USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=24 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 Set 1.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -149:sc= -0.771 (180deg=-1.02) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.00361 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 162:sc= 1.23 USER MOD Single : A 12 MET CE :methyl -167:sc=-0.00394 (180deg=-0.213) USER MOD Single : A 13 THR OG1 : rot 154:sc= 0.551 USER MOD Single : A 14 CYS SG : rot -26:sc= 0.404 USER MOD Single : A 15 SER OG : rot 28:sc= 0.0449 USER MOD Single : A 17 TYR OH : rot 55:sc= -0.678 USER MOD Single : A 18 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.31) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0501 K(o=-0.05,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00213 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.849 K(o=-0.85,f=-4.3!) USER MOD Single : A 39 GLN : amide:sc= 0.589 K(o=0.59,f=-0.47) USER MOD Single : A 41 SER OG : rot -37:sc= 0.18 USER MOD Single : A 45 TYR OH : rot -54:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0644 K(o=-0.064,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.6!) USER MOD Single : A 67 GLN : amide:sc= -0.658 K(o=-0.66,f=-1.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 79 SER OG : rot 45:sc= 0.888 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.583 0.003 23.310 1.00 0.00 N ATOM 2 CA GLY A 1 5.234 0.764 22.260 1.00 0.00 C ATOM 3 C GLY A 1 4.429 1.978 21.840 1.00 0.00 C ATOM 4 O GLY A 1 3.845 2.664 22.679 1.00 0.00 O ATOM 0 H1 GLY A 1 5.298 -0.349 23.978 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.909 0.614 23.814 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.075 -0.802 22.891 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.217 1.085 22.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.394 0.121 21.395 1.00 0.00 H new ATOM 8 N SER A 2 4.399 2.246 20.539 1.00 0.00 N ATOM 9 CA SER A 2 3.665 3.389 20.010 1.00 0.00 C ATOM 10 C SER A 2 2.164 3.114 20.001 1.00 0.00 C ATOM 11 O SER A 2 1.652 2.435 19.111 1.00 0.00 O ATOM 12 CB SER A 2 4.143 3.719 18.595 1.00 0.00 C ATOM 13 OG SER A 2 5.406 4.360 18.620 1.00 0.00 O ATOM 0 H SER A 2 4.875 1.687 19.831 1.00 0.00 H new ATOM 0 HA SER A 2 3.856 4.244 20.659 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.208 2.804 18.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.414 4.363 18.103 1.00 0.00 H new ATOM 0 HG SER A 2 5.690 4.559 17.703 1.00 0.00 H new ATOM 19 N SER A 3 1.465 3.645 20.999 1.00 0.00 N ATOM 20 CA SER A 3 0.024 3.454 21.109 1.00 0.00 C ATOM 21 C SER A 3 -0.328 1.969 21.119 1.00 0.00 C ATOM 22 O SER A 3 -1.429 1.578 20.733 1.00 0.00 O ATOM 23 CB SER A 3 -0.695 4.152 19.953 1.00 0.00 C ATOM 24 OG SER A 3 -1.008 5.494 20.283 1.00 0.00 O ATOM 0 H SER A 3 1.873 4.211 21.743 1.00 0.00 H new ATOM 0 HA SER A 3 -0.305 3.894 22.050 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.066 4.130 19.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.610 3.611 19.710 1.00 0.00 H new ATOM 0 HG SER A 3 -1.465 5.919 19.527 1.00 0.00 H new ATOM 30 N GLY A 4 0.617 1.146 21.565 1.00 0.00 N ATOM 31 CA GLY A 4 0.388 -0.286 21.618 1.00 0.00 C ATOM 32 C GLY A 4 1.216 -1.042 20.598 1.00 0.00 C ATOM 33 O GLY A 4 2.094 -1.826 20.959 1.00 0.00 O ATOM 0 H GLY A 4 1.536 1.446 21.890 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.624 -0.652 22.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.669 -0.489 21.446 1.00 0.00 H new ATOM 37 N SER A 5 0.935 -0.810 19.320 1.00 0.00 N ATOM 38 CA SER A 5 1.656 -1.480 18.244 1.00 0.00 C ATOM 39 C SER A 5 2.661 -0.534 17.592 1.00 0.00 C ATOM 40 O SER A 5 2.522 0.686 17.670 1.00 0.00 O ATOM 41 CB SER A 5 0.676 -2.004 17.193 1.00 0.00 C ATOM 42 OG SER A 5 -0.270 -2.886 17.773 1.00 0.00 O ATOM 0 H SER A 5 0.213 -0.163 19.004 1.00 0.00 H new ATOM 0 HA SER A 5 2.200 -2.321 18.674 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.158 -1.167 16.725 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.224 -2.521 16.405 1.00 0.00 H new ATOM 0 HG SER A 5 -0.886 -3.206 17.081 1.00 0.00 H new ATOM 48 N SER A 6 3.673 -1.108 16.949 1.00 0.00 N ATOM 49 CA SER A 6 4.703 -0.317 16.286 1.00 0.00 C ATOM 50 C SER A 6 5.549 -1.191 15.364 1.00 0.00 C ATOM 51 O SER A 6 5.851 -2.340 15.684 1.00 0.00 O ATOM 52 CB SER A 6 5.598 0.365 17.323 1.00 0.00 C ATOM 53 OG SER A 6 6.333 -0.590 18.070 1.00 0.00 O ATOM 0 H SER A 6 3.802 -2.117 16.873 1.00 0.00 H new ATOM 0 HA SER A 6 4.210 0.446 15.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.285 1.047 16.822 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.987 0.966 17.996 1.00 0.00 H new ATOM 0 HG SER A 6 6.898 -0.129 18.724 1.00 0.00 H new ATOM 59 N GLY A 7 5.927 -0.636 14.217 1.00 0.00 N ATOM 60 CA GLY A 7 6.734 -1.377 13.265 1.00 0.00 C ATOM 61 C GLY A 7 6.464 -0.964 11.831 1.00 0.00 C ATOM 62 O GLY A 7 6.718 0.178 11.449 1.00 0.00 O ATOM 0 H GLY A 7 5.689 0.313 13.930 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.789 -1.224 13.491 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.535 -2.443 13.377 1.00 0.00 H new ATOM 66 N ALA A 8 5.950 -1.896 11.036 1.00 0.00 N ATOM 67 CA ALA A 8 5.646 -1.623 9.636 1.00 0.00 C ATOM 68 C ALA A 8 4.663 -2.646 9.079 1.00 0.00 C ATOM 69 O ALA A 8 4.287 -3.599 9.762 1.00 0.00 O ATOM 70 CB ALA A 8 6.924 -1.611 8.811 1.00 0.00 C ATOM 0 H ALA A 8 5.735 -2.847 11.337 1.00 0.00 H new ATOM 0 HA ALA A 8 5.179 -0.640 9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.682 -1.406 7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.593 -0.837 9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.414 -2.582 8.886 1.00 0.00 H new ATOM 76 N THR A 9 4.248 -2.443 7.832 1.00 0.00 N ATOM 77 CA THR A 9 3.306 -3.347 7.183 1.00 0.00 C ATOM 78 C THR A 9 3.685 -3.580 5.724 1.00 0.00 C ATOM 79 O THR A 9 3.961 -2.634 4.986 1.00 0.00 O ATOM 80 CB THR A 9 1.868 -2.800 7.247 1.00 0.00 C ATOM 81 OG1 THR A 9 1.447 -2.687 8.611 1.00 0.00 O ATOM 82 CG2 THR A 9 0.910 -3.708 6.490 1.00 0.00 C ATOM 0 H THR A 9 4.550 -1.660 7.251 1.00 0.00 H new ATOM 0 HA THR A 9 3.351 -4.293 7.723 1.00 0.00 H new ATOM 0 HB THR A 9 1.856 -1.815 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.532 -2.337 8.643 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.100 -3.302 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.216 -3.770 5.446 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.927 -4.704 6.932 1.00 0.00 H new ATOM 90 N SER A 10 3.694 -4.844 5.315 1.00 0.00 N ATOM 91 CA SER A 10 4.041 -5.201 3.945 1.00 0.00 C ATOM 92 C SER A 10 2.791 -5.306 3.077 1.00 0.00 C ATOM 93 O SER A 10 1.820 -5.968 3.444 1.00 0.00 O ATOM 94 CB SER A 10 4.806 -6.526 3.919 1.00 0.00 C ATOM 95 OG SER A 10 3.937 -7.621 4.152 1.00 0.00 O ATOM 0 H SER A 10 3.465 -5.638 5.913 1.00 0.00 H new ATOM 0 HA SER A 10 4.677 -4.414 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.298 -6.647 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.590 -6.512 4.676 1.00 0.00 H new ATOM 0 HG SER A 10 4.365 -8.449 3.847 1.00 0.00 H new ATOM 101 N TYR A 11 2.822 -4.646 1.924 1.00 0.00 N ATOM 102 CA TYR A 11 1.691 -4.662 1.004 1.00 0.00 C ATOM 103 C TYR A 11 2.005 -5.502 -0.231 1.00 0.00 C ATOM 104 O TYR A 11 3.126 -5.978 -0.402 1.00 0.00 O ATOM 105 CB TYR A 11 1.327 -3.236 0.586 1.00 0.00 C ATOM 106 CG TYR A 11 0.822 -2.381 1.726 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.614 -2.136 2.840 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.447 -1.817 1.687 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.157 -1.356 3.885 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.912 -1.034 2.726 1.00 0.00 C ATOM 111 CZ TYR A 11 -0.107 -0.807 3.822 1.00 0.00 C ATOM 112 OH TYR A 11 -0.566 -0.028 4.860 1.00 0.00 O ATOM 0 H TYR A 11 3.618 -4.094 1.605 1.00 0.00 H new ATOM 0 HA TYR A 11 0.842 -5.110 1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.204 -2.760 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.564 -3.278 -0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.605 -2.563 2.891 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.081 -1.994 0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.785 -1.177 4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.901 -0.602 2.680 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.474 0.283 4.659 1.00 0.00 H new ATOM 122 N MET A 12 1.005 -5.678 -1.088 1.00 0.00 N ATOM 123 CA MET A 12 1.173 -6.459 -2.308 1.00 0.00 C ATOM 124 C MET A 12 0.887 -5.608 -3.542 1.00 0.00 C ATOM 125 O MET A 12 -0.200 -5.048 -3.684 1.00 0.00 O ATOM 126 CB MET A 12 0.250 -7.679 -2.290 1.00 0.00 C ATOM 127 CG MET A 12 0.836 -8.874 -1.556 1.00 0.00 C ATOM 128 SD MET A 12 2.327 -9.511 -2.346 1.00 0.00 S ATOM 129 CE MET A 12 1.636 -10.266 -3.815 1.00 0.00 C ATOM 0 H MET A 12 0.070 -5.291 -0.960 1.00 0.00 H