USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 548 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 -55:sc= 0.0191 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.231 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 160:sc= 1.28 USER MOD Single : A 14 CYS SG : rot -35:sc= 0.19 USER MOD Single : A 15 SER OG : rot 32:sc= 0.567 USER MOD Single : A 17 TYR OH : rot 165:sc= -0.163 USER MOD Single : A 18 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0132 (180deg=-0.244) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 12:sc= 0.343 USER MOD Single : A 34 GLN : amide:sc= -0.497 K(o=-0.5,f=-2.4) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -0.256 (180deg=-0.492) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -39:sc= -0.183 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -3.14! C(o=-3.1!,f=-2.9!) USER MOD Single : A 71 SER OG : rot 16:sc= 0.56 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 132:sc= 0.165 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.401 -1.577 23.805 1.00 0.00 N ATOM 2 CA GLY A 1 13.208 -2.521 24.890 1.00 0.00 C ATOM 3 C GLY A 1 11.742 -2.766 25.191 1.00 0.00 C ATOM 4 O GLY A 1 11.165 -2.121 26.067 1.00 0.00 O ATOM 0 H1 GLY A 1 14.419 -1.443 23.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.954 -1.945 22.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.969 -0.665 24.057 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.686 -3.467 24.634 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.702 -2.146 25.786 1.00 0.00 H new ATOM 8 N SER A 2 11.138 -3.700 24.463 1.00 0.00 N ATOM 9 CA SER A 2 9.729 -4.025 24.653 1.00 0.00 C ATOM 10 C SER A 2 8.874 -2.761 24.642 1.00 0.00 C ATOM 11 O SER A 2 7.964 -2.607 25.456 1.00 0.00 O ATOM 12 CB SER A 2 9.531 -4.777 25.970 1.00 0.00 C ATOM 13 OG SER A 2 8.309 -5.495 25.968 1.00 0.00 O ATOM 0 H SER A 2 11.602 -4.245 23.736 1.00 0.00 H new ATOM 0 HA SER A 2 9.414 -4.663 23.828 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.361 -5.466 26.128 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.540 -4.071 26.801 1.00 0.00 H new ATOM 0 HG SER A 2 7.571 -4.884 25.763 1.00 0.00 H new ATOM 19 N SER A 3 9.175 -1.859 23.713 1.00 0.00 N ATOM 20 CA SER A 3 8.437 -0.606 23.598 1.00 0.00 C ATOM 21 C SER A 3 7.762 -0.497 22.234 1.00 0.00 C ATOM 22 O SER A 3 6.561 -0.247 22.141 1.00 0.00 O ATOM 23 CB SER A 3 9.374 0.584 23.812 1.00 0.00 C ATOM 24 OG SER A 3 8.742 1.802 23.459 1.00 0.00 O ATOM 0 H SER A 3 9.924 -1.972 23.030 1.00 0.00 H new ATOM 0 HA SER A 3 7.666 -0.595 24.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.686 0.622 24.856 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.276 0.452 23.214 1.00 0.00 H new ATOM 0 HG SER A 3 9.362 2.547 23.607 1.00 0.00 H new ATOM 30 N GLY A 4 8.545 -0.687 21.176 1.00 0.00 N ATOM 31 CA GLY A 4 8.007 -0.606 19.831 1.00 0.00 C ATOM 32 C GLY A 4 6.656 -1.281 19.705 1.00 0.00 C ATOM 33 O GLY A 4 6.570 -2.507 19.644 1.00 0.00 O ATOM 0 H GLY A 4 9.542 -0.896 21.227 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.915 0.441 19.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.707 -1.068 19.135 1.00 0.00 H new ATOM 37 N SER A 5 5.596 -0.479 19.669 1.00 0.00 N ATOM 38 CA SER A 5 4.242 -1.006 19.556 1.00 0.00 C ATOM 39 C SER A 5 3.970 -1.505 18.140 1.00 0.00 C ATOM 40 O SER A 5 3.511 -2.631 17.945 1.00 0.00 O ATOM 41 CB SER A 5 3.220 0.069 19.935 1.00 0.00 C ATOM 42 OG SER A 5 3.209 1.119 18.984 1.00 0.00 O ATOM 0 H SER A 5 5.650 0.538 19.717 1.00 0.00 H new ATOM 0 HA SER A 5 4.147 -1.846 20.244 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.227 -0.376 20.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.457 0.469 20.921 1.00 0.00 H new ATOM 0 HG SER A 5 2.547 1.792 19.247 1.00 0.00 H new ATOM 48 N SER A 6 4.256 -0.660 17.156 1.00 0.00 N ATOM 49 CA SER A 6 4.039 -1.012 15.758 1.00 0.00 C ATOM 50 C SER A 6 5.264 -0.670 14.915 1.00 0.00 C ATOM 51 O SER A 6 5.834 0.413 15.039 1.00 0.00 O ATOM 52 CB SER A 6 2.810 -0.284 15.211 1.00 0.00 C ATOM 53 OG SER A 6 1.614 -0.936 15.603 1.00 0.00 O ATOM 0 H SER A 6 4.639 0.274 17.301 1.00 0.00 H new ATOM 0 HA SER A 6 3.870 -2.087 15.702 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.802 0.744 15.572 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.864 -0.240 14.123 1.00 0.00 H new ATOM 0 HG SER A 6 0.843 -0.450 15.242 1.00 0.00 H new ATOM 59 N GLY A 7 5.663 -1.604 14.056 1.00 0.00 N ATOM 60 CA GLY A 7 6.817 -1.384 13.205 1.00 0.00 C ATOM 61 C GLY A 7 6.431 -0.955 11.803 1.00 0.00 C ATOM 62 O GLY A 7 6.277 0.235 11.530 1.00 0.00 O ATOM 0 H GLY A 7 5.207 -2.508 13.935 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.454 -0.621 13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.405 -2.300 13.152 1.00 0.00 H new ATOM 66 N ALA A 8 6.275 -1.928 10.911 1.00 0.00 N ATOM 67 CA ALA A 8 5.904 -1.645 9.530 1.00 0.00 C ATOM 68 C ALA A 8 4.959 -2.711 8.986 1.00 0.00 C ATOM 69 O ALA A 8 4.723 -3.734 9.630 1.00 0.00 O ATOM 70 CB ALA A 8 7.148 -1.547 8.659 1.00 0.00 C ATOM 0 H ALA A 8 6.400 -2.919 11.120 1.00 0.00 H new ATOM 0 HA ALA A 8 5.382 -0.688 9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.856 -1.335 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.788 -0.745 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.693 -2.491 8.695 1.00 0.00 H new ATOM 76 N THR A 9 4.418 -2.465 7.797 1.00 0.00 N ATOM 77 CA THR A 9 3.496 -3.402 7.168 1.00 0.00 C ATOM 78 C THR A 9 3.871 -3.648 5.711 1.00 0.00 C ATOM 79 O THR A 9 4.230 -2.719 4.987 1.00 0.00 O ATOM 80 CB THR A 9 2.044 -2.892 7.233 1.00 0.00 C ATOM 81 OG1 THR A 9 1.602 -2.846 8.594 1.00 0.00 O ATOM 82 CG2 THR A 9 1.118 -3.789 6.425 1.00 0.00 C ATOM 0 H THR A 9 4.603 -1.624 7.250 1.00 0.00 H new ATOM 0 HA THR A 9 3.570 -4.337 7.723 1.00 0.00 H new ATOM 0 HB THR A 9 2.015 -1.889 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.679 -2.519 8.627 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.098 -3.409 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.439 -3.800 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.152 -4.802 6.826 1.00 0.00 H new ATOM 90 N SER A 10 3.785 -4.905 5.286 1.00 0.00 N ATOM 91 CA SER A 10 4.118 -5.273 3.915 1.00 0.00 C ATOM 92 C SER A 10 2.863 -5.344 3.051 1.00 0.00 C ATOM 93 O SER A 10 1.837 -5.880 3.470 1.00 0.00 O ATOM 94 CB SER A 10 4.847 -6.618 3.889 1.00 0.00 C ATOM 95 OG SER A 10 3.944 -7.691 4.092 1.00 0.00 O ATOM 0 H SER A 10 3.488 -5.685 5.872 1.00 0.00 H new ATOM 0 HA SER A 10 4.774 -4.504 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.355 -6.742 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.615 -6.634 4.662 1.00 0.00 H new ATOM 0 HG SER A 10 4.434 -8.540 4.069 1.00 0.00 H new ATOM 101 N TYR A 11 2.953 -4.800 1.843 1.00 0.00 N ATOM 102 CA TYR A 11 1.824 -4.799 0.919 1.00 0.00 C ATOM 103 C TYR A 11 2.167 -5.555 -0.361 1.00 0.00 C ATOM 104 O TYR A 11 3.318 -5.930 -0.584 1.00 0.00 O ATOM 105 CB TYR A 11 1.414 -3.364 0.583 1.00 0.00 C ATOM 106 CG TYR A 11 0.899 -2.587 1.774 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.743 -2.246 2.823 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.431 -2.193 1.848 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.277 -1.537 3.913 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.906 -1.483 2.934 1.00 0.00 C ATOM 111 CZ TYR A 11 -0.048 -1.157 3.964 1.00 0.00 C ATOM 112 OH TYR A 11 -0.517 -0.449 5.047 1.00 0.00 O ATOM 0 H TYR A 11 3.795 -4.354 1.480 1.00 0.00 H new ATOM 0 HA TYR A 11 0.989 -5.304 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.271 -2.840 0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.643 -3.386 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.781 -2.540 2.786 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.105 -2.446 1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.947 -1.282 4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.943 -1.185 2.976 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.471 -0.259 4.926 1.00 0.00 H new ATOM 122 N MET A 12 1.160 -5.773 -1.199 1.00 0.00 N ATOM 123 CA MET A 12 1.354 -6.482 -2.459 1.00 0.00 C ATOM 124 C MET A 12 1.101 -5.560 -3.647 1.00 0.00 C ATOM 125 O MET A 12 0.131 -4.801 -3.662 1.00 0.00 O ATOM 126 CB MET A 12 0.425 -7.696 -2.534 1.00 0.00 C ATOM 127 CG MET A 12 1.028 -8.960 -1.942 1.00 0.00 C ATOM 128 SD MET A 12 2.567 -9.440 -2.750 1.00 0.00 S ATOM 129 CE MET A 12 1.962 -10.611 -3.962 1.00 0.00 C ATOM 0 H MET A 12 0.201 -5.469 -1.029 1.00 0.00 H new ATOM 0 HA MET A 12 2.389 -6.822 -2.500 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.503 -7.466 -2.010 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.165 -7.881 -3.576 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.213 -8.806 -0.879 