USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.66) USER MOD Single : A 12 CYS SG : rot -92:sc= 0.421 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 31 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.085) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0102 F(o=-0.92,f=-0.01) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0757 X(o=-0.076,f=-0.17) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-3.5!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.483 F(o=-3,f=-0.48) USER MOD Single : A 51 SER OG : rot 36:sc= 0.126 USER MOD Single : A 53 SER OG : rot -110:sc= -1.32 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.202 K(o=-0.2,f=-2.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.91 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= -1.61 (180deg=-1.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.076 9.438 31.643 1.00 0.00 N ATOM 2 CA GLY A 1 11.838 9.992 31.127 1.00 0.00 C ATOM 3 C GLY A 1 12.039 11.340 30.463 1.00 0.00 C ATOM 4 O GLY A 1 12.839 11.470 29.536 1.00 0.00 O ATOM 0 H1 GLY A 1 12.886 8.517 32.087 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.752 9.313 30.863 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.479 10.086 32.350 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.404 9.297 30.408 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.122 10.095 31.942 1.00 0.00 H new ATOM 8 N SER A 2 11.311 12.346 30.937 1.00 0.00 N ATOM 9 CA SER A 2 11.409 13.690 30.380 1.00 0.00 C ATOM 10 C SER A 2 11.338 13.653 28.856 1.00 0.00 C ATOM 11 O SER A 2 12.149 14.275 28.171 1.00 0.00 O ATOM 12 CB SER A 2 12.713 14.356 30.825 1.00 0.00 C ATOM 13 OG SER A 2 12.710 14.600 32.221 1.00 0.00 O ATOM 0 H SER A 2 10.647 12.256 31.706 1.00 0.00 H new ATOM 0 HA SER A 2 10.566 14.273 30.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.558 13.718 30.566 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.847 15.295 30.289 1.00 0.00 H new ATOM 0 HG SER A 2 13.554 15.024 32.481 1.00 0.00 H new ATOM 19 N SER A 3 10.362 12.918 28.333 1.00 0.00 N ATOM 20 CA SER A 3 10.186 12.795 26.891 1.00 0.00 C ATOM 21 C SER A 3 9.121 13.765 26.389 1.00 0.00 C ATOM 22 O SER A 3 8.288 14.243 27.158 1.00 0.00 O ATOM 23 CB SER A 3 9.800 11.361 26.523 1.00 0.00 C ATOM 24 OG SER A 3 10.866 10.464 26.782 1.00 0.00 O ATOM 0 H SER A 3 9.681 12.399 28.887 1.00 0.00 H new ATOM 0 HA SER A 3 11.133 13.043 26.412 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.921 11.060 27.093 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.528 11.313 25.468 1.00 0.00 H new ATOM 0 HG SER A 3 10.594 9.554 26.540 1.00 0.00 H new ATOM 30 N GLY A 4 9.155 14.053 25.091 1.00 0.00 N ATOM 31 CA GLY A 4 8.189 14.964 24.507 1.00 0.00 C ATOM 32 C GLY A 4 8.842 16.029 23.648 1.00 0.00 C ATOM 33 O GLY A 4 10.068 16.115 23.579 1.00 0.00 O ATOM 0 H GLY A 4 9.835 13.671 24.434 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.480 14.398 23.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.618 15.443 25.303 1.00 0.00 H new ATOM 37 N SER A 5 8.021 16.843 22.992 1.00 0.00 N ATOM 38 CA SER A 5 8.526 17.904 22.128 1.00 0.00 C ATOM 39 C SER A 5 7.863 19.237 22.462 1.00 0.00 C ATOM 40 O SER A 5 6.778 19.275 23.043 1.00 0.00 O ATOM 41 CB SER A 5 8.282 17.554 20.659 1.00 0.00 C ATOM 42 OG SER A 5 6.940 17.818 20.288 1.00 0.00 O ATOM 0 H SER A 5 7.004 16.788 23.042 1.00 0.00 H new ATOM 0 HA SER A 5 9.599 17.998 22.298 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.957 18.131 20.027 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.509 16.501 20.490 1.00 0.00 H new ATOM 0 HG SER A 5 6.810 17.588 19.344 1.00 0.00 H new ATOM 48 N SER A 6 8.524 20.329 22.091 1.00 0.00 N ATOM 49 CA SER A 6 8.003 21.665 22.354 1.00 0.00 C ATOM 50 C SER A 6 8.224 22.580 21.153 1.00 0.00 C ATOM 51 O SER A 6 9.360 22.836 20.755 1.00 0.00 O ATOM 52 CB SER A 6 8.670 22.261 23.594 1.00 0.00 C ATOM 53 OG SER A 6 8.115 21.721 24.781 1.00 0.00 O ATOM 0 H SER A 6 9.422 20.314 21.607 1.00 0.00 H new ATOM 0 HA SER A 6 6.931 21.582 22.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.741 22.061 23.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.548 23.344 23.592 1.00 0.00 H new ATOM 0 HG SER A 6 8.560 22.117 25.560 1.00 0.00 H new ATOM 59 N GLY A 7 7.129 23.071 20.581 1.00 0.00 N ATOM 60 CA GLY A 7 7.224 23.953 19.432 1.00 0.00 C ATOM 61 C GLY A 7 6.443 23.437 18.240 1.00 0.00 C ATOM 62 O GLY A 7 6.905 22.548 17.524 1.00 0.00 O ATOM 0 H GLY A 7 6.178 22.874 20.893 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.854 24.941 19.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.271 24.070 19.153 1.00 0.00 H new ATOM 66 N SER A 8 5.255 23.994 18.026 1.00 0.00 N ATOM 67 CA SER A 8 4.406 23.581 16.915 1.00 0.00 C ATOM 68 C SER A 8 5.231 23.369 15.650 1.00 0.00 C ATOM 69 O SER A 8 6.357 23.855 15.542 1.00 0.00 O ATOM 70 CB SER A 8 3.319 24.627 16.660 1.00 0.00 C ATOM 71 OG SER A 8 2.281 24.529 17.619 1.00 0.00 O ATOM 0 H SER A 8 4.859 24.732 18.608 1.00 0.00 H new ATOM 0 HA SER A 8 3.935 22.635 17.182 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.756 25.625 16.693 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.908 24.492 15.660 1.00 0.00 H new ATOM 0 HG SER A 8 1.600 25.209 17.435 1.00 0.00 H new ATOM 77 N GLN A 9 4.662 22.641 14.695 1.00 0.00 N ATOM 78 CA GLN A 9 5.345 22.364 13.437 1.00 0.00 C ATOM 79 C GLN A 9 4.621 23.024 12.268 1.00 0.00 C ATOM 80 O GLN A 9 5.210 23.803 11.520 1.00 0.00 O ATOM 81 CB GLN A 9 5.441 20.855 13.206 1.00 0.00 C ATOM 82 CG GLN A 9 6.500 20.176 14.059 1.00 0.00 C ATOM 83 CD GLN A 9 6.855 18.791 13.555 1.00 0.00 C ATOM 84 OE1 GLN A 9 6.977 18.568 12.350 1.00 0.00 O ATOM 85 NE2 GLN A 9 7.023 17.850 14.476 1.00 0.00 N ATOM 0 H GLN A 9 3.730 22.232 14.768 1.00 0.00 H new ATOM 0 HA GLN A 9 6.351 22.780 13.499 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.472 20.401 13.415 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.660 20.670 12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.398 20.793 14.076 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.143 20.104 15.086 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.912 18.078 15.464 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.263 16.899 14.196 1.00 0.00 H new ATOM 94 N GLY A 10 3.339 22.706 12.116 1.00 0.00 N ATOM 95 CA GLY A 10 2.556 23.277 11.035 1.00 0.00 C ATOM 96 C GLY A 10 2.077 22.229 10.050 1.00 0.00 C ATOM 97 O GLY A 10 2.839 21.347 9.653 1.00 0.00 O ATOM 0 H GLY A 10 2.829 22.063 12.722 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.695 