new ATOM 0 HA MET A 12 2.208 -6.797 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.695 -7.403 -1.821 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.024 -7.969 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.067 -8.588 -0.530 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.089 -9.666 -1.505 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.388 -10.898 -4.288 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.773 -10.873 -3.541 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.326 -9.488 -4.512 1.00 0.00 H new ATOM 139 N THR A 13 1.870 -5.515 -4.432 1.00 0.00 N ATOM 140 CA THR A 13 1.725 -4.731 -5.652 1.00 0.00 C ATOM 141 C THR A 13 0.841 -5.450 -6.665 1.00 0.00 C ATOM 142 O THR A 13 0.941 -6.666 -6.838 1.00 0.00 O ATOM 143 CB THR A 13 3.092 -4.438 -6.298 1.00 0.00 C ATOM 144 OG1 THR A 13 3.592 -5.615 -6.943 1.00 0.00 O ATOM 145 CG2 THR A 13 4.092 -3.962 -5.255 1.00 0.00 C ATOM 0 H THR A 13 2.776 -5.973 -4.331 1.00 0.00 H new ATOM 0 HA THR A 13 1.257 -3.789 -5.368 1.00 0.00 H new ATOM 0 HB THR A 13 2.958 -3.648 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.195 -5.358 -7.672 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.050 -3.761 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.723 -3.050 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.221 -4.733 -4.496 1.00 0.00 H new ATOM 153 N CYS A 14 -0.023 -4.693 -7.332 1.00 0.00 N ATOM 154 CA CYS A 14 -0.925 -5.259 -8.328 1.00 0.00 C ATOM 155 C CYS A 14 -0.581 -4.750 -9.724 1.00 0.00 C ATOM 156 O CYS A 14 -1.088 -5.259 -10.724 1.00 0.00 O ATOM 157 CB CYS A 14 -2.376 -4.912 -7.989 1.00 0.00 C ATOM 158 SG CYS A 14 -3.584 -5.547 -9.175 1.00 0.00 S ATOM 0 H CYS A 14 -0.118 -3.686 -7.201 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.806 -6.342 -8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.611 -5.307 -7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.475 -3.828 -7.931 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.019 -5.688 -10.337 1.00 0.00 H new ATOM 164 N SER A 15 0.282 -3.741 -9.785 1.00 0.00 N ATOM 165 CA SER A 15 0.690 -3.159 -11.058 1.00 0.00 C ATOM 166 C SER A 15 2.138 -2.683 -10.999 1.00 0.00 C ATOM 167 O SER A 15 2.634 -2.299 -9.940 1.00 0.00 O ATOM 168 CB SER A 15 -0.229 -1.993 -11.427 1.00 0.00 C ATOM 169 OG SER A 15 -1.355 -2.442 -12.160 1.00 0.00 O ATOM 0 H SER A 15 0.712 -3.309 -8.967 1.00 0.00 H new ATOM 0 HA SER A 15 0.612 -3.930 -11.824 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.560 -1.486 -10.521 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.325 -1.262 -12.017 1.00 0.00 H new ATOM 0 HG SER A 15 -1.560 -3.367 -11.910 1.00 0.00 H new ATOM 175 N ALA A 16 2.811 -2.710 -12.145 1.00 0.00 N ATOM 176 CA ALA A 16 4.201 -2.279 -12.225 1.00 0.00 C ATOM 177 C ALA A 16 4.306 -0.758 -12.202 1.00 0.00 C ATOM 178 O ALA A 16 3.878 -0.082 -13.138 1.00 0.00 O ATOM 179 CB ALA A 16 4.855 -2.837 -13.480 1.00 0.00 C ATOM 0 H ALA A 16 2.416 -3.026 -13.031 1.00 0.00 H new ATOM 0 HA ALA A 16 4.727 -2.666 -11.352 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.893 -2.507 -13.527 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.821 -3.926 -13.454 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.320 -2.478 -14.359 1.00 0.00 H new ATOM 185 N TYR A 17 4.878 -0.225 -11.128 1.00 0.00 N ATOM 186 CA TYR A 17 5.036 1.217 -10.983 1.00 0.00 C ATOM 187 C TYR A 17 6.357 1.684 -11.587 1.00 0.00 C ATOM 188 O TYR A 17 7.402 1.071 -11.369 1.00 0.00 O ATOM 189 CB TYR A 17 4.970 1.612 -9.507 1.00 0.00 C ATOM 190 CG TYR A 17 5.623 2.943 -9.206 1.00 0.00 C ATOM 191 CD1 TYR A 17 6.999 3.042 -9.038 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.864 4.101 -9.092 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.599 4.255 -8.763 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.456 5.319 -8.818 1.00 0.00 C ATOM 195 CZ TYR A 17 6.824 5.390 -8.654 1.00 0.00 C ATOM 196 OH TYR A 17 7.419 6.601 -8.381 1.00 0.00 O ATOM 0 H TYR A 17 5.240 -0.770 -10.345 1.00 0.00 H new ATOM 0 HA TYR A 17 4.220 1.702 -11.519 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.926 1.651 -9.196 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.452 0.837 -8.910 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.609 2.155 -9.124 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.793 4.048 -9.220 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.670 4.314 -8.634 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.852 6.210 -8.733 1.00 0.00 H new ATOM 0 HH TYR A 17 8.114 6.782 -9.048 1.00 0.00 H new ATOM 206 N GLN A 18 6.300 2.773 -12.347 1.00 0.00 N ATOM 207 CA GLN A 18 7.492 3.322 -12.984 1.00 0.00 C ATOM 208 C GLN A 18 8.058 4.481 -12.170 1.00 0.00 C ATOM 209 O GLN A 18 7.326 5.382 -11.759 1.00 0.00 O ATOM 210 CB GLN A 18 7.167 3.790 -14.403 1.00 0.00 C ATOM 211 CG GLN A 18 8.347 3.702 -15.358 1.00 0.00 C ATOM 212 CD GLN A 18 9.324 4.849 -15.186 1.00 0.00 C ATOM 213 OE1 GLN A 18 8.946 6.018 -15.266 1.00 0.00 O ATOM 214 NE2 GLN A 18 10.588 4.520 -14.948 1.00 0.00 N ATOM 0 H GLN A 18 5.443 3.292 -12.537 1.00 0.00 H new ATOM 0 HA GLN A 18 8.244 2.534 -13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.347 3.189 -14.796 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.817 4.822 -14.365 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.869 2.758 -15.199 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.979 3.694 -16.384 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.857 3.538 -14.890 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.290 5.249 -14.823 1.00 0.00 H new ATOM 223 N LYS A 19 9.366 4.453 -11.940 1.00 0.00 N ATOM 224 CA LYS A 19 10.033 5.501 -11.177 1.00 0.00 C ATOM 225 C LYS A 19 10.427 6.665 -12.080 1.00 0.00 C ATOM 226 O LYS A 19 11.020 6.468 -13.141 1.00 0.00 O ATOM 227 CB LYS A 19 11.273 4.941 -10.478 1.00 0.00 C ATOM 228 CG LYS A 19 12.302 4.364 -11.434 1.00 0.00 C ATOM 229 CD LYS A 19 13.309 5.415 -11.871 1.00 0.00 C ATOM 230 CE LYS A 19 14.499 5.473 -10.927 1.00 0.00 C ATOM 231 NZ LYS A 19 15.590 4.552 -11.351 1.00 0.00 N ATOM 0 H LYS A 19 9.986 3.714 -12.272 1.00 0.00 H new ATOM 0 HA LYS A 19 9.335 5.868 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.738 5.734 -9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.965 4.165 -9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.824 3.537 -10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.798 3.956 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.655 5.192 -12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.825 6.391 -11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.881 6.493 -10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.176 5.213 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.383 4.621 -10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.234 3.575 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.917 4.816 -12.303 1.00 0.00 H new ATOM 245 N VAL A 20 10.096 7.879 -11.652 1.00 0.00 N ATOM 246 CA VAL A 20 10.418 9.075 -12.421 1.00 0.00 C ATOM 247 C VAL A 20 11.652 9.773 -11.861 1.00 0.00 C ATOM 248 O VAL A 20 12.186 10.697 -12.474 1.00 0.00 O ATOM 249 CB VAL A 20 9.241 10.069 -12.432 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.142 9.585 -13.365 1.00 0.00 C ATOM 251 CG2 VAL A 20 8.704 10.275 -11.024 1.00 0.00 C ATOM 0 H VAL A 20 9.605 8.060 -10.777 1.00 0.00 H new ATOM 0 HA VAL A 20 10.620 8.750 -13.442 1.00 0.00 H new ATOM 0 HB VAL A 20 9.602 11.028 -12.802 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.319 10.300 -13.360 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.537 9.494 -14.377 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.781 8.613 -13.028 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.873 10.980 -11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.358 9.322 -10.623 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.495 10.671 -10.387 1.00 0.00 H new ATOM 261 N GLN A 21 12.101 9.323 -10.694 1.00 0.00 N ATOM 262 CA GLN A 21 13.274 9.904 -10.051 1.00 0.00 C ATOM 263 C GLN A 21 14.203 8.815 -9.527 1.00 0.00 C ATOM 264 O GLN A 21 13.806 7.658 -9.392 1.00 0.00 O ATOM 265 CB GLN A 21 12.850 10.824 -8.905 1.00 0.00 C ATOM 266 CG GLN A 21 11.778 11.829 -9.297 1.00 0.00 C ATOM 267 CD GLN A 21 11.828 13.092 -8.459 1.00 0.00 C ATOM 268 OE1 GLN A 21 12.547 13.160 -7.461 1.00 0.00 O ATOM 269 NE2 GLN A 21 11.063 14.100 -8.860 1.00 0.00 N ATOM 0 H GLN A 21 11.671 8.558 -10.174 1.00 0.00 H new ATOM 0 HA GLN A 21 13.814 10.488 -10.796 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.482 10.216 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.725 11.362 -8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.897 12.090 -10.349 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.796 11.367 -9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.483 