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.309 -9.775 -2.026 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.799 -10.998 -4.543 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.461 -11.435 -3.454 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.257 -10.114 -4.628 1.00 0.00 H new ATOM 139 N THR A 13 1.980 -5.629 -4.642 1.00 0.00 N ATOM 140 CA THR A 13 1.853 -4.799 -5.833 1.00 0.00 C ATOM 141 C THR A 13 0.924 -5.444 -6.856 1.00 0.00 C ATOM 142 O THR A 13 1.189 -6.544 -7.342 1.00 0.00 O ATOM 143 CB THR A 13 3.223 -4.544 -6.489 1.00 0.00 C ATOM 144 OG1 THR A 13 3.645 -5.708 -7.209 1.00 0.00 O ATOM 145 CG2 THR A 13 4.265 -4.183 -5.442 1.00 0.00 C ATOM 0 H THR A 13 2.788 -6.252 -4.646 1.00 0.00 H new ATOM 0 HA THR A 13 1.430 -3.847 -5.511 1.00 0.00 H new ATOM 0 HB THR A 13 3.121 -3.707 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.321 -5.455 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.224 -4.007 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.955 -3.280 -4.916 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.364 -5.002 -4.730 1.00 0.00 H new ATOM 153 N CYS A 14 -0.163 -4.753 -7.179 1.00 0.00 N ATOM 154 CA CYS A 14 -1.132 -5.259 -8.145 1.00 0.00 C ATOM 155 C CYS A 14 -0.841 -4.718 -9.541 1.00 0.00 C ATOM 156 O CYS A 14 -1.536 -5.046 -10.502 1.00 0.00 O ATOM 157 CB CYS A 14 -2.552 -4.878 -7.723 1.00 0.00 C ATOM 158 SG CYS A 14 -3.848 -5.603 -8.754 1.00 0.00 S ATOM 0 H CYS A 14 -0.396 -3.841 -6.786 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.048 -6.345 -8.171 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.708 -5.189 -6.690 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.648 -3.793 -7.747 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.437 -5.668 -9.986 1.00 0.00 H new ATOM 164 N SER A 15 0.190 -3.885 -9.644 1.00 0.00 N ATOM 165 CA SER A 15 0.569 -3.294 -10.922 1.00 0.00 C ATOM 166 C SER A 15 2.034 -2.866 -10.909 1.00 0.00 C ATOM 167 O SER A 15 2.602 -2.592 -9.852 1.00 0.00 O ATOM 168 CB SER A 15 -0.322 -2.091 -11.236 1.00 0.00 C ATOM 169 OG SER A 15 -1.522 -2.497 -11.872 1.00 0.00 O ATOM 0 H SER A 15 0.777 -3.604 -8.859 1.00 0.00 H new ATOM 0 HA SER A 15 0.435 -4.049 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.557 -1.558 -10.315 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.216 -1.394 -11.879 1.00 0.00 H new ATOM 0 HG SER A 15 -1.777 -3.388 -11.552 1.00 0.00 H new ATOM 175 N ALA A 16 2.638 -2.811 -12.091 1.00 0.00 N ATOM 176 CA ALA A 16 4.035 -2.415 -12.217 1.00 0.00 C ATOM 177 C ALA A 16 4.181 -0.897 -12.187 1.00 0.00 C ATOM 178 O ALA A 16 3.695 -0.200 -13.078 1.00 0.00 O ATOM 179 CB ALA A 16 4.630 -2.979 -13.499 1.00 0.00 C ATOM 0 H ALA A 16 2.182 -3.036 -12.975 1.00 0.00 H new ATOM 0 HA ALA A 16 4.580 -2.823 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.674 -2.675 -13.580 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.569 -4.067 -13.480 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.074 -2.599 -14.356 1.00 0.00 H new ATOM 185 N TYR A 17 4.850 -0.392 -11.157 1.00 0.00 N ATOM 186 CA TYR A 17 5.056 1.044 -11.010 1.00 0.00 C ATOM 187 C TYR A 17 6.391 1.468 -11.615 1.00 0.00 C ATOM 188 O TYR A 17 7.331 0.677 -11.685 1.00 0.00 O ATOM 189 CB TYR A 17 5.005 1.439 -9.533 1.00 0.00 C ATOM 190 CG TYR A 17 5.670 2.765 -9.238 1.00 0.00 C ATOM 191 CD1 TYR A 17 7.044 2.849 -9.052 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.924 3.933 -9.144 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.656 4.057 -8.781 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.527 5.146 -8.875 1.00 0.00 C ATOM 195 CZ TYR A 17 6.893 5.203 -8.694 1.00 0.00 C ATOM 196 OH TYR A 17 7.499 6.409 -8.425 1.00 0.00 O ATOM 0 H TYR A 17 5.259 -0.955 -10.412 1.00 0.00 H new ATOM 0 HA TYR A 17 4.256 1.556 -11.545 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.964 1.485 -9.214 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.486 0.661 -8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.644 1.954 -9.121 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.854 3.892 -9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.725 4.104 -8.638 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.932 6.045 -8.807 1.00 0.00 H new ATOM 0 HH TYR A 17 6.879 7.140 -8.631 1.00 0.00 H new ATOM 206 N GLN A 18 6.464 2.722 -12.051 1.00 0.00 N ATOM 207 CA GLN A 18 7.683 3.251 -12.651 1.00 0.00 C ATOM 208 C GLN A 18 8.288 4.346 -11.778 1.00 0.00 C ATOM 209 O GLN A 18 7.570 5.165 -11.204 1.00 0.00 O ATOM 210 CB GLN A 18 7.393 3.800 -14.049 1.00 0.00 C ATOM 211 CG GLN A 18 8.639 4.231 -14.804 1.00 0.00 C ATOM 212 CD GLN A 18 9.729 3.177 -14.782 1.00 0.00 C ATOM 213 OE1 GLN A 18 10.830 3.417 -14.287 1.00 0.00 O ATOM 214 NE2 GLN A 18 9.427 2.001 -15.321 1.00 0.00 N ATOM 0 H GLN A 18 5.694 3.389 -12.000 1.00 0.00 H new ATOM 0 HA GLN A 18 8.402 2.435 -12.731 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.873 3.038 -14.629 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.718 4.651 -13.963 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.374 4.453 -15.838 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.022 5.154 -14.368 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.501 1.846 -15.720 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.121 1.253 -15.336 1.00 0.00 H new ATOM 223 N LYS A 19 9.613 4.354 -11.681 1.00 0.00 N ATOM 224 CA LYS A 19 10.316 5.348 -10.879 1.00 0.00 C ATOM 225 C LYS A 19 10.494 6.648 -11.657 1.00 0.00 C ATOM 226 O LYS A 19 11.024 6.651 -12.768 1.00 0.00 O ATOM 227 CB LYS A 19 11.682 4.811 -10.445 1.00 0.00 C ATOM 228 CG LYS A 19 12.512 4.262 -11.593 1.00 0.00 C ATOM 229 CD LYS A 19 13.977 4.132 -11.209 1.00 0.00 C ATOM 230 CE LYS A 19 14.677 5.482 -11.214 1.00 0.00 C ATOM 231 NZ LYS A 19 14.822 6.027 -12.592 1.00 0.00 N ATOM 0 H LYS A 19 10.222 3.683 -12.148 1.00 0.00 H new ATOM 0 HA LYS A 19 9.715 5.554 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.238 5.610 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.535 4.024 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.125 3.287 -11.890 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.418 4.919 -12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.056 3.684 -10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.478 3.459 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.112 6.186 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.662 5.382 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.550 6.770 -12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.103 5.263 -13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.915 6.429 -12.904 1.00 0.00 H new ATOM 245 N VAL A 20 10.048 7.752 -11.065 1.00 0.00 N ATOM 246 CA VAL A 20 10.160 9.059 -11.702 1.00 0.00 C ATOM 247 C VAL A 20 11.525 9.684 -11.437 1.00 0.00 C ATOM 248 O VAL A 20 11.974 10.556 -12.181 1.00 0.00 O ATOM 249 CB VAL A 20 9.063 10.020 -11.207 1.00 0.00 C ATOM 250 CG1 VAL A 20 9.241 10.317 -9.726 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.074 11.305 -12.022 1.00 0.00 C ATOM 0 H VAL A 20 9.606 7.767 -10.146 1.00 0.00 H new ATOM 0 HA VAL A 20 10.038 8.901 -12.774 1.00 0.00 H new ATOM 0 HB VAL A 20 8.094 9.539 -11.342 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.457 10.998 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.179 9.388 -9.159 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.215 10.778 -9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.293 11.973 -11.659 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.044 11.792 -11.920 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.893 11.072 -13.071 1.00 0.00 H new ATOM 261 N GLN A 21 12.181 9.232 -10.373 1.00 0.00 N ATOM 262 CA GLN A 21 13.495 9.748 -10.010 1.00 0.00 C ATOM 263 C GLN A 21 14.349 8.659 -9.368 1.00 0.00 C ATOM 264 O GLN A 21 13.826 7.695 -8.810 1.00 0.00 O ATOM 265 CB GLN A 21 13.355 10.933 -9.053 1.00 0.00 C ATOM 266 CG GLN A 21 13.228 12.273 -9.760 1.00 0.00 C ATOM 267 CD GLN A 21 13.698 13.432 -8.902 1.00 0.00 C ATOM 268 OE1 GLN A 21 14.875 13.523 -8.552 1.00 0.00 O ATOM 269 NE2 GLN A 21 12.778 14.326 -8.558 1.00 0.00 N ATOM 0 H GLN A 21 11.824 8.510 -9.748 1.00 0.00 H new ATOM 0 HA GLN A 21 13.990 10.083 -10.921 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.479 10.779 -8.423 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.222 10.961 -8.392 1.00 0.00 H new ATOM 0 HG2 GLN A 21 13.809 12.250 -10.682 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.188 12.433 -10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.814 14.212 -8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.036 15.127 -7.982 1.00 0.00 H new ATOM 278 N ASP A 22 15.665 8.820 -9.452 1.00 0.00 N ATOM 279 CA ASP A 22 16.592 7.851 -8.878 1.00 