23.800 11.451 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.156 24.019 10.508 1.00 0.00 H new ATOM 101 N ASP A 11 0.812 22.323 9.657 1.00 0.00 N ATOM 102 CA ASP A 11 0.232 21.375 8.712 1.00 0.00 C ATOM 103 C ASP A 11 1.152 21.171 7.513 1.00 0.00 C ATOM 104 O ASP A 11 1.997 22.016 7.215 1.00 0.00 O ATOM 105 CB ASP A 11 -1.139 21.865 8.242 1.00 0.00 C ATOM 106 CG ASP A 11 -1.036 22.901 7.140 1.00 0.00 C ATOM 107 OD1 ASP A 11 -0.839 24.092 7.460 1.00 0.00 O ATOM 108 OD2 ASP A 11 -1.153 22.521 5.956 1.00 0.00 O ATOM 0 H ASP A 11 0.168 23.046 9.978 1.00 0.00 H new ATOM 0 HA ASP A 11 0.112 20.419 9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.723 21.016 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.679 22.291 9.088 1.00 0.00 H new ATOM 113 N CYS A 12 0.983 20.045 6.829 1.00 0.00 N ATOM 114 CA CYS A 12 1.799 19.728 5.663 1.00 0.00 C ATOM 115 C CYS A 12 0.956 19.729 4.392 1.00 0.00 C ATOM 116 O CYS A 12 -0.158 19.205 4.374 1.00 0.00 O ATOM 117 CB CYS A 12 2.474 18.367 5.841 1.00 0.00 C ATOM 118 SG CYS A 12 3.807 18.045 4.663 1.00 0.00 S ATOM 0 H CYS A 12 0.288 19.336 7.062 1.00 0.00 H new ATOM 0 HA CYS A 12 2.566 20.496 5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.874 18.301 6.853 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.721 17.585 5.744 1.00 0.00 H new ATOM 0 HG CYS A 12 3.329 17.423 3.626 1.00 0.00 H new ATOM 124 N SER A 13 1.494 20.324 3.332 1.00 0.00 N ATOM 125 CA SER A 13 0.788 20.398 2.058 1.00 0.00 C ATOM 126 C SER A 13 1.148 19.212 1.168 1.00 0.00 C ATOM 127 O SER A 13 0.282 18.424 0.785 1.00 0.00 O ATOM 128 CB SER A 13 1.123 21.708 1.341 1.00 0.00 C ATOM 129 OG SER A 13 0.047 22.130 0.521 1.00 0.00 O ATOM 0 H SER A 13 2.415 20.761 3.330 1.00 0.00 H new ATOM 0 HA SER A 13 -0.282 20.366 2.261 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.349 22.481 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.018 21.575 0.733 1.00 0.00 H new ATOM 0 HG SER A 13 0.285 22.970 0.075 1.00 0.00 H new ATOM 135 N TYR A 14 2.430 19.092 0.842 1.00 0.00 N ATOM 136 CA TYR A 14 2.905 18.005 -0.005 1.00 0.00 C ATOM 137 C TYR A 14 2.705 16.655 0.678 1.00 0.00 C ATOM 138 O TYR A 14 3.079 16.472 1.836 1.00 0.00 O ATOM 139 CB TYR A 14 4.383 18.203 -0.344 1.00 0.00 C ATOM 140 CG TYR A 14 4.612 18.917 -1.657 1.00 0.00 C ATOM 141 CD1 TYR A 14 4.642 20.305 -1.720 1.00 0.00 C ATOM 142 CD2 TYR A 14 4.801 18.204 -2.835 1.00 0.00 C ATOM 143 CE1 TYR A 14 4.850 20.961 -2.918 1.00 0.00 C ATOM 144 CE2 TYR A 14 5.011 18.852 -4.037 1.00 0.00 C ATOM 145 CZ TYR A 14 5.035 20.230 -4.073 1.00 0.00 C ATOM 146 OH TYR A 14 5.244 20.880 -5.268 1.00 0.00 O ATOM 0 H TYR A 14 3.159 19.735 1.152 1.00 0.00 H new ATOM 0 HA TYR A 14 2.323 18.016 -0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.858 18.770 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.873 17.230 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.500 20.881 -0.817 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.783 17.124 -2.810 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.868 22.040 -2.950 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.156 18.282 -4.943 1.00 0.00 H new ATOM 0 HH TYR A 14 5.357 20.220 -5.984 1.00 0.00 H new ATOM 156 N SER A 15 2.113 15.713 -0.049 1.00 0.00 N ATOM 157 CA SER A 15 1.860 14.381 0.486 1.00 0.00 C ATOM 158 C SER A 15 2.735 13.341 -0.208 1.00 0.00 C ATOM 159 O SER A 15 2.510 12.138 -0.078 1.00 0.00 O ATOM 160 CB SER A 15 0.384 14.014 0.320 1.00 0.00 C ATOM 161 OG SER A 15 0.084 13.701 -1.029 1.00 0.00 O ATOM 0 H SER A 15 1.800 15.848 -1.010 1.00 0.00 H new ATOM 0 HA SER A 15 2.108 14.390 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.144 13.162 0.956 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.240 14.844 0.651 1.00 0.00 H new ATOM 0 HG SER A 15 -0.865 13.468 -1.108 1.00 0.00 H new ATOM 167 N ARG A 16 3.733 13.815 -0.946 1.00 0.00 N ATOM 168 CA ARG A 16 4.642 12.928 -1.663 1.00 0.00 C ATOM 169 C ARG A 16 4.997 11.712 -0.812 1.00 0.00 C ATOM 170 O ARG A 16 5.348 10.654 -1.337 1.00 0.00 O ATOM 171 CB ARG A 16 5.916 13.678 -2.057 1.00 0.00 C ATOM 172 CG ARG A 16 6.802 14.036 -0.875 1.00 0.00 C ATOM 173 CD ARG A 16 7.974 14.905 -1.301 1.00 0.00 C ATOM 174 NE ARG A 16 9.112 14.108 -1.753 1.00 0.00 N ATOM 175 CZ ARG A 16 9.947 13.486 -0.928 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.773 13.570 0.384 1.00 0.00 N ATOM 177 NH2 ARG A 16 10.959 12.780 -1.415 1.00 0.00 N ATOM 0 H ARG A 16 3.933 14.808 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 16 4.138 12.584 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.486 13.066 -2.756 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.641 14.592 -2.584 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.213 14.561 -0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.174 13.124 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.658 15.572 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.281 15.534 -0.465 1.00 0.00 H new ATOM 0 HE ARG A 16 9.274 14.025 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.997 14.113 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.416 13.091 1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.096 12.714 -2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.600 12.303 -0.781 1.00 0.00 H new ATOM 191 N THR A 17 4.904 11.869 0.505 1.00 0.00 N ATOM 192 CA THR A 17 5.217 10.786 1.428 1.00 0.00 C ATOM 193 C THR A 17 3.977 10.343 2.197 1.00 0.00 C ATOM 194 O THR A 17 3.977 10.311 3.427 1.00 0.00 O ATOM 195 CB THR A 17 6.309 11.201 2.432 1.00 0.00 C ATOM 196 OG1 THR A 17 6.007 12.490 2.978 1.00 0.00 O ATOM 197 CG2 THR A 17 7.675 11.236 1.763 1.00 0.00 C ATOM 0 H THR A 17 4.614 12.737 0.956 1.00 0.00 H new ATOM 0 HA THR A 17 5.584 9.955 0.826 1.00 0.00 H new ATOM 0 HB THR A 17 6.334 10.463 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.705 12.746 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.430 11.532 2.492 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.915 10.247 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.661 11.955 0.944 1.00 0.00 H new ATOM 205 N ALA A 18 2.922 10.003 1.464 1.00 0.00 N ATOM 206 CA ALA A 18 1.677 9.559 2.077 1.00 0.00 C ATOM 207 C ALA A 18 1.566 8.039 2.058 1.00 0.00 C ATOM 208 O ALA A 18 1.347 7.408 3.093 1.00 0.00 O ATOM 209 CB ALA A 18 0.486 10.186 1.367 1.00 0.00 C ATOM 0 H ALA A 18 2.905 10.027 0.444 1.00 0.00 H new ATOM 0 HA ALA A 18 1.678 9.883 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.437 9.845 