14.000 -9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.055 14.975 -8.335 1.00 0.00 H new ATOM 278 N ASP A 22 15.443 9.193 -9.234 1.00 0.00 N ATOM 279 CA ASP A 22 16.430 8.248 -8.724 1.00 0.00 C ATOM 280 C ASP A 22 16.006 7.701 -7.364 1.00 0.00 C ATOM 281 O ASP A 22 16.219 6.527 -7.062 1.00 0.00 O ATOM 282 CB ASP A 22 17.800 8.919 -8.614 1.00 0.00 C ATOM 283 CG ASP A 22 18.343 9.351 -9.961 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.535 8.477 -10.831 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.576 10.564 -10.146 1.00 0.00 O ATOM 0 H ASP A 22 15.788 10.147 -9.341 1.00 0.00 H new ATOM 0 HA ASP A 22 16.497 7.416 -9.425 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.724 9.788 -7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.503 8.229 -8.147 1.00 0.00 H new ATOM 290 N SER A 23 15.407 8.561 -6.546 1.00 0.00 N ATOM 291 CA SER A 23 14.958 8.166 -5.217 1.00 0.00 C ATOM 292 C SER A 23 13.909 7.062 -5.303 1.00 0.00 C ATOM 293 O SER A 23 13.932 6.107 -4.528 1.00 0.00 O ATOM 294 CB SER A 23 14.386 9.372 -4.469 1.00 0.00 C ATOM 295 OG SER A 23 13.264 9.908 -5.148 1.00 0.00 O ATOM 0 H SER A 23 15.222 9.536 -6.781 1.00 0.00 H new ATOM 0 HA SER A 23 15.819 7.783 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.097 9.075 -3.461 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.154 10.139 -4.368 1.00 0.00 H new ATOM 0 HG SER A 23 12.916 10.676 -4.649 1.00 0.00 H new ATOM 301 N GLU A 24 12.989 7.202 -6.253 1.00 0.00 N ATOM 302 CA GLU A 24 11.930 6.218 -6.440 1.00 0.00 C ATOM 303 C GLU A 24 12.470 4.959 -7.113 1.00 0.00 C ATOM 304 O GLU A 24 13.571 4.961 -7.665 1.00 0.00 O ATOM 305 CB GLU A 24 10.795 6.810 -7.278 1.00 0.00 C ATOM 306 CG GLU A 24 10.091 7.980 -6.611 1.00 0.00 C ATOM 307 CD GLU A 24 9.088 8.656 -7.525 1.00 0.00 C ATOM 308 OE1 GLU A 24 9.118 8.382 -8.743 1.00 0.00 O ATOM 309 OE2 GLU A 24 8.275 9.459 -7.023 1.00 0.00 O ATOM 0 H GLU A 24 12.956 7.987 -6.904 1.00 0.00 H new ATOM 0 HA GLU A 24 11.543 5.947 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.196 7.137 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.064 6.029 -7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.580 7.629 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.833 8.710 -6.289 1.00 0.00 H new ATOM 316 N ILE A 25 11.688 3.886 -7.062 1.00 0.00 N ATOM 317 CA ILE A 25 12.087 2.621 -7.666 1.00 0.00 C ATOM 318 C ILE A 25 10.895 1.917 -8.305 1.00 0.00 C ATOM 319 O ILE A 25 9.790 1.929 -7.764 1.00 0.00 O ATOM 320 CB ILE A 25 12.730 1.680 -6.630 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.645 0.228 -7.105 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.053 1.841 -5.277 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.320 -0.433 -6.794 1.00 0.00 C ATOM 0 H ILE A 25 10.774 3.867 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 25 12.822 2.857 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 25 13.782 1.946 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.814 0.196 -8.181 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.446 -0.346 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.518 1.170 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.161 2.871 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.994 1.598 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.331 -1.460 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.157 -0.433 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.516 0.117 -7.282 1.00 0.00 H new ATOM 335 N SER A 26 11.128 1.302 -9.461 1.00 0.00 N ATOM 336 CA SER A 26 10.073 0.593 -10.176 1.00 0.00 C ATOM 337 C SER A 26 10.108 -0.899 -9.857 1.00 0.00 C ATOM 338 O SER A 26 11.175 -1.511 -9.816 1.00 0.00 O ATOM 339 CB SER A 26 10.217 0.808 -11.683 1.00 0.00 C ATOM 340 OG SER A 26 11.496 0.400 -12.137 1.00 0.00 O ATOM 0 H SER A 26 12.038 1.281 -9.922 1.00 0.00 H new ATOM 0 HA SER A 26 9.113 0.994 -9.849 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.445 0.246 -12.209 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.063 1.861 -11.920 1.00 0.00 H new ATOM 0 HG SER A 26 11.562 0.546 -13.104 1.00 0.00 H new ATOM 346 N PHE A 27 8.933 -1.477 -9.631 1.00 0.00 N ATOM 347 CA PHE A 27 8.828 -2.896 -9.315 1.00 0.00 C ATOM 348 C PHE A 27 7.758 -3.566 -10.171 1.00 0.00 C ATOM 349 O PHE A 27 6.806 -2.933 -10.628 1.00 0.00 O ATOM 350 CB PHE A 27 8.504 -3.088 -7.832 1.00 0.00 C ATOM 351 CG PHE A 27 7.436 -2.160 -7.327 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.104 -2.381 -7.637 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.765 -1.066 -6.543 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.119 -1.529 -7.174 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.784 -0.211 -6.076 1.00 0.00 C ATOM 356 CZ PHE A 27 5.460 -0.442 -6.393 1.00 0.00 C ATOM 0 H PHE A 27 8.040 -0.984 -9.661 1.00 0.00 H new ATOM 0 HA PHE A 27 9.788 -3.363 -9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.187 -4.118 -7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.412 -2.937 -7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.832 -3.229 -8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.799 -0.879 -6.294 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.084 -1.713 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.053 0.637 -5.464 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.693 0.226 -6.031 1.00 0.00 H new ATOM 366 N PRO A 28 7.916 -4.879 -10.396 1.00 0.00 N ATOM 367 CA PRO A 28 6.974 -5.665 -11.198 1.00 0.00 C ATOM 368 C PRO A 28 5.630 -5.847 -10.501 1.00 0.00 C ATOM 369 O PRO A 28 5.487 -5.539 -9.318 1.00 0.00 O ATOM 370 CB PRO A 28 7.681 -7.013 -11.356 1.00 0.00 C ATOM 371 CG PRO A 28 8.589 -7.106 -10.178 1.00 0.00 C ATOM 372 CD PRO A 28 9.027 -5.698 -9.882 1.00 0.00 C ATOM 0 HA PRO A 28 6.739 -5.178 -12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.966 -7.836 -11.370 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.240 -7.060 -12.291 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.075 -7.543 -9.322 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.446 -7.744 -10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.181 -5.541 -8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.967 -5.457 -10.378 1.00 0.00 H new ATOM 380 N ALA A 29 4.648 -6.348 -11.242 1.00 0.00 N ATOM 381 CA ALA A 29 3.316 -6.573 -10.694 1.00 0.00 C ATOM 382 C ALA A 29 3.177 -7.992 -10.153 1.00 0.00 C ATOM 383 O ALA A 29 2.938 -8.934 -10.907 1.00 0.00 O ATOM 384 CB ALA A 29 2.257 -6.305 -11.754 1.00 0.00 C ATOM 0 H ALA A 29 4.749 -6.606 -12.224 1.00 0.00 H new ATOM 0 HA ALA A 29 3.170 -5.880 -9.865 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.267 -6.477 -11.331 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.333 -5.271 -12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.411 -6.975 -12.600 1.00 0.00 H new ATOM 390 N GLY A 30 3.330 -8.137 -8.840 1.00 0.00 N ATOM 391 CA GLY A 30 3.220 -9.445 -8.220 1.00 0.00 C ATOM 392 C GLY A 30 4.317 -9.700 -7.206 1.00 0.00 C ATOM 393 O GLY A 30 4.751 -10.837 -7.023 1.00 0.00 O ATOM 0 H GLY A 30 3.528 -7.372 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.250 -9.531 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.257 -10.214 -8.992 1.00 0.00 H new ATOM 397 N VAL A 31 4.767 -8.639 -6.544 1.00 0.00 N ATOM 398 CA VAL A 31 5.820 -8.753 -5.542 1.00 0.00 C ATOM 399 C VAL A 31 5.425 -8.055 -4.246 1.00 0.00 C ATOM 400 O VAL A 31 4.605 -7.137 -4.250 1.00 0.00 O ATOM 401 CB VAL A 31 7.146 -8.155 -6.051 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.752 -9.041 -7.129 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.928 -6.742 -6.570 1.00 0.00 C ATOM 0 H VAL A 31 4.419 -7.691 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 31 5.959 -9.817 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 31 7.847 -8.107 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.688 -8.603 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.946 -10.032 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.058 -9.124 -7.965 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.875 -6.335 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.211 -6.762 -7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.542 -6.115 -5.766 1.00 0.00 H new ATOM 413 N GLU A 32 6.014 -8.495 -3.139 1.00 0.00 N ATOM 414 CA GLU A 32 5.722 -7.912 -1.835 1.00 0.00 C ATOM 415 C GLU A 32 6.746 -6.838 -1.478 1.00 0.00 C ATOM 416 O GLU A 32 7.921 -6.943 -1.832 1.00 0.00 O ATOM 417 CB GLU A 32 5.708 -8.998 -0.757 1.00 0.00 C ATOM 418 CG GLU A 32 5.210 -8.509 0.593 1.00 0.00 C ATOM 419 CD GLU A 32 5.285 -9.579 1.665 1.00 0.00 C ATOM 420 OE1 GLU A 32 6.210 -10.415 1.606 1.00 0.00 O ATOM 421 OE2 GLU A 32 4.416 -9.580 2.562 1.00 0.00 O ATOM 0 H GLU A 32 6.696 -9.253 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 32 4.737 -7.448 