0.00 C ATOM 280 C ASP A 22 16.157 7.449 -7.472 1.00 0.00 C ATOM 281 O ASP A 22 16.325 6.300 -7.064 1.00 0.00 O ATOM 282 CB ASP A 22 18.008 8.427 -8.842 1.00 0.00 C ATOM 283 CG ASP A 22 18.175 9.485 -7.769 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.574 10.571 -7.908 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.909 9.229 -6.791 1.00 0.00 O ATOM 0 H ASP A 22 16.114 9.612 -9.912 1.00 0.00 H new ATOM 0 HA ASP A 22 16.586 6.962 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.721 7.621 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.246 8.859 -9.814 1.00 0.00 H new ATOM 290 N SER A 23 15.598 8.404 -6.736 1.00 0.00 N ATOM 291 CA SER A 23 15.143 8.151 -5.373 1.00 0.00 C ATOM 292 C SER A 23 14.092 7.046 -5.348 1.00 0.00 C ATOM 293 O SER A 23 14.077 6.210 -4.444 1.00 0.00 O ATOM 294 CB SER A 23 14.569 9.430 -4.759 1.00 0.00 C ATOM 295 OG SER A 23 15.561 10.438 -4.661 1.00 0.00 O ATOM 0 H SER A 23 15.449 9.360 -7.060 1.00 0.00 H new ATOM 0 HA SER A 23 16.001 7.826 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.740 9.789 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.167 9.213 -3.769 1.00 0.00 H new ATOM 0 HG SER A 23 15.169 11.245 -4.267 1.00 0.00 H new ATOM 301 N GLU A 24 13.215 7.048 -6.346 1.00 0.00 N ATOM 302 CA GLU A 24 12.159 6.046 -6.438 1.00 0.00 C ATOM 303 C GLU A 24 12.669 4.781 -7.122 1.00 0.00 C ATOM 304 O GLU A 24 13.720 4.790 -7.763 1.00 0.00 O ATOM 305 CB GLU A 24 10.959 6.606 -7.205 1.00 0.00 C ATOM 306 CG GLU A 24 10.244 7.732 -6.478 1.00 0.00 C ATOM 307 CD GLU A 24 10.836 9.094 -6.786 1.00 0.00 C ATOM 308 OE1 GLU A 24 12.078 9.195 -6.868 1.00 0.00 O ATOM 309 OE2 GLU A 24 10.058 10.057 -6.945 1.00 0.00 O ATOM 0 H GLU A 24 13.214 7.732 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 24 11.846 5.790 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.296 6.968 -8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.251 5.799 -7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.190 7.727 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.292 7.554 -5.404 1.00 0.00 H new ATOM 316 N ILE A 25 11.917 3.694 -6.979 1.00 0.00 N ATOM 317 CA ILE A 25 12.292 2.422 -7.583 1.00 0.00 C ATOM 318 C ILE A 25 11.091 1.751 -8.241 1.00 0.00 C ATOM 319 O ILE A 25 9.985 1.766 -7.700 1.00 0.00 O ATOM 320 CB ILE A 25 12.896 1.461 -6.541 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.790 0.014 -7.029 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.197 1.626 -5.200 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.439 -0.614 -6.768 1.00 0.00 C ATOM 0 H ILE A 25 11.045 3.669 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 25 13.043 2.642 -8.342 1.00 0.00 H new ATOM 0 HB ILE A 25 13.950 1.705 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.995 -0.016 -8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.560 -0.583 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.635 0.940 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.319 2.651 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.136 1.405 -5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.436 -1.639 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.240 -0.616 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.666 -0.040 -7.280 1.00 0.00 H new ATOM 335 N SER A 26 11.317 1.161 -9.410 1.00 0.00 N ATOM 336 CA SER A 26 10.253 0.486 -10.144 1.00 0.00 C ATOM 337 C SER A 26 10.294 -1.019 -9.896 1.00 0.00 C ATOM 338 O SER A 26 11.338 -1.656 -10.037 1.00 0.00 O ATOM 339 CB SER A 26 10.378 0.771 -11.642 1.00 0.00 C ATOM 340 OG SER A 26 11.472 0.070 -12.206 1.00 0.00 O ATOM 0 H SER A 26 12.227 1.137 -9.869 1.00 0.00 H new ATOM 0 HA SER A 26 9.298 0.870 -9.787 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.457 0.482 -12.148 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.507 1.841 -11.802 1.00 0.00 H new ATOM 0 HG SER A 26 11.802 -0.593 -11.564 1.00 0.00 H new ATOM 346 N PHE A 27 9.148 -1.582 -9.526 1.00 0.00 N ATOM 347 CA PHE A 27 9.051 -3.012 -9.258 1.00 0.00 C ATOM 348 C PHE A 27 7.981 -3.659 -10.132 1.00 0.00 C ATOM 349 O PHE A 27 7.053 -3.004 -10.608 1.00 0.00 O ATOM 350 CB PHE A 27 8.733 -3.255 -7.781 1.00 0.00 C ATOM 351 CG PHE A 27 7.676 -2.337 -7.236 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.348 -2.498 -7.595 1.00 0.00 C ATOM 353 CD2 PHE A 27 8.011 -1.312 -6.366 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.372 -1.656 -7.096 1.00 0.00 C ATOM 355 CE2 PHE A 27 7.040 -0.466 -5.864 1.00 0.00 C ATOM 356 CZ PHE A 27 5.719 -0.638 -6.230 1.00 0.00 C ATOM 0 H PHE A 27 8.274 -1.070 -9.405 1.00 0.00 H new ATOM 0 HA PHE A 27 10.013 -3.466 -9.496 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.407 -4.287 -7.653 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.645 -3.133 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.072 -3.292 -8.273 1.00 0.00 H new ATOM 0 HD2 PHE A 27 9.042 -1.173 -6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.340 -1.794 -7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.314 0.329 -5.186 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.959 0.023 -5.839 1.00 0.00 H new ATOM 366 N PRO A 28 8.112 -4.976 -10.351 1.00 0.00 N ATOM 367 CA PRO A 28 7.166 -5.740 -11.169 1.00 0.00 C ATOM 368 C PRO A 28 5.805 -5.887 -10.497 1.00 0.00 C ATOM 369 O PRO A 28 5.651 -5.587 -9.314 1.00 0.00 O ATOM 370 CB PRO A 28 7.843 -7.106 -11.311 1.00 0.00 C ATOM 371 CG PRO A 28 8.725 -7.217 -10.116 1.00 0.00 C ATOM 372 CD PRO A 28 9.193 -5.820 -9.815 1.00 0.00 C ATOM 0 HA PRO A 28 6.961 -5.249 -12.121 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.109 -7.911 -11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.418 -7.169 -12.235 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.183 -7.638 -9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.569 -7.877 -10.314 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.332 -5.664 -8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.147 -5.604 -10.295 1.00 0.00 H new ATOM 380 N ALA A 29 4.821 -6.352 -11.260 1.00 0.00 N ATOM 381 CA ALA A 29 3.473 -6.541 -10.737 1.00 0.00 C ATOM 382 C ALA A 29 3.283 -7.959 -10.209 1.00 0.00 C ATOM 383 O ALA A 29 3.144 -8.906 -10.982 1.00 0.00 O ATOM 384 CB ALA A 29 2.442 -6.234 -11.812 1.00 0.00 C ATOM 0 H ALA A 29 4.932 -6.605 -12.242 1.00 0.00 H new ATOM 0 HA ALA A 29 3.332 -5.850 -9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.440 -6.379 -11.408 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.555 -5.201 -12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.591 -6.902 -12.660 1.00 0.00 H new ATOM 390 N GLY A 30 3.280 -8.098 -8.887 1.00 0.00 N ATOM 391 CA GLY A 30 3.107 -9.405 -8.279 1.00 0.00 C ATOM 392 C GLY A 30 4.175 -9.709 -7.247 1.00 0.00 C ATOM 393 O GLY A 30 4.574 -10.862 -7.077 1.00 0.00 O ATOM 0 H GLY A 30 3.394 -7.330 -8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.125 -9.456 -7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.128 -10.170 -9.056 1.00 0.00 H new ATOM 397 N VAL A 31 4.640 -8.674 -6.555 1.00 0.00 N ATOM 398 CA VAL A 31 5.668 -8.836 -5.534 1.00 0.00 C ATOM 399 C VAL A 31 5.289 -8.105 -4.251 1.00 0.00 C ATOM 400 O VAL A 31 4.493 -7.167 -4.273 1.00 0.00 O ATOM 401 CB VAL A 31 7.033 -8.316 -6.025 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.604 -9.239 -7.090 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.902 -6.895 -6.552 1.00 0.00 C ATOM 0 H VAL A 31 4.321 -7.714 -6.683 1.00 0.00 H new ATOM 0 HA VAL A 31 5.746 -9.904 -5.330 1.00 0.00 H new ATOM 0 HB VAL A 31 7.724 -8.304 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.568 -8.856 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.735 -10.238 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.919 -9.286 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.875 -6.543 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.197 -6.879 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.540 -6.244 -5.756 1.00 0.00 H new ATOM 413 N GLU A 32 5.865 -8.541 -3.136 1.00 0.00 N ATOM 414 CA GLU A 32 5.587 -7.927 -1.843 1.00 0.00 C ATOM 415 C GLU A 32 6.628 -6.862 -1.511 1.00 0.00 C ATOM 416 O GLU A 32 7.800 -6.993 -1.861 1.00 0.00 O ATOM 417 CB GLU A 32 5.562 -8.991 -0.743 1.00 0.00 C ATOM 418 CG GLU A 32 4.679 -8.625 0.438 1.00 0.00 C ATOM 419 CD GLU A 32 4.405 -9.805 1.350 1.00 0.00 C ATOM 420 OE1 GLU A 32 5.357 -10.554 1.653 1.00 0.00 O ATOM 421 OE2 GLU A 32 3.239 -9.978 1.761 1.00 0.00 O ATOM 0 H GLU A 32 6.527 -9.317 -3.102 1.00 0.00 H new ATOM 0 HA GLU A 32 4.609 -7.449 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.214 -9.933 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.579 -9.158 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.157 -7.831 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.733 -8.228 0.070 1.00 0.00 H new ATOM 428 N VAL A 33 6.189 -5.806 -0.833 1.00 0.00 N ATOM 429 CA VAL A 33 7.081 -4.717 -0.453 1.00 0.00 C ATOM 430 C VAL A 33 6.830 -4.276 0.985 1.00 0.00 C ATOM 431 O VAL A 33 5.837 -4.667 1.599 1.00 0.00 O ATOM 432 CB VAL A 33 6.916 -3.503 -1.386 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.586 -3.765 -2.726 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.442 -3.173 -1.573 1.00 0.00 C ATOM 0 H VAL A 33 5.221 -5.682 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 33 8.099 -5.098 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 33 7.403 -2.643 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.459 -2.896 -3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.649 -3.950 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.131 -4.637 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.343 -2.313 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.930 -4.029 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.996 -2.940 -0.606 1.00 0.00 H new ATOM 444 N GLN A 34 7.735 -3.461 1.515 1.00 0.00 N ATOM 445 CA GLN A 34 7.611 -2.967 2.882 1.00 0.00 C ATOM 446 C GLN A 34 7.425 -1.453 2.899 1.00 0.00 C ATOM 447 O GLN A 34 8.180 -0.718 2.263 1.00 0.00 O ATOM 448 CB GLN A 34 8.845 -3.351 3.700 1.00 0.00 C ATOM 449 CG GLN A 34 8.650 -3.204 5.200 1.00 0.00 C ATOM 450 CD GLN A 34 8.106 -4.464 5.844 1.00 0.00 C ATOM 451 OE1 GLN A 34 7.429 -5.263 5.197 1.00 0.00 O ATOM 452 NE2 GLN A 34 8.400 -4.648 7.126 1.00 0.00 N ATOM 0 H GLN A 34 8.562 -3.128 1.020 1.00 0.00 H new ATOM 0 HA GLN A 34 6.730 -3.428 3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.112 -4.384 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.685 -2.730 3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.603 -2.946 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.967 -2.377 5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.965 -3.960 7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.061 -5.478 7.613 1.00 0.00 H new ATOM 461 N VAL A 35 6.415 -0.994 3.631 1.00 0.00 N ATOM 462 CA VAL A 35 6.130 0.432 3.732 1.00 0.00 C ATOM 463 C VAL A 35 6.832 1.049 4.937 1.00 0.00 C ATOM 464 O VAL A 35 6.355 0.943 6.068 1.00 0.00 O ATOM 465 CB VAL A 35 4.617 0.696 3.842 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.354 2.147 4.214 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.918 0.336 2.540 1.00 0.00 C ATOM 0 H VAL A 35 5.780 -1.589 4.163 1.00 0.00 H new ATOM 0 HA VAL A 35 6.506 0.895 2.820 1.00 0.00 H new ATOM 0 HB VAL A 35 4.212 0.064 4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.279 2.315 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.822 2.367 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.772 2.800 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.849 0.529 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.325 0.941 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.078 -0.720 2.321 1.00 0.00 H new ATOM 477 N LEU A 36 7.967 1.693 4.688 1.00 0.00 N ATOM 478 CA LEU A 36 8.735 2.328 5.753 1.00 0.00 C ATOM 479 C LEU A 36 7.935 3.450 6.408 1.00 0.00 C ATOM 480 O LEU A 36 7.786 3.487 7.629 1.00 0.00 O ATOM 481 CB LEU A 36 10.050 2.880 5.200 1.00 0.00 C ATOM 482 CG LEU A 36 10.989 1.859 4.557 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.241 2.543 4.029 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.354 0.769 5.553 1.00 0.00 C ATOM 0 H LEU A 36 8.376 1.789 3.758 1.00 0.00 H new ATOM 0 HA LEU A 36 8.953 1.574 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.817 3.646 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.584 3.374 6.012 1.00 0.00 H new ATOM 0 HG LEU A 36 10.471 1.397 3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.897 1.801 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.962 3.286 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.762 3.033 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.023 0.051 5.078 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.852 1.215 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.449 0.259 5.882 1.00 0.00 H new ATOM 496 N GLU A 37 7.420 4.360 5.587 1.00 0.00 N ATOM 497 CA GLU A 37 6.634 5.481 6.087 1.00 0.00 C ATOM 498 C GLU A 37 5.551 5.876 5.086 1.00 0.00 C ATOM 499 O GLU A 37 5.626 5.533 3.906 1.00 0.00 O ATOM 500 CB GLU A 37 7.540 6.680 6.374 1.00 0.00 C ATOM 501 CG GLU A 37 6.837 7.813 7.103 1.00 0.00 C ATOM 502 CD GLU A 37 6.382 7.418 8.495 1.00 0.00 C ATOM 503 OE1 GLU A 37 7.206 6.868 9.255 1.00 0.00 O ATOM 504 OE2 GLU A 37 5.202 7.659 8.824 1.00 0.00 O ATOM 0 H GLU A 37 7.533 4.343 4.573 1.00 0.00 H new ATOM 0 HA GLU A 37 6.152 5.169 7.013 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.390 6.348 6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.939 7.057 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.510 8.667 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.974 8.135 6.520 1.00 0.00 H new ATOM 511 N LYS A 38 4.544 6.597 5.567 1.00 0.00 N ATOM 512 CA LYS A 38 3.446 7.040 4.717 1.00 0.00 C ATOM 513 C LYS A 38 3.282 8.555 4.785 1.00 0.00 C ATOM 514 O LYS A 38 3.381 9.151 5.857 1.00 0.00 O ATOM 515 CB LYS A 38 2.142 6.357 5.136 1.00 0.00 C ATOM 516 CG LYS A 38 2.107 4.871 4.823 1.00 0.00 C ATOM 517 CD LYS A 38 0.792 4.242 5.252 1.00 0.00 C ATOM 518 CE LYS A 38 0.899 2.726 5.332 1.00 0.00 C ATOM 519 NZ LYS A 38 1.798 2.291 6.436 1.00 0.00 N ATOM 0 H LYS A 38 4.466 6.887 6.542 1.00 0.00 H new ATOM 0 HA LYS A 38 3.681 6.763 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.995 6.498 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.308 6.846 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.252 4.720 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.933 4.372 5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.497 4.639 6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.009 4.516 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.093 2.299 5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.273 2.338 4.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.488 1.604 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.301 3.116 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.234 1.849 7.189 1.00 0.00 H new ATOM 533 N GLN A 39 3.030 9.171 3.634 1.00 0.00 N ATOM 534 CA GLN A 39 2.852 10.616 3.564 1.00 0.00 C ATOM 535 C GLN A 39 1.391 10.973 3.306 1.00 0.00 C ATOM 536 O GLN A 39 0.788 10.499 2.344 1.00 0.00 O ATOM 537 CB GLN A 39 3.735 11.207 2.464 1.00 0.00 C ATOM 538 CG GLN A 39 5.217 11.196 2.803 1.00 0.00 C ATOM 539 CD GLN A 39 5.623 12.358 3.687 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.976 13.432 3.198 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.575 12.150 4.998 1.00 0.00 N ATOM 0 H GLN A 39 2.945 8.692 2.738 1.00 0.00 H new ATOM 0 HA GLN A 39 3.147 11.040 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.577 10.647 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.422 12.233 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.464 10.260 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.797 11.227 1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.276 11.244 5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.837 12.896 5.643 1.00 0.00 H new ATOM 550 N GLU A 40 0.830 11.810 4.173 1.00 0.00 N ATOM 551 CA GLU A 40 -0.560 12.228 4.039 1.00 0.00 C ATOM 552 C GLU A 40 -0.898 12.534 2.582 1.00 0.00 C ATOM 553 O GLU A 40 -2.000 12.244 2.115 1.00 0.00 O ATOM 554 CB GLU A 40 -0.832 13.460 4.906 1.00 0.00 C ATOM 555 CG GLU A 40 -0.025 14.681 4.498 1.00 0.00 C ATOM 556 CD GLU A 40 -0.023 15.761 5.562 1.00 0.00 C ATOM 557 OE1 GLU A 40 -1.034 16.486 5.675 1.00 0.00 O ATOM 558 OE2 GLU A 40 0.990 15.881 6.283 1.00 0.00 O ATOM 0 H GLU A 40 1.316 12.211 4.975 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.193 11.408 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.893 13.703 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.610 13.219 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.002 14.380 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.432 15.089 3.573 1.00 0.00 H new ATOM 565 N SER A 41 0.058 13.121 1.870 1.00 0.00 N ATOM 566 CA SER A 41 -0.139 13.471 0.468 1.00 0.00 C ATOM 567 C SER A 41 -0.736 12.299 -0.306 1.00 0.00 C ATOM 568 O SER A 41 -1.784 12.426 -0.937 1.00 0.00 O ATOM 569 CB SER A 41 1.188 13.892 -0.166 1.00 0.00 C ATOM 570 OG SER A 41 1.626 15.138 0.347 1.00 0.00 O ATOM 0 H SER A 41 0.977 13.364 2.240 1.00 0.00 H new ATOM 0 HA SER A 41 -0.837 14.307 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.944 13.130 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.072 13.961 -1.248 1.00 0.00 H new ATOM 0 HG SER A 41 2.477 15.384 -0.073 1.00 0.00 H new ATOM 576 N GLY A 42 -0.059 11.155 -0.251 1.00 0.00 N ATOM 577 CA GLY A 42 -0.536 9.976 -0.950 1.00 0.00 C ATOM 578 C GLY A 42 0.580 9.003 -1.274 1.00 0.00 C ATOM 579 O GLY A 42 0.367 7.791 -1.302 1.00 0.00 O ATOM 0 H GLY A 42 0.811 11.024 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.286 9.474 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.029 10.280 -1.874 1.00 0.00 H new ATOM 583 N TRP A 43 1.772 9.534 -1.521 1.00 0.00 N ATOM 584 CA TRP A 43 2.926 8.703 -1.846 1.00 0.00 C ATOM 585 C TRP A 43 3.523 8.083 -0.588 1.00 0.00 C ATOM 586 O TRP A 43 3.790 8.779 0.392 1.00 0.00 O ATOM 587 CB TRP A 43 3.987 9.530 -2.574 1.00 0.00 C ATOM 588 CG TRP A 43 3.592 9.905 -3.971 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.708 10.879 -4.339 1.00 0.00 C ATOM 590 CD2 TRP A 43 4.066 9.311 -5.184 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.605 10.926 -5.708 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.428 9.975 -6.250 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.969 8.285 -5.474 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.665 9.644 -7.582 1.00 0.00 C ATOM 595 CZ3 TRP A 43 5.203 7.957 -6.796 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.554 8.635 -7.836 1.00 0.00 C ATOM 0 H TRP A 43 1.965 10.535 -1.503 1.00 0.00 H new ATOM 0 HA TRP A 43 2.590 7.899 -2.500 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.184 10.438 -2.004 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.919 8.965 -2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.170 11.518 -3.655 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.011 11.566 -6.236 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.475 7.758 -4.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.165 10.165 -8.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.898 7.165 -7.031 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.759 8.356 -8.859 1.00 0.00 H new ATOM 607 N TRP A 44 3.730 6.771 -0.621 1.00 0.00 N ATOM 608 CA TRP A 44 4.296 6.058 0.518 1.00 0.00 C ATOM 609 C TRP A 44 5.682 5.516 0.187 1.00 0.00 C ATOM 610 O TRP A 44 5.933 5.069 -0.932 1.00 0.00 O ATOM 611 CB TRP A 44 3.374 4.913 0.938 1.00 0.00 C ATOM 612 CG TRP A 44 1.983 5.361 1.269 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.553 6.647 1.434 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.839 4.524 1.478 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.212 6.660 1.733 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.249 5.371 1.764 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.629 3.143 1.448 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.527 4.879 2.020 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.639 2.657 1.703 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.704 3.523 1.985 1.00 0.00 C ATOM 0 H TRP A 44 3.514 6.180 -1.424 1.00 0.00 H new ATOM 0 HA TRP A 44 4.390 6.762 1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.330 4.178 0.134 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.802 4.411 1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.176 7.525 1.343 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.349 7.494 1.904 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.443 2.468 1.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.349 5.545 2.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.812 1.591 1.685 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.684 3.112 2.178 1.00 0.00 H new ATOM 631 N TYR A 45 6.578 5.558 1.167 1.00 0.00 N ATOM 632 CA TYR A 45 7.940 5.073 0.978 1.00 0.00 C ATOM 633 C TYR A 45 8.003 3.556 1.121 1.00 0.00 C ATOM 634 O TYR A 45 7.843 3.017 2.216 1.00 0.00 O ATOM 635 CB TYR A 45 8.883 5.731 1.987 1.00 0.00 C ATOM 636 CG TYR A 45 10.335 5.705 1.565 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.716 6.103 0.289 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.326 5.281 2.442 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.041 6.080 -0.100 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.654 5.256 2.061 1.00 0.00 C ATOM 641 CZ TYR A 45 13.006 5.656 0.789 1.00 0.00 C ATOM 642 OH TYR A 45 14.327 5.632 0.405 1.00 0.00 O ATOM 0 H TYR A 45 6.386 5.923 2.100 1.00 0.00 H new ATOM 0 HA TYR A 45 8.256 5.338 -0.031 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.576 6.766 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.783 5.226 2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.963 6.436 -0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.054 4.966 3.438 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.320 6.393 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.412 4.925 2.755 1.00 0.00 H new ATOM 0 HH TYR A 45 14.392 5.327 -0.524 1.00 0.00 H new ATOM 652 N VAL A 46 8.238 2.872 0.006 1.00 0.00 N ATOM 653 CA VAL A 46 8.324 1.416 0.005 1.00 0.00 C ATOM 654 C VAL A 46 9.768 0.951 -0.140 1.00 0.00 C ATOM 655 O VAL A 46 10.638 1.716 -0.557 1.00 0.00 O ATOM 656 CB VAL A 46 7.482 0.804 -1.130 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.035 0.636 -0.692 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.572 1.664 -2.382 1.00 0.00 C ATOM 0 H VAL A 46 8.372 3.303 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 46 7.930 1.075 0.963 1.00 0.00 H new ATOM 0 HB VAL A 46 7.882 -0.183 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.456 0.202 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.991 -0.023 0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.619 1.609 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.971 1.217 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.199 2.665 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.611 1.727 -2.706 1.00 0.00 H new ATOM 668 N ARG A 47 10.016 -0.308 0.205 1.00 0.00 N ATOM 669 CA ARG A 47 11.356 -0.876 0.114 1.00 0.00 C ATOM 670 C ARG A 47 11.344 -2.170 -0.694 1.00 0.00 C ATOM 671 O ARG A 47 10.652 -3.127 -0.343 1.00 0.00 O ATOM 672 CB ARG A 47 11.918 -1.140 1.512 1.00 0.00 C ATOM 673 CG ARG A 47 13.162 -2.013 1.514 1.00 0.00 C ATOM 674 CD ARG A 47 13.670 -2.255 2.927 1.00 0.00 C ATOM 675 NE ARG A 47 14.429 -1.117 3.438 1.00 0.00 N ATOM 676 CZ ARG A 47 14.934 -1.062 4.665 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.763 -2.076 5.502 1.00 0.00 N ATOM 678 NH2 ARG A 47 15.613 0.009 5.057 1.00 0.00 N ATOM 0 H ARG A 47 9.307 -0.954 0.550 1.00 0.00 H new ATOM 0 HA ARG A 47 11.995 -0.155 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.153 -0.187 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.149 -1.617 2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.939 -2.968 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.943 -1.537 0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.825 -2.453 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.299 -3.145 2.939 1.00 0.00 H new ATOM 0 HE ARG A 47 14.580 -0.321 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.242 -2.901 5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.152 -2.031 6.444 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.747 0.791 4.416 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.000 0.050 6.000 1.00 0.00 H new ATOM 692 N PHE A 48 12.114 -2.193 -1.777 1.00 0.00 N ATOM 693 CA PHE A 48 12.191 -3.369 -2.635 1.00 0.00 C ATOM 694 C PHE A 48 13.617 -3.909 -2.692 1.00 0.00 C ATOM 695 O PHE A 48 14.420 -3.487 -3.523 1.00 0.00 O ATOM 696 CB PHE A 48 11.706 -3.030 -4.046 1.00 0.00 C ATOM 697 CG PHE A 48 11.536 -4.234 -4.928 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.869 -5.358 -4.467 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.042 -4.242 -6.218 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.712 -6.467 -5.276 1.00 0.00 C ATOM 701 CE2 PHE A 48 11.887 -5.348 -7.031 1.00 0.00 C ATOM 702 CZ PHE A 48 11.221 -6.462 -6.560 1.00 0.00 C ATOM 0 H PHE A 48 12.693 -1.410 -2.081 1.00 0.00 H new ATOM 0 HA PHE A 48 11.546 -4.139 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.754 -2.503 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.416 -2.346 -4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.468 -5.367 -3.464 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.564 -3.373 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.192 -7.337 -4.905 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.286 -5.341 -8.034 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.098 -7.328 -7.194 1.00 0.00 H new ATOM 712 N GLY A 49 13.925 -4.846 -1.799 1.00 0.00 N ATOM 713 CA GLY A 49 15.253 -5.428 -1.763 1.00 0.00 C ATOM 714 C GLY A 49 16.290 -4.473 -1.206 1.00 0.00 C ATOM 715 O GLY A 49 16.091 -3.880 -0.146 1.00 0.00 O ATOM 0 H GLY A 49 13.278 -5.212 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.233 -6.333 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.543 -5.727 -2.770 1.00 0.00 H new ATOM 719 N GLU A 