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.550 11.272 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.491 9.890 0.318 1.00 0.00 H new ATOM 215 N LEU A 19 1.718 7.454 0.874 1.00 0.00 N ATOM 216 CA LEU A 19 1.635 6.006 0.720 1.00 0.00 C ATOM 217 C LEU A 19 2.485 5.297 1.769 1.00 0.00 C ATOM 218 O LEU A 19 2.273 4.119 2.061 1.00 0.00 O ATOM 219 CB LEU A 19 2.088 5.596 -0.683 1.00 0.00 C ATOM 220 CG LEU A 19 1.663 6.522 -1.823 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.055 5.929 -3.167 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.165 6.781 -1.769 1.00 0.00 C ATOM 0 H LEU A 19 1.899 7.960 0.007 1.00 0.00 H new ATOM 0 HA LEU A 19 0.596 5.709 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.176 5.525 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.703 4.597 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 19 2.181 7.474 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.744 6.602 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.136 5.796 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.566 4.963 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.120 7.442 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.371 5.837 -1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.089 7.250 -0.819 1.00 0.00 H new ATOM 234 N TYR A 20 3.445 6.021 2.333 1.00 0.00 N ATOM 235 CA TYR A 20 4.327 5.460 3.350 1.00 0.00 C ATOM 236 C TYR A 20 3.674 5.517 4.728 1.00 0.00 C ATOM 237 O TYR A 20 3.469 4.488 5.373 1.00 0.00 O ATOM 238 CB TYR A 20 5.657 6.214 3.372 1.00 0.00 C ATOM 239 CG TYR A 20 6.370 6.225 2.039 1.00 0.00 C ATOM 240 CD1 TYR A 20 5.937 7.043 1.003 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.478 5.416 1.815 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.584 7.055 -0.217 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.133 5.423 0.599 1.00 0.00 C ATOM 244 CZ TYR A 20 7.682 6.243 -0.414 1.00 0.00 C ATOM 245 OH TYR A 20 8.331 6.253 -1.628 1.00 0.00 O ATOM 0 H TYR A 20 3.632 6.997 2.104 1.00 0.00 H new ATOM 0 HA TYR A 20 4.513 4.416 3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.477 7.242 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.309 5.762 4.119 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.079 7.681 1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.833 4.771 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.233 7.696 -1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.994 4.790 0.442 1.00 0.00 H new ATOM 0 HH TYR A 20 9.084 5.626 -1.602 1.00 0.00 H new ATOM 255 N ASP A 21 3.350 6.726 5.173 1.00 0.00 N ATOM 256 CA ASP A 21 2.719 6.918 6.473 1.00 0.00 C ATOM 257 C ASP A 21 1.564 5.940 6.667 1.00 0.00 C ATOM 258 O ASP A 21 1.356 5.418 7.763 1.00 0.00 O ATOM 259 CB ASP A 21 2.215 8.356 6.611 1.00 0.00 C ATOM 260 CG ASP A 21 1.094 8.481 7.624 1.00 0.00 C ATOM 261 OD1 ASP A 21 1.166 7.811 8.675 1.00 0.00 O ATOM 262 OD2 ASP A 21 0.143 9.249 7.365 1.00 0.00 O ATOM 0 H ASP A 21 3.514 7.588 4.652 1.00 0.00 H new ATOM 0 HA ASP A 21 3.466 6.727 7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.042 9.001 6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.866 8.710 5.641 1.00 0.00 H new ATOM 267 N LEU A 22 0.816 5.697 5.597 1.00 0.00 N ATOM 268 CA LEU A 22 -0.319 4.783 5.649 1.00 0.00 C ATOM 269 C LEU A 22 0.085 3.447 6.266 1.00 0.00 C ATOM 270 O LEU A 22 -0.652 2.874 7.069 1.00 0.00 O ATOM 271 CB LEU A 22 -0.884 4.558 4.245 1.00 0.00 C ATOM 272 CG LEU A 22 -1.936 5.564 3.776 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.274 6.742 3.078 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.942 4.892 2.853 1.00 0.00 C ATOM 0 H LEU A 22 0.975 6.120 4.683 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.088 5.235 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.056 4.571 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.322 3.560 4.207 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.468 5.938 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.038 7.447 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.593 7.239 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.716 6.385 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.683 5.623 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.425 4.489 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.440 4.082 3.386 1.00 0.00 H new ATOM 286 N LEU A 23 1.261 2.959 5.887 1.00 0.00 N ATOM 287 CA LEU A 23 1.765 1.691 6.405 1.00 0.00 C ATOM 288 C LEU A 23 2.604 1.911 7.659 1.00 0.00 C ATOM 289 O LEU A 23 2.625 1.073 8.560 1.00 0.00 O ATOM 290 CB LEU A 23 2.598 0.978 5.339 1.00 0.00 C ATOM 291 CG LEU A 23 1.834 0.028 4.415 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.740 0.775 3.668 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.786 -0.645 3.437 1.00 0.00 C ATOM 0 H LEU A 23 1.883 3.421 5.224 1.00 0.00 H new ATOM 0 HA LEU A 23 0.910 1.067 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.089 1.733 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.384 0.412 5.839 1.00 0.00 H new ATOM 0 HG LEU A 23 1.366 -0.744 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.207 0.083 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.042 1.209 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.186 1.569 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.225 -1.317 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.282 0.114 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.533 -1.214 3.990 1.00 0.00 H new ATOM 305 N GLY A 24 3.295 3.046 7.712 1.00 0.00 N ATOM 306 CA GLY A 24 4.125 3.357 8.861 1.00 0.00 C ATOM 307 C GLY A 24 5.588 3.040 8.622 1.00 0.00 C ATOM 308 O GLY A 24 6.337 2.783 9.565 1.00 0.00 O ATOM 0 H GLY A 24 3.295 3.756 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.021 4.414 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.771 2.794 9.724 1.00 0.00 H new ATOM 312 N VAL A 25 5.997 3.056 7.358 1.00 0.00 N ATOM 313 CA VAL A 25 7.380 2.767 6.998 1.00 0.00 C ATOM 314 C VAL A 25 8.078 4.010 6.458 1.00 0.00 C ATOM 315 O VAL A 25 7.454 4.904 5.887 1.00 0.00 O ATOM 316 CB VAL A 25 7.463 1.646 5.944 1.00 0.00 C ATOM 317 CG1 VAL A 25 6.835 0.367 6.475 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.793 2.082 4.650 1.00 0.00 C ATOM 0 H VAL A 25 5.390 3.266 6.566 1.00 0.00 H new ATOM 0 HA VAL A 25 7.882 2.438 7.908 1.00 0.00 H new ATOM 0 HB VAL A 25 8.513 1.446 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.903 -0.413 5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.364 0.048 7.373 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.788 