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.077 -9.822 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.716 -9.396 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.801 -7.647 0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.179 -8.170 0.495 1.00 0.00 H new ATOM 428 N VAL A 33 6.292 -5.806 -0.774 1.00 0.00 N ATOM 429 CA VAL A 33 7.168 -4.714 -0.367 1.00 0.00 C ATOM 430 C VAL A 33 6.870 -4.273 1.062 1.00 0.00 C ATOM 431 O VAL A 33 5.806 -4.571 1.604 1.00 0.00 O ATOM 432 CB VAL A 33 7.026 -3.502 -1.307 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.549 -3.838 -2.695 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.576 -3.045 -1.371 1.00 0.00 C ATOM 0 H VAL A 33 5.323 -5.703 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 33 8.190 -5.090 -0.422 1.00 0.00 H new ATOM 0 HB VAL A 33 7.624 -2.683 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.440 -2.970 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.602 -4.113 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.980 -4.672 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.494 -2.188 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.954 -3.858 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.240 -2.761 -0.374 1.00 0.00 H new ATOM 444 N GLN A 34 7.816 -3.561 1.665 1.00 0.00 N ATOM 445 CA GLN A 34 7.655 -3.079 3.032 1.00 0.00 C ATOM 446 C GLN A 34 7.482 -1.564 3.058 1.00 0.00 C ATOM 447 O GLN A 34 8.342 -0.823 2.581 1.00 0.00 O ATOM 448 CB GLN A 34 8.860 -3.483 3.883 1.00 0.00 C ATOM 449 CG GLN A 34 8.606 -3.391 5.379 1.00 0.00 C ATOM 450 CD GLN A 34 7.815 -4.570 5.910 1.00 0.00 C ATOM 451 OE1 GLN A 34 6.627 -4.717 5.619 1.00 0.00 O ATOM 452 NE2 GLN A 34 8.470 -5.418 6.694 1.00 0.00 N ATOM 0 H GLN A 34 8.702 -3.305 1.229 1.00 0.00 H new ATOM 0 HA GLN A 34 6.757 -3.535 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.144 -4.505 3.633 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.706 -2.845 3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.560 -3.333 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.067 -2.469 5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.454 -5.258 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.989 -6.230 7.081 1.00 0.00 H new ATOM 461 N VAL A 35 6.366 -1.110 3.618 1.00 0.00 N ATOM 462 CA VAL A 35 6.081 0.317 3.707 1.00 0.00 C ATOM 463 C VAL A 35 6.748 0.935 4.930 1.00 0.00 C ATOM 464 O VAL A 35 6.302 0.737 6.061 1.00 0.00 O ATOM 465 CB VAL A 35 4.565 0.584 3.772 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.294 2.045 4.099 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.898 0.189 2.463 1.00 0.00 C ATOM 0 H VAL A 35 5.644 -1.710 4.017 1.00 0.00 H new ATOM 0 HA VAL A 35 6.485 0.777 2.805 1.00 0.00 H new ATOM 0 HB VAL A 35 4.140 -0.027 4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.218 2.215 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.738 2.290 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.732 2.678 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.828 0.384 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.325 0.771 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.063 -0.872 2.276 1.00 0.00 H new ATOM 477 N LEU A 36 7.819 1.686 4.697 1.00 0.00 N ATOM 478 CA LEU A 36 8.549 2.335 5.781 1.00 0.00 C ATOM 479 C LEU A 36 7.786 3.550 6.300 1.00 0.00 C ATOM 480 O LEU A 36 7.351 3.576 7.451 1.00 0.00 O ATOM 481 CB LEU A 36 9.940 2.757 5.304 1.00 0.00 C ATOM 482 CG LEU A 36 10.809 1.650 4.707 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.069 2.236 4.089 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.163 0.619 5.769 1.00 0.00 C ATOM 0 H LEU A 36 8.201 1.861 3.768 1.00 0.00 H new ATOM 0 HA LEU A 36 8.653 1.619 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.823 3.542 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.474 3.196 6.147 1.00 0.00 H new ATOM 0 HG LEU A 36 10.241 1.152 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.675 1.434 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.795 2.936 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.641 2.760 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.782 -0.162 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.712 1.103 6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.249 0.176 6.165 1.00 0.00 H new ATOM 496 N GLU A 37 7.627 4.553 5.442 1.00 0.00 N ATOM 497 CA GLU A 37 6.915 5.770 5.815 1.00 0.00 C ATOM 498 C GLU A 37 5.700 5.986 4.917 1.00 0.00 C ATOM 499 O GLU A 37 5.534 5.309 3.903 1.00 0.00 O ATOM 500 CB GLU A 37 7.848 6.980 5.729 1.00 0.00 C ATOM 501 CG GLU A 37 7.316 8.210 6.444 1.00 0.00 C ATOM 502 CD GLU A 37 8.403 9.223 6.749 1.00 0.00 C ATOM 503 OE1 GLU A 37 9.040 9.716 5.794 1.00 0.00 O ATOM 504 OE2 GLU A 37 8.616 9.523 7.942 1.00 0.00 O ATOM 0 H GLU A 37 7.981 4.547 4.485 1.00 0.00 H new ATOM 0 HA GLU A 37 6.570 5.658 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.816 6.713 6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.017 7.224 4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.549 8.680 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.836 7.906 7.374 1.00 0.00 H new ATOM 511 N LYS A 38 4.852 6.935 5.299 1.00 0.00 N ATOM 512 CA LYS A 38 3.651 7.243 4.530 1.00 0.00 C ATOM 513 C LYS A 38 3.418 8.749 4.465 1.00 0.00 C ATOM 514 O LYS A 38 3.564 9.451 5.465 1.00 0.00 O ATOM 515 CB LYS A 38 2.433 6.554 5.149 1.00 0.00 C ATOM 516 CG LYS A 38 2.389 5.056 4.898 1.00 0.00 C ATOM 517 CD LYS A 38 1.022 4.477 5.220 1.00 0.00 C ATOM 518 CE LYS A 38 0.956 2.992 4.900 1.00 0.00 C ATOM 519 NZ LYS A 38 1.646 2.171 5.933 1.00 0.00 N ATOM 0 H LYS A 38 4.974 7.504 6.136 1.00 0.00 H new ATOM 0 HA LYS A 38 3.794 6.871 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.431 6.734 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.527 7.008 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.635 4.853 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.147 4.562 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.799 4.633 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.258 5.007 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.086 2.682 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.412 2.810 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.043 1.318 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.413 2.727 6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.965 1.894 6.668 1.00 0.00 H new ATOM 533 N GLN A 39 3.054 9.237 3.284 1.00 0.00 N ATOM 534 CA GLN A 39 2.800 10.660 3.091 1.00 0.00 C ATOM 535 C GLN A 39 1.303 10.945 3.052 1.00 0.00 C ATOM 536 O GLN A 39 0.506 10.077 2.698 1.00 0.00 O ATOM 537 CB GLN A 39 3.458 11.146 1.798 1.00 0.00 C ATOM 538 CG GLN A 39 4.977 11.134 1.846 1.00 0.00 C ATOM 539 CD GLN A 39 5.600 12.101 0.859 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.182 13.254 0.753 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.606 11.635 0.128 1.00 0.00 N ATOM 0 H GLN A 39 2.928 8.669 2.446 1.00 0.00 H new ATOM 0 HA GLN A 39 3.232 11.198 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.124 10.518 0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.118 12.159 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.307 11.387 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.335 10.126 1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.921 10.672 0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.064 12.240 -0.554 1.00 0.00 H new ATOM 550 N GLU A 40 0.928 12.167 3.418 1.00 0.00 N ATOM 551 CA GLU A 40 -0.475 12.565 3.426 1.00 0.00 C ATOM 552 C GLU A 40 -1.001 12.731 2.003 1.00 0.00 C ATOM 553 O GLU A 40 -2.162 13.084 1.796 1.00 0.00 O ATOM 554 CB GLU A 40 -0.653 13.871 4.203 1.00 0.00 C ATOM 555 CG GLU A 40 -0.143 15.095 3.461 1.00 0.00 C ATOM 556 CD GLU A 40 -0.417 16.386 4.208 1.00 0.00 C ATOM 557 OE1 GLU A 40 0.227 16.613 5.254 1.00 0.00 O ATOM 558 OE2 GLU A 40 -1.274 17.168 3.748 1.00 0.00 O ATOM 0 H GLU A 40 1.576 12.898 3.713 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.047 11.778 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.710 14.008 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.131 13.791 5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.930 14.995 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.613 15.141 2.478 1.00 0.00 H new ATOM 565 N SER A 41 -0.138 12.474 1.025 1.00 0.00 N ATOM 566 CA SER A 41 -0.513 12.599 -0.378 1.00 0.00 C ATOM 567 C SER A 41 -0.825 11.232 -0.981 1.00 0.00 C ATOM 568 O SER A 41 -1.335 11.135 -2.096 1.00 0.00 O ATOM 569 CB SER A 41 0.608 13.274 -1.170 1.00 0.00 C ATOM 570 OG SER A 41 0.188 13.582 -2.488 1.00 0.00 O ATOM 0 H SER A 41 0.826 12.178 1.179 1.00 0.00 H new ATOM 0 HA SER A 41 -1.410 13.216 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.918 14.187 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.478 