50 17.401 -4.324 -1.921 1.00 0.00 N ATOM 720 CA GLU A 50 18.473 -3.435 -1.490 1.00 0.00 C ATOM 721 C GLU A 50 18.236 -2.013 -1.990 1.00 0.00 C ATOM 722 O GLU A 50 19.182 -1.264 -2.237 1.00 0.00 O ATOM 723 CB GLU A 50 19.824 -3.947 -1.995 1.00 0.00 C ATOM 724 CG GLU A 50 21.015 -3.277 -1.332 1.00 0.00 C ATOM 725 CD GLU A 50 21.478 -4.008 -0.086 1.00 0.00 C ATOM 726 OE1 GLU A 50 20.614 -4.514 0.660 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.704 -4.075 0.141 1.00 0.00 O ATOM 0 H GLU A 50 17.582 -4.807 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 50 18.482 -3.421 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.882 -5.022 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.883 -3.790 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.839 -3.222 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.751 -2.252 -1.070 1.00 0.00 H new ATOM 734 N LEU A 51 16.968 -1.649 -2.138 1.00 0.00 N ATOM 735 CA LEU A 51 16.605 -0.317 -2.610 1.00 0.00 C ATOM 736 C LEU A 51 15.287 0.139 -1.992 1.00 0.00 C ATOM 737 O LEU A 51 14.462 -0.681 -1.590 1.00 0.00 O ATOM 738 CB LEU A 51 16.496 -0.306 -4.136 1.00 0.00 C ATOM 739 CG LEU A 51 17.710 -0.838 -4.898 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.297 -1.348 -6.270 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.775 0.242 -5.027 1.00 0.00 C ATOM 0 H LEU A 51 16.174 -2.257 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 51 17.389 0.376 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.625 -0.895 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.309 0.718 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 51 18.132 -1.670 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.174 -1.723 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.571 -2.153 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.850 -0.534 -6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.631 -0.155 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.365 1.095 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 51 19.093 0.560 -4.034 1.00 0.00 H new ATOM 753 N GLU A 52 15.095 1.453 -1.922 1.00 0.00 N ATOM 754 CA GLU A 52 13.876 2.017 -1.354 1.00 0.00 C ATOM 755 C GLU A 52 13.376 3.188 -2.195 1.00 0.00 C ATOM 756 O GLU A 52 14.119 4.128 -2.474 1.00 0.00 O ATOM 757 CB GLU A 52 14.121 2.476 0.085 1.00 0.00 C ATOM 758 CG GLU A 52 14.629 1.372 0.997 1.00 0.00 C ATOM 759 CD GLU A 52 15.307 1.910 2.242 1.00 0.00 C ATOM 760 OE1 GLU A 52 14.657 2.666 2.994 1.00 0.00 O ATOM 761 OE2 GLU A 52 16.490 1.574 2.464 1.00 0.00 O ATOM 0 H GLU A 52 15.767 2.146 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 52 13.112 1.239 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.843 3.292 0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.192 2.875 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.795 0.734 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.332 0.746 0.447 1.00 0.00 H new ATOM 768 N GLY A 53 12.109 3.123 -2.596 1.00 0.00 N ATOM 769 CA GLY A 53 11.531 4.183 -3.401 1.00 0.00 C ATOM 770 C GLY A 53 10.138 4.566 -2.941 1.00 0.00 C ATOM 771 O GLY A 53 9.527 3.862 -2.137 1.00 0.00 O ATOM 0 H GLY A 53 11.474 2.356 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.178 5.060 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.492 3.864 -4.442 1.00 0.00 H new ATOM 775 N TRP A 54 9.636 5.685 -3.451 1.00 0.00 N ATOM 776 CA TRP A 54 8.306 6.161 -3.086 1.00 0.00 C ATOM 777 C TRP A 54 7.269 5.717 -4.111 1.00 0.00 C ATOM 778 O TRP A 54 7.254 6.200 -5.242 1.00 0.00 O ATOM 779 CB TRP A 54 8.303 7.686 -2.967 1.00 0.00 C ATOM 780 CG TRP A 54 9.080 8.191 -1.789 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.407 8.514 -1.761 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.579 8.430 -0.469 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.760 8.939 -0.502 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.657 8.897 0.308 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.324 8.296 0.131 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.516 9.229 1.652 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.186 8.625 1.466 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.276 9.088 2.214 1.00 0.00 C ATOM 0 H TRP A 54 10.129 6.279 -4.118 1.00 0.00 H new ATOM 0 HA TRP A 54 8.044 5.728 -2.121 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.719 8.115 -3.879 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.273 8.035 -2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.079 8.446 -2.603 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.693 9.237 -0.217 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.477 7.942 -0.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.355 9.585 2.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.221 8.523 1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.135 9.339 3.255 1.00 0.00 H new ATOM 799 N ALA A 55 6.402 4.794 -3.707 1.00 0.00 N ATOM 800 CA ALA A 55 5.359 4.286 -4.590 1.00 0.00 C ATOM 801 C ALA A 55 3.973 4.664 -4.078 1.00 0.00 C ATOM 802 O ALA A 55 3.731 4.742 -2.874 1.00 0.00 O ATOM 803 CB ALA A 55 5.478 2.776 -4.734 1.00 0.00 C ATOM 0 H ALA A 55 6.401 4.383 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 55 5.492 4.744 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.693 2.411 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.452 2.526 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.374 2.308 -3.755 1.00 0.00 H new ATOM 809 N PRO A 56 3.042 4.905 -5.012 1.00 0.00 N ATOM 810 CA PRO A 56 1.664 5.279 -4.678 1.00 0.00 C ATOM 811 C PRO A 56 0.884 4.125 -4.058 1.00 0.00 C ATOM 812 O PRO A 56 1.032 2.973 -4.466 1.00 0.00 O ATOM 813 CB PRO A 56 1.063 5.664 -6.032 1.00 0.00 C ATOM 814 CG PRO A 56 1.870 4.912 -7.033 1.00 0.00 C ATOM 815 CD PRO A 56 3.261 4.830 -6.466 1.00 0.00 C ATOM 0 HA PRO A 56 1.627 6.077 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.009 5.392 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.125 6.739 -6.201 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.457 3.917 -7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.871 5.422 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.757 3.902 -6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.888 5.648 -6.821 1.00 0.00 H new ATOM 823 N SER A 57 0.053 4.441 -3.070 1.00 0.00 N ATOM 824 CA SER A 57 -0.748 3.430 -2.391 1.00 0.00 C ATOM 825 C SER A 57 -1.782 2.830 -3.339 1.00 0.00 C ATOM 826 O SER A 57 -2.468 1.865 -2.998 1.00 0.00 O ATOM 827 CB SER A 57 -1.447 4.035 -1.173 1.00 0.00 C ATOM 828 OG SER A 57 -2.474 4.928 -1.565 1.00 0.00 O ATOM 0 H SER A 57 -0.083 5.390 -2.722 1.00 0.00 H new ATOM 0 HA SER A 57 -0.080 2.635 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.868 3.239 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.719 4.562 -0.556 1.00 0.00 H new ATOM 0 HG SER A 57 -2.906 5.300 -0.768 1.00 0.00 H new ATOM 834 N HIS A 58 -1.890 3.408 -4.531 1.00 0.00 N ATOM 835 CA HIS A 58 -2.840 2.932 -5.529 1.00 0.00 C ATOM 836 C HIS A 58 -2.376 1.609 -6.132 1.00 0.00 C ATOM 837 O HIS A 58 -3.192 0.753 -6.477 1.00 0.00 O ATOM 838 CB HIS A 58 -3.018 3.974 -6.634 1.00 0.00 C ATOM 839 CG HIS A 58 -3.415 5.325 -6.123 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.540 6.388 -6.046 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.603 5.784 -5.664 1.00 0.00 C ATOM 842 CE1 HIS A 58 -3.172 7.441 -5.560 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.426 7.101 -5.321 1.00 0.00 N ATOM 0 H HIS A 58 -1.331 4.207 -4.829 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.798 2.771 -5.035 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.085 4.065 -7.191 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.775 3.623 -7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.520 5.219 -5.583 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.737 8.415 -5.387 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.146 7.717 -4.943 1.00 0.00 H new ATOM 852 N TYR A 59 -1.064 1.449 -6.257 1.00 0.00 N ATOM 853 CA TYR A 59 -0.492 0.232 -6.822 1.00 0.00 C ATOM 854 C TYR A 59 -0.467 -0.888 -5.787 1.00 0.00 C ATOM 855 O TYR A 59 -0.472 -2.070 -6.134 1.00 0.00 O ATOM 856 CB TYR A 59 0.924 0.499 -7.335 1.00 0.00 C ATOM 857 CG TYR A 59 0.963 1.320 -8.605 1.00 0.00 C ATOM 858 CD1 TYR A 59 0.305 2.542 -8.686 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.656 0.874 -9.723 1.00 0.00 C ATOM 860 CE1 TYR A 59 0.337 3.295 -9.843 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.695 1.622 -10.884 1.00 0.00 C ATOM 862 CZ TYR A 59 1.034 2.831 -10.940 1.00 0.00 C ATOM 863 OH TYR A 59 1.069 3.577 -12.095 1.00 0.00 O ATOM 0 H TYR A 59 -0.376 2.147 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.120 -0.081 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.491 