0.549 6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.861 1.279 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.745 2.311 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.293 2.970 4.263 1.00 0.00 H new ATOM 328 N PRO A 26 9.406 4.069 6.642 1.00 0.00 N ATOM 329 CA PRO A 26 10.219 5.198 6.179 1.00 0.00 C ATOM 330 C PRO A 26 10.328 5.249 4.659 1.00 0.00 C ATOM 331 O PRO A 26 9.847 4.356 3.962 1.00 0.00 O ATOM 332 CB PRO A 26 11.589 4.928 6.805 1.00 0.00 C ATOM 333 CG PRO A 26 11.628 3.452 7.009 1.00 0.00 C ATOM 334 CD PRO A 26 10.215 3.039 7.314 1.00 0.00 C ATOM 0 HA PRO A 26 9.786 6.157 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.395 5.259 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.705 5.461 7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.999 2.945 6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.297 3.189 7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.996 2.042 6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.026 3.016 8.387 1.00 0.00 H new ATOM 342 N SER A 27 10.964 6.300 4.151 1.00 0.00 N ATOM 343 CA SER A 27 11.134 6.469 2.713 1.00 0.00 C ATOM 344 C SER A 27 12.138 5.461 2.162 1.00 0.00 C ATOM 345 O SER A 27 12.120 5.133 0.975 1.00 0.00 O ATOM 346 CB SER A 27 11.598 7.893 2.397 1.00 0.00 C ATOM 347 OG SER A 27 10.583 8.837 2.692 1.00 0.00 O ATOM 0 H SER A 27 11.370 7.047 4.714 1.00 0.00 H new ATOM 0 HA SER A 27 10.170 6.294 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.493 8.124 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.871 7.965 1.344 1.00 0.00 H new ATOM 0 HG SER A 27 10.904 9.739 2.483 1.00 0.00 H new ATOM 353 N THR A 28 13.014 4.972 3.033 1.00 0.00 N ATOM 354 CA THR A 28 14.027 4.002 2.636 1.00 0.00 C ATOM 355 C THR A 28 13.740 2.630 3.235 1.00 0.00 C ATOM 356 O THR A 28 14.643 1.809 3.391 1.00 0.00 O ATOM 357 CB THR A 28 15.436 4.452 3.066 1.00 0.00 C ATOM 358 OG1 THR A 28 15.552 4.402 4.492 1.00 0.00 O ATOM 359 CG2 THR A 28 15.725 5.864 2.578 1.00 0.00 C ATOM 0 H THR A 28 13.043 5.232 4.019 1.00 0.00 H new ATOM 0 HA THR A 28 13.991 3.936 1.549 1.00 0.00 H new ATOM 0 HB THR A 28 16.163 3.774 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.451 4.688 4.757 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.725 6.160 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.664 5.893 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.993 6.552 3.000 1.00 0.00 H new ATOM 367 N ALA A 29 12.476 2.388 3.569 1.00 0.00 N ATOM 368 CA ALA A 29 12.070 1.114 4.149 1.00 0.00 C ATOM 369 C ALA A 29 12.391 -0.044 3.209 1.00 0.00 C ATOM 370 O ALA A 29 12.732 0.164 2.045 1.00 0.00 O ATOM 371 CB ALA A 29 10.585 1.133 4.478 1.00 0.00 C ATOM 0 H ALA A 29 11.716 3.058 3.448 1.00 0.00 H new ATOM 0 HA ALA A 29 12.633 0.967 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.296 0.175 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.381 1.930 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.013 1.307 3.567 1.00 0.00 H new ATOM 377 N THR A 30 12.279 -1.265 3.723 1.00 0.00 N ATOM 378 CA THR A 30 12.559 -2.456 2.931 1.00 0.00 C ATOM 379 C THR A 30 11.312 -3.318 2.774 1.00 0.00 C ATOM 380 O THR A 30 10.384 -3.234 3.578 1.00 0.00 O ATOM 381 CB THR A 30 13.678 -3.303 3.566 1.00 0.00 C ATOM 382 OG1 THR A 30 14.004 -4.404 2.711 1.00 0.00 O ATOM 383 CG2 THR A 30 13.254 -3.823 4.931 1.00 0.00 C ATOM 0 H THR A 30 11.996 -1.455 4.684 1.00 0.00 H new ATOM 0 HA THR A 30 12.886 -2.113 1.949 1.00 0.00 H new ATOM 0 HB THR A 30 14.556 -2.669 3.692 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.717 -4.937 3.121 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.060 -4.418 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.034 -2.982 5.589 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.363 -4.442 4.824 1.00 0.00 H new ATOM 391 N GLN A 31 11.296 -4.145 1.734 1.00 0.00 N ATOM 392 CA GLN A 31 10.161 -5.022 1.472 1.00 0.00 C ATOM 393 C GLN A 31 9.635 -5.632 2.767 1.00 0.00 C ATOM 394 O GLN A 31 8.435 -5.600 3.037 1.00 0.00 O ATOM 395 CB GLN A 31 10.561 -6.131 0.497 1.00 0.00 C ATOM 396 CG GLN A 31 9.389 -6.708 -0.281 1.00 0.00 C ATOM 397 CD GLN A 31 8.629 -5.652 -1.059 1.00 0.00 C ATOM 398 OE1 GLN A 31 9.064 -5.217 -2.126 1.00 0.00 O ATOM 399 NE2 GLN A 31 7.486 -5.233 -0.528 1.00 0.00 N ATOM 0 H GLN A 31 12.056 -4.226 1.059 1.00 0.00 H new ATOM 0 HA GLN A 31 9.367 -4.424 1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.295 -5.738 -0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.048 -6.933 1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.755 -7.469 -0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.708 -7.205 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.163 -5.621 0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.931 -4.523 -1.007 1.00 0.00 H new ATOM 408 N ALA A 32 10.542 -6.187 3.565 1.00 0.00 N ATOM 409 CA ALA A 32 10.169 -6.803 4.832 1.00 0.00 C ATOM 410 C ALA A 32 9.233 -5.900 5.627 1.00 0.00 C ATOM 411 O ALA A 32 8.263 -6.368 6.224 1.00 0.00 O ATOM 412 CB ALA A 32 11.413 -7.127 5.648 1.00 0.00 C ATOM 0 H ALA A 32 11.540 -6.222 3.356 1.00 0.00 H new ATOM 0 HA ALA A 32 9.639 -7.730 4.615 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.120 -7.587 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.045 -7.817 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.966 -6.209 5.848 1.00 0.00 H new ATOM 418 N GLN A 33 9.530 -4.604 5.632 1.00 0.00 N ATOM 419 CA GLN A 33 8.715 -3.636 6.356 1.00 0.00 C ATOM 420 C GLN A 33 7.453 -3.293 5.571 1.00 0.00 C ATOM 421 O GLN A 33 6.337 -3.506 6.046 1.00 0.00 O ATOM 422 CB GLN A 33 9.520 -2.365 6.632 1.00 0.00 C ATOM 423 CG GLN A 33 10.731 -2.594 7.522 1.00 0.00 C ATOM 424 CD GLN A 33 11.464 -1.309 7.851 1.00 0.00 C ATOM 425 OE1 GLN A 33 12.763 -1.282 7.578 1.00 0.00 O flip ATOM 426 NE2 GLN A 33 10.870 -0.350 8.345 1.00 0.00 N flip ATOM 0 H GLN A 33 10.329 -4.201 5.143 1.00 0.00 H new ATOM 0 HA GLN A 33 8.420 -4.084 7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.851 -1.941 5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.869 -1.627 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.412 -3.073 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.416 -3.282 7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.871 -0.414 8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.377 0.508 8.560 1.00 0.00 H new ATOM 435 N ILE A 34 7.637 -2.760 4.368 1.00 0.00 N ATOM 436 CA ILE A 34 6.514 -2.387 3.517 1.00 0.00 C ATOM 437 C ILE A 34 5.443 -3.474 3.514 1.00 0.00 C ATOM 