12.618 -1.206 1.00 0.00 H new ATOM 0 HG SER A 41 -0.389 12.865 -2.823 1.00 0.00 H new ATOM 576 N GLY A 42 -0.514 10.178 -0.233 1.00 0.00 N ATOM 577 CA GLY A 42 -0.768 8.830 -0.709 1.00 0.00 C ATOM 578 C GLY A 42 0.508 8.087 -1.052 1.00 0.00 C ATOM 579 O GLY A 42 0.522 6.858 -1.108 1.00 0.00 O ATOM 0 H GLY A 42 -0.091 10.233 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.314 8.275 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.408 8.874 -1.590 1.00 0.00 H new ATOM 583 N TRP A 43 1.582 8.834 -1.284 1.00 0.00 N ATOM 584 CA TRP A 43 2.868 8.238 -1.626 1.00 0.00 C ATOM 585 C TRP A 43 3.545 7.658 -0.388 1.00 0.00 C ATOM 586 O TRP A 43 3.875 8.386 0.548 1.00 0.00 O ATOM 587 CB TRP A 43 3.778 9.279 -2.280 1.00 0.00 C ATOM 588 CG TRP A 43 3.302 9.718 -3.631 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.348 10.658 -3.899 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.757 9.233 -4.900 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.182 10.786 -5.257 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.035 9.924 -5.893 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.705 8.285 -5.293 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.233 9.694 -7.252 1.00 0.00 C ATOM 595 CZ3 TRP A 43 4.899 8.057 -6.642 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.167 8.760 -7.608 1.00 0.00 C ATOM 0 H TRP A 43 1.587 9.853 -1.241 1.00 0.00 H new ATOM 0 HA TRP A 43 2.689 7.428 -2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.850 10.149 -1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.782 8.866 -2.373 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.804 11.218 -3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.529 11.420 -5.717 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.276 7.740 -4.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.669 10.234 -7.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.627 7.324 -6.957 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.344 8.561 -8.655 1.00 0.00 H new ATOM 607 N TRP A 44 3.750 6.346 -0.392 1.00 0.00 N ATOM 608 CA TRP A 44 4.389 5.670 0.732 1.00 0.00 C ATOM 609 C TRP A 44 5.770 5.155 0.343 1.00 0.00 C ATOM 610 O TRP A 44 5.963 4.638 -0.758 1.00 0.00 O ATOM 611 CB TRP A 44 3.517 4.511 1.219 1.00 0.00 C ATOM 612 CG TRP A 44 2.089 4.901 1.453 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.610 6.157 1.693 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.955 4.027 1.473 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.247 6.117 1.860 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.180 4.822 1.729 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.786 2.651 1.297 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.461 4.285 1.814 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.486 2.119 1.382 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.597 2.935 1.638 1.00 0.00 C ATOM 0 H TRP A 44 3.484 5.729 -1.160 1.00 0.00 H new ATOM 0 HA TRP A 44 4.506 6.392 1.540 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.551 3.706 0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.935 4.115 2.145 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.214 7.051 1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.350 6.921 2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.635 2.014 1.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.318 4.912 2.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.627 1.057 1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.579 2.489 1.697 1.00 0.00 H new ATOM 631 N TYR A 45 6.728 5.298 1.252 1.00 0.00 N ATOM 632 CA TYR A 45 8.092 4.848 1.002 1.00 0.00 C ATOM 633 C TYR A 45 8.206 3.336 1.169 1.00 0.00 C ATOM 634 O TYR A 45 8.172 2.818 2.285 1.00 0.00 O ATOM 635 CB TYR A 45 9.065 5.552 1.950 1.00 0.00 C ATOM 636 CG TYR A 45 10.477 5.634 1.417 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.729 6.091 0.129 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.560 5.255 2.200 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.017 6.167 -0.363 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.852 5.329 1.717 1.00 0.00 C ATOM 641 CZ TYR A 45 13.076 5.786 0.435 1.00 0.00 C ATOM 642 OH TYR A 45 14.361 5.860 -0.051 1.00 0.00 O ATOM 0 H TYR A 45 6.585 5.722 2.169 1.00 0.00 H new ATOM 0 HA TYR A 45 8.349 5.102 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.701 6.560 2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.076 5.024 2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.903 6.392 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.389 4.896 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.194 6.523 -1.367 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.682 5.031 2.340 1.00 0.00 H new ATOM 0 HH TYR A 45 14.418 5.373 -0.899 1.00 0.00 H new ATOM 652 N VAL A 46 8.344 2.633 0.049 1.00 0.00 N ATOM 653 CA VAL A 46 8.465 1.180 0.069 1.00 0.00 C ATOM 654 C VAL A 46 9.912 0.747 -0.139 1.00 0.00 C ATOM 655 O VAL A 46 10.766 1.554 -0.506 1.00 0.00 O ATOM 656 CB VAL A 46 7.585 0.528 -1.014 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.149 0.398 -0.528 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.649 1.330 -2.305 1.00 0.00 C ATOM 0 H VAL A 46 8.375 3.046 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 46 8.126 0.848 1.050 1.00 0.00 H new ATOM 0 HB VAL A 46 7.967 -0.473 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.542 -0.065 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.123 -0.221 0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.752 1.387 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.022 0.856 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.292 2.344 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.679 1.366 -2.660 1.00 0.00 H new ATOM 668 N ARG A 47 10.180 -0.533 0.097 1.00 0.00 N ATOM 669 CA ARG A 47 11.524 -1.075 -0.064 1.00 0.00 C ATOM 670 C ARG A 47 11.497 -2.366 -0.877 1.00 0.00 C ATOM 671 O ARG A 47 10.831 -3.332 -0.505 1.00 0.00 O ATOM 672 CB ARG A 47 12.160 -1.334 1.303 1.00 0.00 C ATOM 673 CG ARG A 47 13.552 -1.939 1.223 1.00 0.00 C ATOM 674 CD ARG A 47 14.151 -2.142 2.606 1.00 0.00 C ATOM 675 NE ARG A 47 13.307 -2.984 3.450 1.00 0.00 N ATOM 676 CZ ARG A 47 13.715 -3.520 4.595 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.948 -3.302 5.031 1.00 0.00 N ATOM 678 NH2 ARG A 47 12.888 -4.275 5.307 1.00 0.00 N ATOM 0 H ARG A 47 9.484 -1.214 0.400 1.00 0.00 H new ATOM 0 HA ARG A 47 12.122 -0.340 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.213 -0.395 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.515 -2.002 1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.505 -2.895 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.200 -1.288 0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 47 15.137 -2.597 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.292 -1.173 3.086 1.00 0.00 H new ATOM 0 HE ARG A 47 12.352 -3.171 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.586 -2.721 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.258 -3.715 5.911 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.938 -4.444 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.202 -4.686 6.186 1.00 0.00 H new ATOM 692 N PHE A 48 12.225 -2.374 -1.989 1.00 0.00 N ATOM 693 CA PHE A 48 12.283 -3.545 -2.855 1.00 0.00 C ATOM 694 C PHE A 48 13.715 -4.057 -2.983 1.00 0.00 C ATOM 695 O PHE A 48 14.482 -3.585 -3.822 1.00 0.00 O ATOM 696 CB PHE A 48 11.724 -3.210 -4.240 1.00 0.00 C ATOM 697 CG PHE A 48 11.585 -4.407 -5.136 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.847 -5.509 -4.734 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.193 -4.430 -6.381 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.719 -6.612 -5.557 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.068 -5.530 -7.209 1.00 0.00 C ATOM 702 CZ PHE A 48 11.329 -6.622 -6.797 1.00 0.00 C ATOM 0 H PHE A 48 12.783 -1.583 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 48 11.674 -4.329 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.749 -2.737 -4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.377 -2.481 -4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.367 -5.506 -3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.771 -3.579 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.143 -7.465 -5.231 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.547 -5.536 -8.177 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.228 -7.482 -7.443 1.00 0.00 H new ATOM 712 N GLY A 49 14.068 -5.026 -2.144 1.00 0.00 N ATOM 713 CA GLY A 49 15.407 -5.585 -2.178 1.00 0.00 C ATOM 714 C GLY A 49 16.427 -4.690 -1.503 1.00 0.00 C ATOM 715 O GLY A 49 16.421 -4.543 -0.282 1.00 0.00 O ATOM 0 H GLY A 49 13.451 -5.434 -1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.403 -6.559 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.702 -5.750 -3.214 1.00 0.00 H new ATOM 719 N GLU A 50 17.306 -4.091 -2.300 1.00 0.00 N ATOM 720 CA GLU A 50 18.339 -3.207 -1.771 1.00 0.00 C ATOM 721 C GLU A 50 18.095 -1.765 -2.205 1.00 0.00 C ATOM 722 O GLU A 50 19.038 -1.002 -2.420 1.00 0.00 O ATOM 723 CB GLU A 50 19.722 -3.666 -2.238 1.00 0.00 C ATOM 724 CG GLU A 50 20.867 -3.011 -1.483 1.00 0.00 C ATOM 725 CD GLU A 50 22.183 -3.739 -1.675 1.00 0.00 C ATOM 726 OE1 GLU A 50 22.438 -4.215 -2.801 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.958 -3.832 -0.700 1.00 0.00 O ATOM 0 H GLU A 50 17.324 -4.201 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 50 18.298 -3.252 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.794 -4.748 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.828 -3.450 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.975 -1.979 -1.