1.016 -6.561 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.423 -0.454 -7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.241 2.909 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.173 -0.073 -9.684 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.181 4.242 -9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.241 1.262 -11.744 1.00 0.00 H new ATOM 0 HH TYR A 59 1.603 3.109 -12.771 1.00 0.00 H new ATOM 873 N LEU A 60 -0.440 -0.509 -4.514 1.00 0.00 N ATOM 874 CA LEU A 60 -0.414 -1.481 -3.427 1.00 0.00 C ATOM 875 C LEU A 60 -1.829 -1.884 -3.024 1.00 0.00 C ATOM 876 O LEU A 60 -2.772 -1.105 -3.164 1.00 0.00 O ATOM 877 CB LEU A 60 0.327 -0.905 -2.219 1.00 0.00 C ATOM 878 CG LEU A 60 1.739 -0.381 -2.485 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.140 0.635 -1.428 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.735 -1.531 -2.527 1.00 0.00 C ATOM 0 H LEU A 60 -0.436 0.464 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 60 0.112 -2.369 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.269 -0.091 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.386 -1.677 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 60 1.745 0.115 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.148 0.996 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.443 1.473 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.117 0.165 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.734 -1.140 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.726 -2.055 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.459 -2.223 -3.323 1.00 0.00 H new ATOM 892 N VAL A 61 -1.970 -3.106 -2.520 1.00 0.00 N ATOM 893 CA VAL A 61 -3.269 -3.612 -2.094 1.00 0.00 C ATOM 894 C VAL A 61 -3.397 -3.586 -0.575 1.00 0.00 C ATOM 895 O VAL A 61 -2.521 -4.072 0.142 1.00 0.00 O ATOM 896 CB VAL A 61 -3.503 -5.050 -2.593 1.00 0.00 C ATOM 897 CG1 VAL A 61 -3.807 -5.056 -4.083 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.296 -5.924 -2.284 1.00 0.00 C ATOM 0 H VAL A 61 -1.200 -3.764 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.023 -2.957 -2.531 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.366 -5.462 -2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.969 -6.081 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.703 -4.466 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.967 -4.626 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.479 -6.937 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.415 -5.516 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.129 -5.946 -1.207 1.00 0.00 H new ATOM 908 N LEU A 62 -4.495 -3.017 -0.089 1.00 0.00 N ATOM 909 CA LEU A 62 -4.739 -2.927 1.347 1.00 0.00 C ATOM 910 C LEU A 62 -5.674 -4.039 1.810 1.00 0.00 C ATOM 911 O LEU A 62 -6.836 -4.096 1.405 1.00 0.00 O ATOM 912 CB LEU A 62 -5.335 -1.564 1.699 1.00 0.00 C ATOM 913 CG LEU A 62 -4.455 -0.349 1.402 1.00 0.00 C ATOM 914 CD1 LEU A 62 -4.528 0.016 -0.072 1.00 0.00 C ATOM 915 CD2 LEU A 62 -4.867 0.833 2.268 1.00 0.00 C ATOM 0 H LEU A 62 -5.230 -2.611 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.785 -3.042 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.273 -1.449 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.579 -1.560 2.761 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.423 -0.605 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.895 0.883 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.183 -0.825 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.558 0.253 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.230 1.688 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.906 1.090 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.760 0.568 3.320 1.00 0.00 H new ATOM 927 N ASP A 63 -5.162 -4.920 2.663 1.00 0.00 N ATOM 928 CA ASP A 63 -5.952 -6.028 3.185 1.00 0.00 C ATOM 929 C ASP A 63 -6.250 -5.833 4.668 1.00 0.00 C ATOM 930 O ASP A 63 -5.534 -6.348 5.527 1.00 0.00 O ATOM 931 CB ASP A 63 -5.218 -7.352 2.969 1.00 0.00 C ATOM 932 CG ASP A 63 -5.558 -7.993 1.637 1.00 0.00 C ATOM 933 OD1 ASP A 63 -5.264 -7.379 0.590 1.00 0.00 O ATOM 934 OD2 ASP A 63 -6.118 -9.109 1.642 1.00 0.00 O ATOM 0 H ASP A 63 -4.202 -4.888 3.007 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.898 -6.053 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.143 -7.181 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.472 -8.040 3.775 1.00 0.00 H new ATOM 939 N GLU A 64 -7.309 -5.086 4.961 1.00 0.00 N ATOM 940 CA GLU A 64 -7.699 -4.821 6.341 1.00 0.00 C ATOM 941 C GLU A 64 -9.125 -5.296 6.604 1.00 0.00 C ATOM 942 O GLU A 64 -9.907 -4.610 7.260 1.00 0.00 O ATOM 943 CB GLU A 64 -7.582 -3.327 6.650 1.00 0.00 C ATOM 944 CG GLU A 64 -6.213 -2.918 7.167 1.00 0.00 C ATOM 945 CD GLU A 64 -6.057 -3.153 8.657 1.00 0.00 C ATOM 946 OE1 GLU A 64 -6.375 -4.270 9.117 1.00 0.00 O ATOM 947 OE2 GLU A 64 -5.617 -2.221 9.362 1.00 0.00 O ATOM 0 H GLU A 64 -7.912 -4.653 4.262 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.024 -5.373 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.804 -2.759 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.336 -3.057 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.445 -3.477 6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.048 -1.863 6.950 1.00 0.00 H new ATOM 954 N ASN A 65 -9.455 -6.474 6.086 1.00 0.00 N ATOM 955 CA ASN A 65 -10.787 -7.041 6.263 1.00 0.00 C ATOM 956 C ASN A 65 -10.916 -7.712 7.627 1.00 0.00 C ATOM 957 O ASN A 65 -11.869 -7.463 8.364 1.00 0.00 O ATOM 958 CB ASN A 65 -11.086 -8.053 5.155 1.00 0.00 C ATOM 959 CG ASN A 65 -10.933 -7.455 3.769 1.00 0.00 C ATOM 960 OD1 ASN A 65 -11.540 -6.431 3.453 1.00 0.00 O ATOM 961 ND2 ASN A 65 -10.121 -8.093 2.935 1.00 0.00 N ATOM 0 H ASN A 65 -8.819 -7.055 5.540 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.510 -6.227 6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.415 -8.906 5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.102 -8.430 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.980 -7.738 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.638 -8.938 3.240 1.00 0.00 H new ATOM 968 N GLU A 66 -9.949 -8.563 7.956 1.00 0.00 N ATOM 969 CA GLU A 66 -9.955 -9.269 9.232 1.00 0.00 C ATOM 970 C GLU A 66 -9.113 -8.529 10.267 1.00 0.00 C ATOM 971 O GLU A 66 -8.063 -7.973 9.945 1.00 0.00 O ATOM 972 CB GLU A 66 -9.428 -10.694 9.053 1.00 0.00 C ATOM 973 CG GLU A 66 -9.643 -11.580 10.269 1.00 0.00 C ATOM 974 CD GLU A 66 -9.266 -13.026 10.012 1.00 0.00 C ATOM 975 OE1 GLU A 66 -8.056 -13.312 9.892 1.00 0.00 O ATOM 976 OE2 GLU A 66 -10.182 -13.871 9.931 1.00 0.00 O ATOM 0 H GLU A 66 -9.152 -8.780 7.357 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.984 -9.312 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.918 -11.148 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.362 -10.653 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.053 -11.197 11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.689 -11.529 10.570 1.00 0.00 H new ATOM 983 N GLN A 67 -9.582 -8.527 11.511 1.00 0.00 N ATOM 984 CA GLN A 67 -8.873 -7.855 12.593 1.00 0.00 C ATOM 985 C GLN A 67 -7.368 -8.072 12.475 1.00 0.00 C ATOM 986 O GLN A 67 -6.900 -9.125 12.042 1.00 0.00 O ATOM 987 CB GLN A 67 -9.368 -8.362 13.948 1.00 0.00 C ATOM 988 CG GLN A 67 -9.271 -9.871 14.106 1.00 0.00 C ATOM 989 CD GLN A 67 -7.846 -10.347 14.304 1.00 0.00 C ATOM 990 OE1 GLN A 67 -7.385 -11.265 13.625 1.00 0.00 O ATOM 991 NE2 GLN A 67 -7.137 -9.722 15.237 1.00 0.00 N ATOM 0 H GLN A 67 -10.449 -8.983 11.794 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.075 -6.787 12.517 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.789 -7.884 14.739 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.406 -8.057 14.084 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.876 -10.183 14.958 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.691 -10.353 13.223 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.558 -8.966 15.777 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.171 -9.998 15.414 1.00 0.00 H new ATOM 1000 N PRO A 68 -6.590 -7.052 12.869 1.00 0.00 N ATOM 1001 CA PRO A 68 -5.126 -7.108 12.817 1.00 0.00 C ATOM 1002 C PRO A 68 -4.546 -8.075 13.843 1.00 0.00 C ATOM 1003 O PRO A 68 -4.858 -7.996 15.031 1.00 0.00 O ATOM 1004 CB PRO A 68 -4.705 -5.672 13.138 1.00 0.00 C ATOM 1005 CG PRO A 68 -5.836 -5.114 13.931 1.00 0.00 C ATOM 1006 CD PRO A 68 -7.080 -5.767 13.395 1.00 0.00 C ATOM 0 HA PRO A 68 -4.766 -7.467 11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -3.775 -5.650 13.705 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.537 -5.096 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.710 -5.326 14.993 