438 O ILE A 34 4.252 -3.187 3.397 1.00 0.00 O ATOM 439 CB ILE A 34 6.967 -2.124 2.069 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.001 -0.997 2.032 1.00 0.00 C ATOM 441 CG2 ILE A 34 5.770 -1.782 1.194 1.00 0.00 C ATOM 442 CD1 ILE A 34 8.652 -0.818 0.679 1.00 0.00 C ATOM 0 H ILE A 34 8.554 -2.577 3.960 1.00 0.00 H new ATOM 0 HA ILE A 34 6.096 -1.469 3.930 1.00 0.00 H new ATOM 0 HB ILE A 34 7.431 -3.030 1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.519 -0.063 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.774 -1.199 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.106 -1.599 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.065 -2.614 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.280 -0.888 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.373 -0.002 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.163 -1.738 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.889 -0.584 -0.064 1.00 0.00 H new ATOM 454 N LYS A 35 5.876 -4.723 3.644 1.00 0.00 N ATOM 455 CA LYS A 35 4.956 -5.854 3.659 1.00 0.00 C ATOM 456 C LYS A 35 4.351 -6.045 5.047 1.00 0.00 C ATOM 457 O LYS A 35 3.131 -6.093 5.200 1.00 0.00 O ATOM 458 CB LYS A 35 5.679 -7.132 3.227 1.00 0.00 C ATOM 459 CG LYS A 35 4.748 -8.310 2.998 1.00 0.00 C ATOM 460 CD LYS A 35 5.441 -9.632 3.282 1.00 0.00 C ATOM 461 CE LYS A 35 4.470 -10.799 3.200 1.00 0.00 C ATOM 462 NZ LYS A 35 5.164 -12.077 2.877 1.00 0.00 N ATOM 0 H LYS A 35 6.859 -4.978 3.741 1.00 0.00 H new ATOM 0 HA LYS A 35 4.150 -5.644 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.233 -6.934 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.411 -7.401 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.872 -8.212 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.392 -8.299 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.251 -9.780 2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.892 -9.602 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.944 -10.901 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.717 -10.592 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.468 -12.848 2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.645 -11.989 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.865 -12.288 3.616 1.00 0.00 H new ATOM 476 N ALA A 36 5.212 -6.151 6.053 1.00 0.00 N ATOM 477 CA ALA A 36 4.761 -6.333 7.428 1.00 0.00 C ATOM 478 C ALA A 36 3.697 -5.305 7.797 1.00 0.00 C ATOM 479 O ALA A 36 2.696 -5.635 8.431 1.00 0.00 O ATOM 480 CB ALA A 36 5.940 -6.242 8.386 1.00 0.00 C ATOM 0 H ALA A 36 6.225 -6.114 5.943 1.00 0.00 H new ATOM 0 HA ALA A 36 4.315 -7.324 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.589 -6.380 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.666 -7.018 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.410 -5.263 8.292 1.00 0.00 H new ATOM 486 N ALA A 37 3.920 -4.058 7.395 1.00 0.00 N ATOM 487 CA ALA A 37 2.980 -2.982 7.683 1.00 0.00 C ATOM 488 C ALA A 37 1.620 -3.259 7.051 1.00 0.00 C ATOM 489 O ALA A 37 0.612 -3.374 7.749 1.00 0.00 O ATOM 490 CB ALA A 37 3.531 -1.653 7.191 1.00 0.00 C ATOM 0 H ALA A 37 4.744 -3.768 6.869 1.00 0.00 H new ATOM 0 HA ALA A 37 2.847 -2.929 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.818 -0.859 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.476 -1.443 7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.695 -1.703 6.115 1.00 0.00 H new ATOM 496 N TYR A 38 1.598 -3.365 5.727 1.00 0.00 N ATOM 497 CA TYR A 38 0.361 -3.625 5.001 1.00 0.00 C ATOM 498 C TYR A 38 -0.433 -4.748 5.662 1.00 0.00 C ATOM 499 O TYR A 38 -1.617 -4.594 5.961 1.00 0.00 O ATOM 500 CB TYR A 38 0.665 -3.988 3.547 1.00 0.00 C ATOM 501 CG TYR A 38 -0.539 -4.494 2.784 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.539 -3.623 2.370 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.677 -5.842 2.480 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.641 -4.080 1.673 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.775 -6.308 1.783 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.754 -5.424 1.382 1.00 0.00 C ATOM 507 OH TYR A 38 -3.850 -5.884 0.688 1.00 0.00 O ATOM 0 H TYR A 38 2.423 -3.275 5.135 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.241 -2.717 5.023 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.064 -3.111 3.038 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.444 -4.750 3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.454 -2.571 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.087 -6.538 2.794 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.409 -3.389 1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.866 -7.359 1.553 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.776 -6.853 0.564 1.00 0.00 H new ATOM 517 N TYR A 39 0.229 -5.878 5.887 1.00 0.00 N ATOM 518 CA TYR A 39 -0.413 -7.028 6.511 1.00 0.00 C ATOM 519 C TYR A 39 -1.053 -6.641 7.840 1.00 0.00 C ATOM 520 O TYR A 39 -2.208 -6.975 8.107 1.00 0.00 O ATOM 521 CB TYR A 39 0.603 -8.150 6.729 1.00 0.00 C ATOM 522 CG TYR A 39 0.712 -9.105 5.562 1.00 0.00 C ATOM 523 CD1 TYR A 39 1.303 -8.710 4.368 1.00 0.00 C ATOM 524 CD2 TYR A 39 0.223 -10.402 5.653 1.00 0.00 C ATOM 525 CE1 TYR A 39 1.404 -9.579 3.299 1.00 0.00 C ATOM 526 CE2 TYR A 39 0.320 -11.278 4.589 1.00 0.00 C ATOM 527 CZ TYR A 39 0.911 -10.862 3.414 1.00 0.00 C ATOM 528 OH TYR A 39 1.010 -11.731 2.352 1.00 0.00 O ATOM 0 H TYR A 39 1.210 -6.022 5.646 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.197 -7.382 5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.582 -7.710 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.326 -8.711 7.622 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.690 -7.706 4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.241 -10.731 6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.866 -9.256 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.065 -12.283 4.677 1.00 0.00 H new ATOM 0 HH TYR A 39 0.616 -12.594 2.598 1.00 0.00 H new ATOM 538 N ARG A 40 -0.294 -5.933 8.671 1.00 0.00 N ATOM 539 CA ARG A 40 -0.785 -5.500 9.973 1.00 0.00 C ATOM 540 C ARG A 40 -2.132 -4.795 9.840 1.00 0.00 C ATOM 541 O ARG A 40 -3.066 -5.075 10.590 1.00 0.00 O ATOM 542 CB ARG A 40 0.227 -4.566 10.639 1.00 0.00 C ATOM 543 CG ARG A 40 1.325 -5.297 11.395 1.00 0.00 C ATOM 544 CD ARG A 40 2.189 -4.334 12.193 1.00 0.00 C ATOM 545 NE ARG A 40 1.662 -4.110 13.537 1.00 0.00 N ATOM 546 CZ ARG A 40 2.170 -3.226 14.388 1.00 0.00 C ATOM 547 NH1 ARG A 40 3.213 -2.486 14.036 1.00 0.00 N ATOM 548 NH2 ARG A 40 1.635 -3.080 15.593 