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.625 -2.978 -0.421 1.00 0.00 H new ATOM 734 N LEU A 51 16.825 -1.398 -2.332 1.00 0.00 N ATOM 735 CA LEU A 51 16.456 -0.047 -2.741 1.00 0.00 C ATOM 736 C LEU A 51 15.155 0.387 -2.074 1.00 0.00 C ATOM 737 O LEU A 51 14.351 -0.447 -1.657 1.00 0.00 O ATOM 738 CB LEU A 51 16.310 0.024 -4.262 1.00 0.00 C ATOM 739 CG LEU A 51 17.504 -0.479 -5.075 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.086 -0.778 -6.507 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.635 0.538 -5.048 1.00 0.00 C ATOM 0 H LEU A 51 16.033 -2.017 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 51 17.249 0.631 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.431 -0.553 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.117 1.060 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 51 17.864 -1.403 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.948 -1.135 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.310 -1.544 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.700 0.130 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.476 0.163 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.288 1.479 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.953 0.702 -4.018 1.00 0.00 H new ATOM 753 N GLU A 52 14.954 1.698 -1.978 1.00 0.00 N ATOM 754 CA GLU A 52 13.749 2.242 -1.362 1.00 0.00 C ATOM 755 C GLU A 52 13.213 3.423 -2.167 1.00 0.00 C ATOM 756 O GLU A 52 13.899 4.428 -2.346 1.00 0.00 O ATOM 757 CB GLU A 52 14.037 2.679 0.075 1.00 0.00 C ATOM 758 CG GLU A 52 14.211 1.519 1.041 1.00 0.00 C ATOM 759 CD GLU A 52 15.646 1.034 1.118 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.378 1.188 0.117 1.00 0.00 O ATOM 761 OE2 GLU A 52 16.037 0.501 2.177 1.00 0.00 O ATOM 0 H GLU A 52 15.609 2.402 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 52 12.992 1.458 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.940 3.289 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.221 3.312 0.424 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.881 1.825 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.569 0.694 0.732 1.00 0.00 H new ATOM 768 N GLY A 53 11.981 3.292 -2.649 1.00 0.00 N ATOM 769 CA GLY A 53 11.373 4.354 -3.430 1.00 0.00 C ATOM 770 C GLY A 53 9.988 4.718 -2.934 1.00 0.00 C ATOM 771 O GLY A 53 9.410 4.009 -2.110 1.00 0.00 O ATOM 0 H GLY A 53 11.393 2.470 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.011 5.237 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.312 4.044 -4.473 1.00 0.00 H new ATOM 775 N TRP A 54 9.454 5.826 -3.435 1.00 0.00 N ATOM 776 CA TRP A 54 8.128 6.283 -3.036 1.00 0.00 C ATOM 777 C TRP A 54 7.076 5.855 -4.053 1.00 0.00 C ATOM 778 O TRP A 54 6.999 6.408 -5.150 1.00 0.00 O ATOM 779 CB TRP A 54 8.116 7.805 -2.880 1.00 0.00 C ATOM 780 CG TRP A 54 8.999 8.295 -1.773 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.320 8.629 -1.865 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.623 8.506 -0.407 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.789 9.034 -0.638 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.767 8.969 0.272 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.432 8.351 0.307 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.753 9.275 1.630 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.420 8.656 1.655 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.573 9.114 2.305 1.00 0.00 C ATOM 0 H TRP A 54 9.919 6.424 -4.118 1.00 0.00 H new ATOM 0 HA TRP A 54 7.886 5.825 -2.077 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.433 8.262 -3.817 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.094 8.136 -2.694 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.909 8.582 -2.769 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.743 9.334 -0.438 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.537 7.999 -0.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.642 9.627 2.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.505 8.539 2.217 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.530 9.345 3.359 1.00 0.00 H new ATOM 799 N ALA A 55 6.266 4.869 -3.682 1.00 0.00 N ATOM 800 CA ALA A 55 5.217 4.369 -4.562 1.00 0.00 C ATOM 801 C ALA A 55 3.836 4.764 -4.049 1.00 0.00 C ATOM 802 O ALA A 55 3.588 4.821 -2.845 1.00 0.00 O ATOM 803 CB ALA A 55 5.319 2.857 -4.700 1.00 0.00 C ATOM 0 H ALA A 55 6.316 4.400 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 55 5.354 4.822 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.529 2.498 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.290 2.595 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.211 2.394 -3.719 1.00 0.00 H new ATOM 809 N PRO A 56 2.915 5.044 -4.983 1.00 0.00 N ATOM 810 CA PRO A 56 1.543 5.438 -4.649 1.00 0.00 C ATOM 811 C PRO A 56 0.737 4.287 -4.058 1.00 0.00 C ATOM 812 O PRO A 56 0.902 3.133 -4.454 1.00 0.00 O ATOM 813 CB PRO A 56 0.958 5.864 -5.998 1.00 0.00 C ATOM 814 CG PRO A 56 1.756 5.117 -7.010 1.00 0.00 C ATOM 815 CD PRO A 56 3.141 4.996 -6.438 1.00 0.00 C ATOM 0 HA PRO A 56 1.517 6.221 -3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.101 5.615 -6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.042 6.941 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.325 4.134 -7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.772 5.647 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.620 4.065 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.786 5.809 -6.771 1.00 0.00 H new ATOM 823 N SER A 57 -0.136 4.608 -3.108 1.00 0.00 N ATOM 824 CA SER A 57 -0.966 3.599 -2.460 1.00 0.00 C ATOM 825 C SER A 57 -1.963 3.001 -3.447 1.00 0.00 C ATOM 826 O SER A 57 -2.471 1.898 -3.242 1.00 0.00 O ATOM 827 CB SER A 57 -1.711 4.209 -1.271 1.00 0.00 C ATOM 828 OG SER A 57 -2.644 5.185 -1.700 1.00 0.00 O ATOM 0 H SER A 57 -0.287 5.559 -2.770 1.00 0.00 H new ATOM 0 HA SER A 57 -0.314 2.802 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.229 3.424 -0.721 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.996 4.662 -0.584 1.00 0.00 H new ATOM 0 HG SER A 57 -3.108 5.558 -0.922 1.00 0.00 H new ATOM 834 N HIS A 58 -2.239 3.736 -4.519 1.00 0.00 N ATOM 835 CA HIS A 58 -3.176 3.279 -5.540 1.00 0.00 C ATOM 836 C HIS A 58 -2.679 1.993 -6.195 1.00 0.00 C ATOM 837 O HIS A 58 -3.474 1.145 -6.602 1.00 0.00 O ATOM 838 CB HIS A 58 -3.376 4.361 -6.600 1.00 0.00 C ATOM 839 CG HIS A 58 -3.654 5.717 -6.027 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.686 6.690 -5.894 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.799 6.260 -5.553 1.00 0.00 C ATOM 842 CE1 HIS A 58 -3.224 7.773 -5.361 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.506 7.538 -5.145 1.00 0.00 N ATOM 0 H HIS A 58 -1.827 4.651 -4.704 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.131 3.075 -5.057 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.484 4.415 -7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.203 4.073 -7.249 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.764 5.778 -5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.704 8.693 -5.140 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.170 8.198 -4.741 1.00 0.00 H new ATOM 852 N TYR A 59 -1.362 1.857 -6.296 1.00 0.00 N ATOM 853 CA TYR A 59 -0.760 0.677 -6.905 1.00 0.00 C ATOM 854 C TYR A 59 -0.693 -0.477 -5.908 1.00 0.00 C ATOM 855 O TYR A 59 -0.952 -1.629 -6.256 1.00 0.00 O ATOM 856 CB TYR A 59 0.643 1.002 -7.420 1.00 0.00 C ATOM 857 CG TYR A 59 0.647 1.872 -8.657 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.090 3.050 -8.704 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.386 1.517 -9.778 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.090 3.848 -9.832 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.393 2.309 -10.910 1.00 0.00 C ATOM 862 CZ TYR A 59 0.653 3.473 -10.932 1.00 0.00 C ATOM 863 OH TYR A 59 0.657 4.265 -12.058 1.00 0.00 O ATOM 0 H TYR A 59 -0.691 2.549 -5.964 