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.888 -4.030 13.827 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.827 -5.911 14.176 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.546 -5.165 12.615 1.00 0.00 H new ATOM 1014 N ASP A 69 -3.699 -8.987 13.376 1.00 0.00 N ATOM 1015 CA ASP A 69 -3.074 -9.969 14.254 1.00 0.00 C ATOM 1016 C ASP A 69 -1.899 -9.354 15.008 1.00 0.00 C ATOM 1017 O ASP A 69 -1.118 -8.575 14.461 1.00 0.00 O ATOM 1018 CB ASP A 69 -2.601 -11.179 13.447 1.00 0.00 C ATOM 1019 CG ASP A 69 -2.364 -12.398 14.315 1.00 0.00 C ATOM 1020 OD1 ASP A 69 -3.357 -13.029 14.737 1.00 0.00 O ATOM 1021 OD2 ASP A 69 -1.186 -12.723 14.573 1.00 0.00 O ATOM 0 H ASP A 69 -3.430 -9.066 12.395 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.818 -10.295 14.981 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.344 -11.417 12.686 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.679 -10.925 12.923 1.00 0.00 H new ATOM 1026 N PRO A 70 -1.769 -9.710 16.295 1.00 0.00 N ATOM 1027 CA PRO A 70 -0.693 -9.204 17.151 1.00 0.00 C ATOM 1028 C PRO A 70 0.671 -9.761 16.758 1.00 0.00 C ATOM 1029 O PRO A 70 1.053 -10.852 17.182 1.00 0.00 O ATOM 1030 CB PRO A 70 -1.089 -9.695 18.546 1.00 0.00 C ATOM 1031 CG PRO A 70 -1.931 -10.898 18.299 1.00 0.00 C ATOM 1032 CD PRO A 70 -2.663 -10.634 17.012 1.00 0.00 C ATOM 0 HA PRO A 70 -0.590 -8.121 17.078 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.211 -9.942 19.143 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.641 -8.931 19.093 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.317 -11.795 18.222 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.630 -11.060 19.119 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.828 -11.552 16.448 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -3.642 -10.189 17.190 1.00 0.00 H new ATOM 1040 N SER A 71 1.403 -9.005 15.946 1.00 0.00 N ATOM 1041 CA SER A 71 2.723 -9.425 15.492 1.00 0.00 C ATOM 1042 C SER A 71 3.579 -8.218 15.120 1.00 0.00 C ATOM 1043 O SER A 71 3.064 -7.184 14.699 1.00 0.00 O ATOM 1044 CB SER A 71 2.599 -10.366 14.293 1.00 0.00 C ATOM 1045 OG SER A 71 2.259 -11.678 14.706 1.00 0.00 O ATOM 0 H SER A 71 1.104 -8.098 15.589 1.00 0.00 H new ATOM 0 HA SER A 71 3.209 -9.955 16.311 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.839 -9.989 13.608 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.541 -10.387 13.744 1.00 0.00 H new ATOM 0 HG SER A 71 1.930 -11.655 15.629 1.00 0.00 H new ATOM 1051 N GLY A 72 4.892 -8.359 15.279 1.00 0.00 N ATOM 1052 CA GLY A 72 5.799 -7.274 14.956 1.00 0.00 C ATOM 1053 C GLY A 72 6.630 -6.838 16.147 1.00 0.00 C ATOM 1054 O GLY A 72 7.621 -7.483 16.492 1.00 0.00 O ATOM 0 H GLY A 72 5.343 -9.206 15.626 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.462 -7.587 14.149 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.226 -6.424 14.586 1.00 0.00 H new ATOM 1058 N LYS A 73 6.227 -5.740 16.777 1.00 0.00 N ATOM 1059 CA LYS A 73 6.940 -5.217 17.936 1.00 0.00 C ATOM 1060 C LYS A 73 8.449 -5.293 17.726 1.00 0.00 C ATOM 1061 O LYS A 73 9.192 -5.674 18.630 1.00 0.00 O ATOM 1062 CB LYS A 73 6.550 -5.996 19.195 1.00 0.00 C ATOM 1063 CG LYS A 73 6.805 -7.489 19.089 1.00 0.00 C ATOM 1064 CD LYS A 73 6.564 -8.191 20.416 1.00 0.00 C ATOM 1065 CE LYS A 73 6.154 -9.641 20.212 1.00 0.00 C ATOM 1066 NZ LYS A 73 6.061 -10.378 21.504 1.00 0.00 N ATOM 0 H LYS A 73 5.409 -5.195 16.504 1.00 0.00 H new ATOM 0 HA LYS A 73 6.660 -4.171 18.062 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.107 -5.600 20.044 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.493 -5.830 19.402 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.154 -7.917 18.326 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.832 -7.662 18.766 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.470 -8.149 21.021 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.786 -7.666 20.971 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.191 -9.678 19.703 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.877 -10.135 19.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.779 -11.362 21.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.986 -10.365 21.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.353 -9.922 22.114 1.00 0.00 H new ATOM 1080 N GLU A 74 8.895 -4.928 16.528 1.00 0.00 N ATOM 1081 CA GLU A 74 10.316 -4.955 16.201 1.00 0.00 C ATOM 1082 C GLU A 74 10.865 -3.540 16.045 1.00 0.00 C ATOM 1083 O GLU A 74 10.123 -2.604 15.744 1.00 0.00 O ATOM 1084 CB GLU A 74 10.551 -5.750 14.915 1.00 0.00 C ATOM 1085 CG GLU A 74 10.034 -5.055 13.667 1.00 0.00 C ATOM 1086 CD GLU A 74 10.744 -5.513 12.408 1.00 0.00 C ATOM 1087 OE1 GLU A 74 10.424 -6.613 11.912 1.00 0.00 O ATOM 1088 OE2 GLU A 74 11.620 -4.770 11.918 1.00 0.00 O ATOM 0 H GLU A 74 8.293 -4.610 15.768 1.00 0.00 H new ATOM 0 HA GLU A 74 10.843 -5.442 17.022 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.619 -5.934 14.802 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.068 -6.723 15.006 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.965 -5.245 13.566 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.158 -3.978 13.778 1.00 0.00 H new ATOM 1095 N SER A 75 12.169 -3.391 16.253 1.00 0.00 N ATOM 1096 CA SER A 75 12.818 -2.090 16.139 1.00 0.00 C ATOM 1097 C SER A 75 12.422 -1.397 14.839 1.00 0.00 C ATOM 1098 O SER A 75 11.998 -2.043 13.882 1.00 0.00 O ATOM 1099 CB SER A 75 14.339 -2.247 16.204 1.00 0.00 C ATOM 1100 OG SER A 75 14.747 -2.735 17.471 1.00 0.00 O ATOM 0 H SER A 75 12.797 -4.155 16.501 1.00 0.00 H new ATOM 0 HA SER A 75 12.488 -1.473 16.975 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.671 -2.931 15.423 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.816 -1.286 16.010 1.00 0.00 H new ATOM 0 HG SER A 75 15.722 -2.828 17.487 1.00 0.00 H new ATOM 1106 N GLY A 76 12.565 -0.075 14.813 1.00 0.00 N ATOM 1107 CA GLY A 76 12.218 0.685 13.627 1.00 0.00 C ATOM 1108 C GLY A 76 11.830 2.115 13.947 1.00 0.00 C ATOM 1109 O GLY A 76 10.651 2.450 14.062 1.00 0.00 O ATOM 0 H GLY A 76 12.915 0.483 15.592 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.064 0.687 12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.391 0.194 13.114 1.00 0.00 H new ATOM 1113 N PRO A 77 12.838 2.986 14.098 1.00 0.00 N ATOM 1114 CA PRO A 77 12.621 4.402 14.411 1.00 0.00 C ATOM 1115 C PRO A 77 12.007 5.166 13.243 1.00 0.00 C ATOM 1116 O PRO A 77 11.642 4.576 12.227 1.00 0.00 O ATOM 1117 CB PRO A 77 14.031 4.920 14.706 1.00 0.00 C ATOM 1118 CG PRO A 77 14.936 4.003 13.958 1.00 0.00 C ATOM 1119 CD PRO A 77 14.268 2.656 13.975 1.00 0.00 C ATOM 0 HA PRO A 77 11.922 4.534 15.237 1.00 0.00 H new ATOM 0 HB2 PRO A 77 14.151 5.952 14.375 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.244 4.901 15.775 1.00 0.00 H new ATOM 0 HG2 PRO A 77 15.086 4.351 12.936 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.919 3.957 14.427 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.474 2.094 13.064 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.613 2.047 14.810 1.00 0.00 H new ATOM 1127 N SER A 78 11.897 6.482 13.395 1.00 0.00 N ATOM 1128 CA SER A 78 11.323 7.326 12.354 1.00 0.00 C ATOM 1129 C SER A 78 11.614 8.799 12.627 1.00 0.00 C ATOM 1130 O SER A 78 11.831 9.198 13.771 1.00 0.00 O ATOM 1131 CB SER A 78 9.813 7.102 12.260 1.00 0.00 C ATOM 1132 OG SER A 78 9.217 8.015 11.355 1.00 0.00 O ATOM 0 H SER A 78 12.198 6.986 14.229 1.00 0.00 H new ATOM 0 HA SER A 78 11.783 7.052 11.405 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.613 6.081 11.935 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.363 7.217 13.246 1.00 0.00 H new ATOM 0 HG SER A 78 8.625 7.530 10.743 1.00 0.00 H new ATOM 1138 N SER A 79 11.616 9.601 11.567 1.00 0.00 N ATOM 1139 CA SER A 79 11.884 11.029 11.691 1.00 0.00 C ATOM 1140 C SER A 79 13.184 11.275 12.450 1.00 0.00 C ATOM 1141 O SER A 79 13.264 12.163 13.297 1.00 0.00 O ATOM 1142 CB SER A 79 10.724 11.727 12.404 1.00 0.00 C ATOM 1143 OG SER A 79 9.620 11.901 11.533 1.00 0.00 O ATOM 0 H SER A 79 11.435 9.287 10.614 1.00 0.00 H new ATOM 0 HA SER A 79 11.986 11.442 10.688 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.419 11.139 13.270 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.053 12.697 12.777 1.00 0.00 H new ATOM 0 HG SER A 79 8.892 12.348 12.013 1.00 0.00 H new ATOM 1149 N GLY A 80 14.203 10.479 12.139 1.00 0.00 N ATOM 1150 CA GLY A 80 15.487 10.624 12.799 1.00 0.00 C ATOM 1151 C GLY A 80 16.230 11.868 12.355 1.00 0.00 C ATOM 1152 O GLY A 80 16.815 12.576 13.175 1.00 0.00 O ATOM 0 H GLY A 80 14.162 9.736 11.441 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.335 10.661 13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.099 9.746 12.593 1.00 0.00 H new TER 1156 GLY A 80