1.00 0.00 N ATOM 0 H ARG A 40 0.663 -5.647 8.465 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.917 -6.385 10.595 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.682 -3.934 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.299 -3.906 11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.879 -6.030 12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.948 -5.848 10.691 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.203 -4.729 12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.253 -3.382 11.666 1.00 0.00 H new ATOM 0 HE ARG A 40 0.860 -4.663 13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.627 -2.595 13.110 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.601 -1.808 14.691 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.833 -3.647 15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.026 -2.401 16.246 1.00 0.00 H new ATOM 562 N GLN A 41 -2.222 -3.880 8.880 1.00 0.00 N ATOM 563 CA GLN A 41 -3.454 -3.135 8.649 1.00 0.00 C ATOM 564 C GLN A 41 -4.668 -4.056 8.714 1.00 0.00 C ATOM 565 O GLN A 41 -5.525 -3.909 9.586 1.00 0.00 O ATOM 566 CB GLN A 41 -3.403 -2.433 7.291 1.00 0.00 C ATOM 567 CG GLN A 41 -2.205 -1.512 7.126 1.00 0.00 C ATOM 568 CD GLN A 41 -1.965 -0.643 8.345 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.858 0.075 8.796 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.754 -0.703 8.886 1.00 0.00 N ATOM 0 H GLN A 41 -1.457 -3.637 8.250 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.548 -2.385 9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.383 -3.186 6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.317 -1.854 7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.315 -2.111 6.930 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.358 -0.875 6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.044 -1.312 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.534 -0.140 9.708 1.00 0.00 H new ATOM 579 N CYS A 42 -4.735 -5.004 7.786 1.00 0.00 N ATOM 580 CA CYS A 42 -5.845 -5.948 7.737 1.00 0.00 C ATOM 581 C CYS A 42 -6.248 -6.387 9.141 1.00 0.00 C ATOM 582 O CYS A 42 -7.431 -6.403 9.482 1.00 0.00 O ATOM 583 CB CYS A 42 -5.467 -7.169 6.897 1.00 0.00 C ATOM 584 SG CYS A 42 -6.882 -8.054 6.201 1.00 0.00 S ATOM 0 H CYS A 42 -4.034 -5.139 7.058 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.695 -5.447 7.274 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.816 -6.849 6.083 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.890 -7.857 7.515 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.460 -9.068 5.506 1.00 0.00 H new ATOM 590 N PHE A 43 -5.257 -6.745 9.951 1.00 0.00 N ATOM 591 CA PHE A 43 -5.508 -7.187 11.317 1.00 0.00 C ATOM 592 C PHE A 43 -6.040 -6.040 12.171 1.00 0.00 C ATOM 593 O PHE A 43 -6.996 -6.207 12.930 1.00 0.00 O ATOM 594 CB PHE A 43 -4.226 -7.747 11.938 1.00 0.00 C ATOM 595 CG PHE A 43 -4.269 -7.820 13.438 1.00 0.00 C ATOM 596 CD1 PHE A 43 -4.925 -8.861 14.075 1.00 0.00 C ATOM 597 CD2 PHE A 43 -3.653 -6.849 14.210 1.00 0.00 C ATOM 598 CE1 PHE A 43 -4.967 -8.930 15.455 1.00 0.00 C ATOM 599 CE2 PHE A 43 -3.690 -6.913 15.590 1.00 0.00 C ATOM 600 CZ PHE A 43 -4.347 -7.956 16.213 1.00 0.00 C ATOM 0 H PHE A 43 -4.272 -6.737 9.684 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.262 -7.973 11.285 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.044 -8.745 11.539 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.384 -7.124 11.636 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.409 -9.627 13.487 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.137 -6.032 13.728 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.484 -9.745 15.940 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.206 -6.149 16.180 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.376 -8.010 17.291 1.00 0.00 H new ATOM 610 N LEU A 44 -5.416 -4.874 12.042 1.00 0.00 N ATOM 611 CA LEU A 44 -5.825 -3.698 12.801 1.00 0.00 C ATOM 612 C LEU A 44 -7.289 -3.361 12.536 1.00 0.00 C ATOM 613 O LEU A 44 -8.014 -2.944 13.439 1.00 0.00 O ATOM 614 CB LEU A 44 -4.942 -2.502 12.442 1.00 0.00 C ATOM 615 CG LEU A 44 -3.531 -2.509 13.032 1.00 0.00 C ATOM 616 CD1 LEU A 44 -2.606 -1.621 12.214 1.00 0.00 C ATOM 617 CD2 LEU A 44 -3.558 -2.058 14.485 1.00 0.00 C ATOM 0 H LEU A 44 -4.624 -4.718 11.418 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.709 -3.922 13.861 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.860 -2.449 11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.446 -1.592 12.768 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.148 -3.529 12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.607 -1.638 12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.562 -1.988 11.189 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.985 -0.599 12.218 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.545 -2.069 14.888 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.961 -1.047 14.545 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.187 -2.734 15.064 1.00 0.00 H new ATOM 629 N TYR A 45 -7.717 -3.547 11.292 1.00 0.00 N ATOM 630 CA TYR A 45 -9.095 -3.263 10.907 1.00 0.00 C ATOM 631 C TYR A 45 -9.752 -4.492 10.288 1.00 0.00 C ATOM 632 O TYR A 45 -9.878 -4.595 9.067 1.00 0.00 O ATOM 633 CB TYR A 45 -9.140 -2.095 9.921 1.00 0.00 C ATOM 634 CG TYR A 45 -8.386 -0.873 10.394 1.00 0.00 C ATOM 635 CD1 TYR A 45 -6.998 -0.825 10.343 1.00 0.00 C ATOM 636 CD2 TYR A 45 -9.061 0.236 10.891 1.00 0.00 C ATOM 637 CE1 TYR A 45 -6.305 0.289 10.775 1.00 0.00 C ATOM 638 CE2 TYR A 45 -8.376 1.355 11.323 1.00 0.00 C ATOM 639 CZ TYR A 45 -6.998 1.376 11.264 1.00 0.00 C ATOM 640 OH TYR A 45 -6.311 2.488 11.694 1.00 0.00 O ATOM 0 H TYR A 45 -7.130 -3.893 10.533 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.649 -2.992 11.806 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.726 -2.420 8.967 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.180 -1.823 9.741 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.452 -1.674 9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.140 0.222 10.940 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.226 0.308 10.730 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.916 2.209 11.705 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.947 3.165 12.007 1.00 0.00 H new ATOM 650 N HIS A 46 -10.171 -5.423 11.139 1.00 0.00 N ATOM 651 CA HIS A 46 -10.817 -6.646 10.677 1.00 0.00 C ATOM 652 C HIS A 46 -12.273 -6.384 10.303 1.00 0.00 C ATOM 653 O HIS A 46 -12.906 -5.448 10.793 1.00 0.00 O ATOM 654 CB HIS