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.386 0.373 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.203 1.504 -6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.165 0.071 -7.639 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.672 3.346 -7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.965 0.606 -9.765 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.668 4.760 -9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.974 2.019 -11.773 1.00 0.00 H new ATOM 0 HH TYR A 59 1.231 3.860 -12.741 1.00 0.00 H new ATOM 873 N LEU A 60 -0.343 -0.157 -4.667 1.00 0.00 N ATOM 874 CA LEU A 60 -0.242 -1.166 -3.618 1.00 0.00 C ATOM 875 C LEU A 60 -1.616 -1.730 -3.270 1.00 0.00 C ATOM 876 O LEU A 60 -2.624 -1.026 -3.341 1.00 0.00 O ATOM 877 CB LEU A 60 0.407 -0.567 -2.368 1.00 0.00 C ATOM 878 CG LEU A 60 1.839 -0.058 -2.535 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.242 0.800 -1.345 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.803 -1.223 -2.705 1.00 0.00 C ATOM 0 H LEU A 60 -0.125 0.792 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 60 0.381 -1.980 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.213 0.260 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.400 -1.322 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 60 1.883 0.558 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.264 1.154 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.570 1.654 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.181 0.207 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.817 -0.842 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.756 -1.865 -1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.527 -1.798 -3.589 1.00 0.00 H new ATOM 892 N VAL A 61 -1.649 -3.004 -2.892 1.00 0.00 N ATOM 893 CA VAL A 61 -2.899 -3.662 -2.529 1.00 0.00 C ATOM 894 C VAL A 61 -3.047 -3.764 -1.015 1.00 0.00 C ATOM 895 O VAL A 61 -2.200 -4.346 -0.336 1.00 0.00 O ATOM 896 CB VAL A 61 -2.987 -5.073 -3.140 1.00 0.00 C ATOM 897 CG1 VAL A 61 -4.252 -5.778 -2.675 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.934 -5.001 -4.658 1.00 0.00 C ATOM 0 H VAL A 61 -0.824 -3.601 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.708 -3.050 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.130 -5.652 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.297 -6.773 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.242 -5.863 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.124 -5.203 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.997 -6.007 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.770 -4.405 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.996 -4.539 -4.968 1.00 0.00 H new ATOM 908 N LEU A 62 -4.128 -3.196 -0.493 1.00 0.00 N ATOM 909 CA LEU A 62 -4.389 -3.223 0.942 1.00 0.00 C ATOM 910 C LEU A 62 -5.840 -3.597 1.225 1.00 0.00 C ATOM 911 O LEU A 62 -6.762 -3.052 0.617 1.00 0.00 O ATOM 912 CB LEU A 62 -4.070 -1.863 1.565 1.00 0.00 C ATOM 913 CG LEU A 62 -4.865 -0.674 1.023 1.00 0.00 C ATOM 914 CD1 LEU A 62 -4.994 0.409 2.083 1.00 0.00 C ATOM 915 CD2 LEU A 62 -4.207 -0.120 -0.232 1.00 0.00 C ATOM 0 H LEU A 62 -4.838 -2.711 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.744 -3.980 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.240 -1.929 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.009 -1.660 1.422 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.866 -1.019 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.562 1.247 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.511 0.006 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.002 0.751 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.786 0.725 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.195 0.209 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.168 -0.897 -0.996 1.00 0.00 H new ATOM 927 N ASP A 63 -6.037 -4.528 2.152 1.00 0.00 N ATOM 928 CA ASP A 63 -7.376 -4.972 2.518 1.00 0.00 C ATOM 929 C ASP A 63 -7.738 -4.507 3.925 1.00 0.00 C ATOM 930 O ASP A 63 -7.049 -4.830 4.891 1.00 0.00 O ATOM 931 CB ASP A 63 -7.473 -6.496 2.431 1.00 0.00 C ATOM 932 CG ASP A 63 -8.706 -7.039 3.126 1.00 0.00 C ATOM 933 OD1 ASP A 63 -9.822 -6.585 2.797 1.00 0.00 O ATOM 934 OD2 ASP A 63 -8.555 -7.919 4.000 1.00 0.00 O ATOM 0 H ASP A 63 -5.285 -4.990 2.664 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.083 -4.530 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.488 -6.797 1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.583 -6.940 2.877 1.00 0.00 H new ATOM 939 N GLU A 64 -8.822 -3.745 4.030 1.00 0.00 N ATOM 940 CA GLU A 64 -9.273 -3.234 5.319 1.00 0.00 C ATOM 941 C GLU A 64 -10.747 -3.558 5.548 1.00 0.00 C ATOM 942 O GLU A 64 -11.618 -3.076 4.826 1.00 0.00 O ATOM 943 CB GLU A 64 -9.054 -1.722 5.398 1.00 0.00 C ATOM 944 CG GLU A 64 -9.618 -1.090 6.660 1.00 0.00 C ATOM 945 CD GLU A 64 -9.026 -1.682 7.924 1.00 0.00 C ATOM 946 OE1 GLU A 64 -7.814 -1.985 7.925 1.00 0.00 O ATOM 947 OE2 GLU A 64 -9.773 -1.843 8.911 1.00 0.00 O ATOM 0 H GLU A 64 -9.404 -3.468 3.239 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.687 -3.720 6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.985 -1.515 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.514 -1.251 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.426 -0.017 6.641 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.700 -1.220 6.675 1.00 0.00 H new ATOM 954 N ASN A 65 -11.017 -4.379 6.558 1.00 0.00 N ATOM 955 CA ASN A 65 -12.384 -4.769 6.881 1.00 0.00 C ATOM 956 C ASN A 65 -12.510 -5.137 8.357 1.00 0.00 C ATOM 957 O ASN A 65 -11.520 -5.161 9.087 1.00 0.00 O ATOM 958 CB ASN A 65 -12.819 -5.950 6.011 1.00 0.00 C ATOM 959 CG ASN A 65 -14.324 -6.140 6.006 1.00 0.00 C ATOM 960 OD1 ASN A 65 -14.861 -6.948 6.763 1.00 0.00 O ATOM 961 ND2 ASN A 65 -15.012 -5.395 5.148 1.00 0.00 N ATOM 0 H ASN A 65 -10.307 -4.787 7.166 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.035 -3.919 6.679 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.472 -5.793 4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.342 -6.860 6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.027 -5.480 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.525 -4.738 4.539 1.00 0.00 H new ATOM 968 N GLU A 66 -13.735 -5.423 8.787 1.00 0.00 N ATOM 969 CA GLU A 66 -13.990 -5.789 10.175 1.00 0.00 C ATOM 970 C GLU A 66 -13.330 -7.122 10.516 1.00 0.00 C ATOM 971 O GLU A 66 -13.690 -8.162 9.967 1.00 0.00 O ATOM 972 CB GLU A 66 -15.495 -5.872 10.436 1.00 0.00 C ATOM 973 CG GLU A 66 -16.213 -4.540 10.287 1.00 0.00 C ATOM 974 CD GLU A 66 -15.899 -3.579 11.417 1.00 0.00 C ATOM 975 OE1 GLU A 66 -16.002 -3.991 12.592 1.00 0.00 O ATOM 976 OE2 GLU A 66 -15.551 -2.415 11.127 1.00 0.00 O ATOM 0 H GLU A 66 -14.565 -5.408 8.195 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.560 -5.016 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.936 -6.592 9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.660 -6.254 11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.931 -4.084 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.289 -4.713 10.251 1.00 0.00 H new ATOM 983 N GLN A 67 -12.361 -7.080 11.426 1.00 0.00 N ATOM 984 CA GLN A 67 -11.649 -8.284 11.839 1.00 0.00 C ATOM 985 C GLN A 67 -11.665 -8.431 13.357 1.00 0.00 C ATOM 986 O GLN A 67 -11.590 -7.453 14.101 1.00 0.00 O ATOM 987 CB GLN A 67 -10.206 -8.247 11.333 1.00 0.00 C ATOM 988 CG GLN A 67 -9.299 -7.340 12.148 1.00 0.00 C ATOM 989 CD GLN A 67 -9.555 -5.869 11.883 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.461 -5.405 10.746 1.00 0.00 O ATOM 991 NE2 GLN A 67 -9.881 -5.126 12.935 1.00 0.00 N ATOM 0 H GLN A 67 -12.052 -6.226 11.891 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.157 -9.144 11.403 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.800 -9.258 11.344 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.202 -7.913 10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.444 -7.545 13.209 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.259 -7.571 11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.947 -5.552 13.859 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.065 -4.130 12.818 1.00 0.00 H new ATOM 1000 N PRO A 68 -11.766 -9.683 13.829 1.00 0.00 N ATOM 1001 CA PRO A 68 -11.794 -9.988 15.262 1.00 0.00 C ATOM 1002 C PRO A 68 -10.448 -9.738 15.935 1.00 0.00 C ATOM 1003 O PRO A 68 -9.434 -10.319 15.550 1.00 0.00 O ATOM 1004 CB PRO A 68 -12.142 -11.478 15.301 1.00 0.00 C ATOM 1005 CG PRO A 68 -11.672 -12.011 13.991 1.00 0.00 C ATOM 1006 CD PRO A 68 -11.859 -10.896 13.000 1.00 0.00 C ATOM 0 HA PRO A 68 -12.502 -9.356 15.799 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.647 -11.979 16.133 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.214 -11.631 15.429 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.626 -12.314 14.045 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.244 -12.892 13.700 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.092 -10.913 12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.823 -10.965 12.495 1.00 0.00 H new ATOM 1014 N ASP A 69 -10.447 -8.870 16.941 1.00 0.00 N ATOM 1015 CA ASP A 69 -9.226 -8.544 17.668 1.00 0.00 C ATOM 1016 C ASP A 69 -8.297 -9.752 17.738 1.00 0.00 C ATOM 1017 O ASP A 69 -8.431 -10.620 18.601 1.00 0.00 O ATOM 1018 CB ASP A 69 -9.561 -8.060 19.079 1.00 0.00 C ATOM 1019 CG ASP A 69 -8.473 -7.180 19.663 1.00 0.00 C ATOM 1020 OD1 ASP A 69 -8.096 -6.187 19.006 1.00 0.00 O ATOM 1021 OD2 ASP A 69 -8.000 -7.484 20.778 1.00 0.00 O ATOM 0 H ASP A 69 -11.278 -8.380 17.271 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.714 -7.745 17.131 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.499 -7.506 19.057 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.715 -8.922 19.729 1.00 0.00 H new ATOM 1026 N PRO A 70 -7.331 -9.811 16.809 1.00 0.00 N ATOM 1027 CA PRO A 70 -6.361 -10.908 16.745 1.00 0.00 C ATOM 1028 C PRO A 70 -5.375 -10.880 17.908 1.00 0.00 C ATOM 1029 O PRO A 70 -5.591 -10.183 18.900 1.00 0.00 O ATOM 1030 CB PRO A 70 -5.633 -10.661 15.421 1.00 0.00 C ATOM 1031 CG PRO A 70 -5.776 -9.198 15.178 1.00 0.00 C ATOM 1032 CD PRO A 70 -7.111 -8.811 15.751 1.00 0.00 C ATOM 0 HA PRO A 70 -6.845 -11.883 16.806 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.584 -10.951 15.486 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.075 -11.242 14.612 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.970 -8.642 15.657 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.729 -8.973 14.113 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.097 -7.798 16.152 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.897 -8.845 14.997 1.00 0.00 H new ATOM 1040 N SER A 71 -4.294 -11.642 17.780 1.00 0.00 N ATOM 1041 CA SER A 71 -3.276 -11.706 18.823 1.00 0.00 C ATOM 1042 C SER A 71 -1.953 -11.130 18.328 1.00 0.00 C ATOM 1043 O SER A 71 -1.683 -11.109 17.128 1.00 0.00 O ATOM 1044 CB SER A 71 -3.077 -13.152 19.281 1.00 0.00 C ATOM 1045 OG SER A 71 -4.075 -13.535 20.212 1.00 0.00 O ATOM 0 H SER A 71 -4.100 -12.224 16.965 1.00 0.00 H new ATOM 0 HA SER A 71 -3.618 -11.108 19.668 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.106 -13.817 18.418 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.092 -13.261 19.734 1.00 0.00 H new ATOM 0 HG SER A 71 -3.926 -14.464 20.488 1.00 0.00 H new ATOM 1051 N GLY A 72 -1.131 -10.664 19.262 1.00 0.00 N ATOM 1052 CA GLY A 72 0.154 -10.094 18.902 1.00 0.00 C ATOM 1053 C GLY A 72 0.630 -9.059 19.903 1.00 0.00 C ATOM 1054 O GLY A 72 -0.107 -8.137 20.252 1.00 0.00 O ATOM 0 H GLY A 72 -1.332 -10.671 20.262 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.894 -10.891 18.828 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.081 -9.635 17.916 1.00 0.00 H new ATOM 1058 N LYS A 73 1.866 -9.212 20.367 1.00 0.00 N ATOM 1059 CA LYS A 73 2.440 -8.285 21.334 1.00 0.00 C ATOM 1060 C LYS A 73 3.962 -8.388 21.349 1.00 0.00 C ATOM 1061 O LYS A 73 4.518 -9.484 21.401 1.00 0.00 O ATOM 1062 CB LYS A 73 1.886 -8.565 22.733 1.00 0.00 C ATOM 1063 CG LYS A 73 2.044 -7.400 23.695 1.00 0.00 C ATOM 1064 CD LYS A 73 0.961 -6.355 23.488 1.00 0.00 C ATOM 1065 CE LYS A 73 -0.290 -6.682 24.289 1.00 0.00 C ATOM 1066 NZ LYS A 73 -1.302 -5.593 24.207 1.00 0.00 N ATOM 0 H LYS A 73 2.489 -9.970 20.088 1.00 0.00 H new ATOM 0 HA LYS A 73 2.164 -7.273 21.037 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.829 -8.817 22.652 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.391 -9.438 23.147 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.006 -7.766 24.721 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.024 -6.943 23.556 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.338 -5.376 23.783 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.711 -6.294 22.429 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.725 -7.611 23.920 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.020 -6.849 25.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.139 -5.854 24.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.896 -4.713 24.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.579 -5.450 23.215 1.00 0.00 H new ATOM 1080 N GLU A 74 4.629 -7.239 21.304 1.00 0.00 N ATOM 1081 CA GLU A 74 6.087 -7.202 21.313 1.00 0.00 C ATOM 1082 C GLU A 74 6.594 -5.861 21.836 1.00 0.00 C ATOM 1083 O GLU A 74 5.855 -4.878 21.873 1.00 0.00 O ATOM 1084 CB GLU A 74 6.634 -7.453 19.906 1.00 0.00 C ATOM 1085 CG GLU A 74 6.202 -8.783 19.314 1.00 0.00 C ATOM 1086 CD GLU A 74 7.057 -9.201 18.133 1.00 0.00 C ATOM 1087 OE1 GLU A 74 8.239 -9.542 18.346 1.00 0.00 O ATOM 1088 OE2 GLU A 74 6.542 -9.187 16.995 1.00 0.00 O ATOM 0 H GLU A 74 4.184 -6.322 21.261 1.00 0.00 H new ATOM 0 HA GLU A 74 6.441 -7.989 21.979 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.305 -6.648 19.249 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.723 -7.415 19.936 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.252 -9.553 20.084 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.161 -8.715 18.998 1.00 0.00 H new ATOM 1095 N SER A 75 7.860 -5.831 22.240 1.00 0.00 N ATOM 1096 CA SER A 75 8.466 -4.613 22.766 1.00 0.00 C ATOM 1097 C SER A 75 9.614 -4.149 21.874 1.00 0.00 C ATOM 1098 O SER A 75 10.382 -4.960 21.360 1.00 0.00 O ATOM 1099 CB SER A 75 8.972 -4.844 24.191 1.00 0.00 C ATOM 1100 OG SER A 75 7.929 -5.294 25.037 1.00 0.00 O ATOM 0 H SER A 75 8.486 -6.636 22.213 1.00 0.00 H new ATOM 0 HA SER A 75 7.704 -3.834 22.782 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.777 -5.579 24.179 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.391 -3.918 24.586 1.00 0.00 H new ATOM 0 HG SER A 75 8.279 -5.436 25.941 1.00 0.00 H new ATOM 1106 N GLY A 76 9.723 -2.835 21.696 1.00 0.00 N ATOM 1107 CA GLY A 76 10.779 -2.285 20.867 1.00 0.00 C ATOM 1108 C GLY A 76 11.393 -1.034 21.465 1.00 0.00 C ATOM 1109 O GLY A 76 11.205 0.075 20.965 1.00 0.00 O ATOM 0 H GLY A 76 9.099 -2.143 22.111 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.556 -3.037 20.728 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.379 -2.054 19.880 1.00 0.00 H new ATOM 1113 N PRO A 77 12.145 -1.206 22.562 1.00 0.00 N ATOM 1114 CA PRO A 77 12.803 -0.092 23.253 1.00 0.00 C ATOM 1115 C PRO A 77 13.949 0.498 22.440 1.00 0.00 C ATOM 1116 O PRO A 77 14.753 -0.232 21.860 1.00 0.00 O ATOM 1117 CB PRO A 77 13.333 -0.736 24.537 1.00 0.00 C ATOM 1118 CG PRO A 77 13.501 -2.176 24.197 1.00 0.00 C ATOM 1119 CD PRO A 77 12.412 -2.500 23.212 1.00 0.00 C ATOM 0 HA PRO A 77 12.121 0.740 23.427 1.00 0.00 H new ATOM 0 HB2 PRO A 77 14.279 -0.289 24.843 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.635 -0.603 25.364 1.00 0.00 H new ATOM 0 HG2 PRO A 77 14.485 -2.363 23.766 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.419 -2.799 25.088 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.732 -3.253 22.492 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.524 -2.891 23.709 1.00 0.00 H new ATOM 1127 N SER A 78 14.019 1.825 22.402 1.00 0.00 N ATOM 1128 CA SER A 78 15.067 2.514 21.656 1.00 0.00 C ATOM 1129 C SER A 78 15.775 3.539 22.536 1.00 0.00 C ATOM 1130 O SER A 78 15.432 4.721 22.532 1.00 0.00 O ATOM 1131 CB SER A 78 14.476 3.204 20.425 1.00 0.00 C ATOM 1132 OG SER A 78 14.401 2.311 19.327 1.00 0.00 O ATOM 0 H SER A 78 13.363 2.444 22.878 1.00 0.00 H new ATOM 0 HA SER A 78 15.797 1.772 21.333 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.481 3.582 20.659 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.089 4.064 20.157 1.00 0.00 H new ATOM 0 HG SER A 78 14.018 2.775 18.553 1.00 0.00 H new ATOM 1138 N SER A 79 16.767 3.076 23.292 1.00 0.00 N ATOM 1139 CA SER A 79 17.522 3.951 24.181 1.00 0.00 C ATOM 1140 C SER A 79 18.362 4.943 23.382 1.00 0.00 C ATOM 1141 O SER A 79 19.484 4.641 22.978 1.00 0.00 O ATOM 1142 CB SER A 79 18.425 3.124 25.098 1.00 0.00 C ATOM 1143 OG SER A 79 19.346 2.352 24.346 1.00 0.00 O ATOM 0 H SER A 79 17.066 2.101 23.306 1.00 0.00 H new ATOM 0 HA SER A 79 16.812 4.510 24.790 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.967 3.786 25.773 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.815 2.466 25.717 1.00 0.00 H new ATOM 0 HG SER A 79 19.740 2.907 23.641 1.00 0.00 H new ATOM 1149 N GLY A 80 17.808 6.131 23.157 1.00 0.00 N ATOM 1150 CA GLY A 80 18.518 7.151 22.407 1.00 0.00 C ATOM 1151 C GLY A 80 19.294 6.576 21.239 1.00 0.00 C ATOM 1152 O GLY A 80 18.725 6.302 20.182 1.00 0.00 O ATOM 0 H GLY A 80 16.880 6.405 23.481 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.805 7.889 22.038 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.204 7.675 23.072 1.00 0.00 H new TER 1156 GLY A 80