A 46 -10.743 -7.727 11.757 1.00 0.00 C ATOM 655 CG HIS A 46 -9.523 -8.590 11.657 1.00 0.00 C ATOM 656 ND1 HIS A 46 -9.161 -9.251 10.503 1.00 0.00 N ATOM 657 CD2 HIS A 46 -8.578 -8.897 12.577 1.00 0.00 C ATOM 658 CE1 HIS A 46 -8.048 -9.930 10.717 1.00 0.00 C ATOM 659 NE2 HIS A 46 -7.673 -9.731 11.968 1.00 0.00 N ATOM 0 H HIS A 46 -10.075 -5.354 12.152 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.289 -6.993 9.789 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -10.762 -7.251 12.738 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -11.630 -8.357 11.691 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.543 -8.550 13.599 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.533 -10.543 9.993 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.846 -10.132 12.410 1.00 0.00 H new ATOM 667 N PRO A 47 -12.817 -7.227 9.413 1.00 0.00 N ATOM 668 CA PRO A 47 -14.204 -7.106 8.954 1.00 0.00 C ATOM 669 C PRO A 47 -15.209 -7.454 10.046 1.00 0.00 C ATOM 670 O PRO A 47 -16.222 -6.774 10.211 1.00 0.00 O ATOM 671 CB PRO A 47 -14.287 -8.117 7.808 1.00 0.00 C ATOM 672 CG PRO A 47 -13.230 -9.121 8.111 1.00 0.00 C ATOM 673 CD PRO A 47 -12.121 -8.364 8.788 1.00 0.00 C ATOM 0 HA PRO A 47 -14.448 -6.085 8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -15.272 -8.581 7.760 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -14.113 -7.638 6.844 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.615 -9.910 8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.875 -9.601 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.609 -8.978 9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.368 -8.031 8.074 1.00 0.00 H new ATOM 681 N ASP A 48 -14.923 -8.517 10.789 1.00 0.00 N ATOM 682 CA ASP A 48 -15.802 -8.955 11.868 1.00 0.00 C ATOM 683 C ASP A 48 -16.126 -7.799 12.808 1.00 0.00 C ATOM 684 O ASP A 48 -17.268 -7.346 12.882 1.00 0.00 O ATOM 685 CB ASP A 48 -15.154 -10.099 12.650 1.00 0.00 C ATOM 686 CG ASP A 48 -14.986 -11.351 11.812 1.00 0.00 C ATOM 687 OD1 ASP A 48 -16.009 -11.994 11.495 1.00 0.00 O ATOM 688 OD2 ASP A 48 -13.832 -11.689 11.473 1.00 0.00 O ATOM 0 H ASP A 48 -14.090 -9.092 10.664 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.732 -9.310 11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.179 -9.778 13.017 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.764 -10.329 13.524 1.00 0.00 H new ATOM 693 N ARG A 49 -15.113 -7.325 13.527 1.00 0.00 N ATOM 694 CA ARG A 49 -15.290 -6.223 14.464 1.00 0.00 C ATOM 695 C ARG A 49 -16.045 -5.070 13.811 1.00 0.00 C ATOM 696 O ARG A 49 -16.903 -4.444 14.433 1.00 0.00 O ATOM 697 CB ARG A 49 -13.933 -5.735 14.973 1.00 0.00 C ATOM 698 CG ARG A 49 -12.840 -5.763 13.917 1.00 0.00 C ATOM 699 CD ARG A 49 -11.664 -4.882 14.308 1.00 0.00 C ATOM 700 NE ARG A 49 -10.664 -5.613 15.081 1.00 0.00 N ATOM 701 CZ ARG A 49 -9.748 -5.025 15.842 1.00 0.00 C ATOM 702 NH1 ARG A 49 -9.706 -3.703 15.931 1.00 0.00 N ATOM 703 NH2 ARG A 49 -8.872 -5.759 16.515 1.00 0.00 N ATOM 0 H ARG A 49 -14.161 -7.688 13.478 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.877 -6.587 15.307 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.039 -4.717 15.346 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.627 -6.354 15.817 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.497 -6.788 13.774 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.246 -5.427 12.963 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.201 -4.476 13.409 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.024 -4.035 14.891 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.669 -6.632 15.034 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.378 -3.135 15.414 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.002 -3.253 16.516 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.901 -6.776 16.448 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.169 -5.306 17.099 1.00 0.00 H new ATOM 717 N ASN A 50 -15.720 -4.794 12.552 1.00 0.00 N ATOM 718 CA ASN A 50 -16.366 -3.714 11.815 1.00 0.00 C ATOM 719 C ASN A 50 -16.980 -4.234 10.518 1.00 0.00 C ATOM 720 O ASN A 50 -16.284 -4.421 9.521 1.00 0.00 O ATOM 721 CB ASN A 50 -15.360 -2.604 11.506 1.00 0.00 C ATOM 722 CG ASN A 50 -14.484 -2.271 12.699 1.00 0.00 C ATOM 723 OD1 ASN A 50 -13.378 -2.993 12.840 1.00 0.00 O flip ATOM 724 ND2 ASN A 50 -14.797 -1.375 13.483 1.00 0.00 N flip ATOM 0 H ASN A 50 -15.013 -5.303 12.021 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.163 -3.308 12.438 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.731 -2.910 10.670 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.896 -1.709 11.191 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.656 -0.846 13.336 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.197 -1.162 14.280 1.00 0.00 H new ATOM 731 N SER A 51 -18.289 -4.463 10.540 1.00 0.00 N ATOM 732 CA SER A 51 -18.998 -4.964 9.368 1.00 0.00 C ATOM 733 C SER A 51 -19.398 -3.817 8.444 1.00 0.00 C ATOM 734 O SER A 51 -20.030 -2.853 8.872 1.00 0.00 O ATOM 735 CB SER A 51 -20.240 -5.749 9.792 1.00 0.00 C ATOM 736 OG SER A 51 -21.066 -4.975 10.644 1.00 0.00 O ATOM 0 H SER A 51 -18.880 -4.310 11.357 1.00 0.00 H new ATOM 0 HA SER A 51 -18.326 -5.629 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 51 -20.803 -6.049 8.909 1.00 0.00 H new ATOM 0 HB3 SER A 51 -19.939 -6.663 10.304 1.00 0.00 H new ATOM 0 HG SER A 51 -21.046 -4.038 10.357 1.00 0.00 H new ATOM 742 N GLY A 52 -19.024 -3.931 7.173 1.00 0.00 N ATOM 743 CA GLY A 52 -19.352 -2.897 6.208 1.00 0.00 C ATOM 744 C GLY A 52 -19.286 -1.505 6.805 1.00 0.00 C ATOM 745 O GLY A 52 -20.258 -0.753 6.752 1.00 0.00 O ATOM 0 H GLY A 52 -18.500 -4.720 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.665 -2.960 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -20.354 -3.074 5.817 1.00 0.00 H new ATOM 749 N SER A 53 -18.135 -1.162 7.375 1.00 0.00 N ATOM 750 CA SER A 53 -17.947 0.148 7.989 1.00 0.00 C ATOM 751 C SER A 53 -18.061 1.257 6.948 1.00 0.00 C ATOM 752 O SER A 53 -18.106 0.994 5.746 1.00 0.00 O ATOM 753 CB SER A 53 -16.585 0.219 8.680 1.00 0.00 C ATOM 754 OG SER A 53 -15.534 0.278 7.732 1.00 0.00 O ATOM 0 H SER A 53 -17.319 -1.772 7.425 1.00 0.00 H new ATOM 0 HA SER A 53 -18.731 0.290 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.547 1.097 9.325 1.00 0.00 H new ATOM 0 HB3 SER A 53 -16.453 -0.653 9.320 1.00 0.00 H new ATOM 0 HG SER A 53 -15.033 -0.564 7.747 1.00 0.00 H new ATOM 760 N ALA A 54 -18.106 2.499 7.418 1.00 0.00 N ATOM 761 CA ALA A 54 -18.213 3.649 6.530 1.00 0.00 C ATOM 762 C ALA A 54 -16.937 4.485 6.558 1.00 0.00 C ATOM 763 O ALA A 54 -16.561 5.094 5.557 1.00 0.00 O ATOM 764 CB ALA A 54 -19.413 4.502 6.911 1.00 0.00 C ATOM 0 H ALA A 54 -18.070 2.734 8.410 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.353 3.280 5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -19.480 5.357 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -20.323 3.907 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.298 4.854 7.936 1.00 0.00 H new ATOM 770 N GLU A 55 -16.277 4.510 7.712 1.00 0.00 N ATOM 771 CA GLU A 55 -15.045 5.273 7.870 1.00 0.00 C ATOM 772 C GLU A 55 -13.826 4.409 7.559 1.00 0.00 C ATOM 773 O GLU A 55 -12.992 4.770 6.730 1.00 0.00 O ATOM 774 CB GLU A 55 -14.941 5.827 9.293 1.00 0.00 C ATOM 775 CG GLU A 55 -15.954 6.917 9.597 1.00 0.00 C ATOM 776 CD GLU A 55 -17.261 6.365 10.133 1.00 0.00 C ATOM 777 OE1 GLU A 55 -17.218 5.413 10.939 1.00 0.00 O ATOM 778 OE2 GLU A 55 -18.328 6.887 9.746 1.00 0.00 O ATOM 0 H GLU A 55 -16.575 4.011 8.550 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.070 6.104 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.075 5.010 10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.937 6.222 9.447 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.530 7.609 10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.150 7.489 8.690 1.00 0.00 H new ATOM 785 N ALA A 56 -13.732 3.265 8.230 1.00 0.00 N ATOM 786 CA ALA A 56 -12.617 2.349 8.024 1.00 0.00 C ATOM 787 C ALA A 56 -12.560 1.870 6.577 1.00 0.00 C ATOM 788 O ALA A 56 -11.482 1.637 6.033 1.00 0.00 O ATOM 789 CB ALA A 56 -12.727 1.163 8.971 1.00 0.00 C ATOM 0 H ALA A 56 -14.414 2.951 8.920 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.693 2.886 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.888 0.487 8.806 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.711 1.518 10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.661 0.634 8.784 1.00 0.00 H new ATOM 795 N ALA A 57 -13.728 1.724 5.961 1.00 0.00 N ATOM 796 CA ALA A 57 -13.811 1.273 4.577 1.00 0.00 C ATOM 797 C ALA A 57 -12.872 2.075 3.682 1.00 0.00 C ATOM 798 O ALA A 57 -11.976 1.517 3.050 1.00 0.00 O ATOM 799 CB ALA A 57 -15.242 1.379 4.072 1.00 0.00 C ATOM 0 H ALA A 57 -14.630 1.911 6.398 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.502 0.228 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.289 1.039 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.892 0.758 4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.572 2.416 4.128 1.00 0.00 H new ATOM 805 N GLU A 58 -13.084 3.386 3.633 1.00 0.00 N ATOM 806 CA GLU A 58 -12.257 4.264 2.814 1.00 0.00 C ATOM 807 C GLU A 58 -10.779 3.910 2.959 1.00 0.00 C ATOM 808 O GLU A 58 -10.120 3.542 1.987 1.00 0.00 O ATOM 809 CB GLU A 58 -12.483 5.726 3.203 1.00 0.00 C ATOM 810 CG GLU A 58 -13.813 6.284 2.725 1.00 0.00 C ATOM 811 CD GLU A 58 -13.770 6.734 1.277 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.887 5.869 0.384 1.00 0.00 O ATOM 813 OE2 GLU A 58 -13.620 7.950 1.037 1.00 0.00 O ATOM 0 H GLU A 58 -13.822 3.864 4.151 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.546 4.125 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.429 5.817 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.675 6.332 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.585 5.524 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.097 7.127 3.355 1.00 0.00 H new ATOM 820 N ARG A 59 -10.267 4.026 4.180 1.00 0.00 N ATOM 821 CA ARG A 59 -8.868 3.720 4.453 1.00 0.00 C ATOM 822 C ARG A 59 -8.463 2.399 3.805 1.00 0.00 C ATOM 823 O ARG A 59 -7.529 2.349 3.004 1.00 0.00 O ATOM 824 CB ARG A 59 -8.622 3.657 5.961 1.00 0.00 C ATOM 825 CG ARG A 59 -7.175 3.902 6.354 1.00 0.00 C ATOM 826 CD ARG A 59 -6.978 3.788 7.858 1.00 0.00 C ATOM 827 NE ARG A 59 -7.584 4.906 8.575 1.00 0.00 N ATOM 828 CZ ARG A 59 -7.089 6.139 8.569 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.986 6.410 7.886 1.00 0.00 N ATOM 830 NH2 ARG A 59 -7.698 7.103 9.247 1.00 0.00 N ATOM 0 H ARG A 59 -10.800 4.329 4.995 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.259 4.516 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.253 4.396 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.929 2.678 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.532 3.183 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.869 4.894 6.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.413 2.853 8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.912 3.749 8.082 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.434 4.731 9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.515 5.671 7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.608 7.357 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.547 6.898 9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.317 8.049 9.242 1.00 0.00 H new ATOM 844 N PHE A 60 -9.172 1.332 4.157 1.00 0.00 N ATOM 845 CA PHE A 60 -8.886 0.010 3.611 1.00 0.00 C ATOM 846 C PHE A 60 -8.577 0.093 2.119 1.00 0.00 C ATOM 847 O PHE A 60 -7.680 -0.587 1.620 1.00 0.00 O ATOM 848 CB PHE A 60 -10.070 -0.930 3.847 1.00 0.00 C ATOM 849 CG PHE A 60 -9.688 -2.382 3.864 1.00 0.00 C ATOM 850 CD1 PHE A 60 -8.706 -2.844 4.725 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.312 -3.285 3.018 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.353 -4.180 4.743 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.963 -4.623 3.032 1.00 0.00 C ATOM 854 CZ PHE A 60 -8.982 -5.071 3.895 1.00 0.00 C ATOM 0 H PHE A 60 -9.949 1.356 4.818 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.009 -0.386 4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.542 -0.676 4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.814 -0.767 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.211 -2.152 5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.079 -2.940 2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.586 -4.527 5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.457 -5.317 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.707 -6.115 3.907 1.00 0.00 H new ATOM 864 N THR A 61 -9.327 0.932 1.411 1.00 0.00 N ATOM 865 CA THR A 61 -9.136 1.103 -0.023 1.00 0.00 C ATOM 866 C THR A 61 -7.797 1.765 -0.324 1.00 0.00 C ATOM 867 O THR A 61 -7.052 1.313 -1.194 1.00 0.00 O ATOM 868 CB THR A 61 -10.265 1.949 -0.643 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.526 1.300 -0.449 1.00 0.00 O ATOM 870 CG2 THR A 61 -10.024 2.167 -2.129 1.00 0.00 C ATOM 0 H THR A 61 -10.073 1.504 1.808 1.00 0.00 H new ATOM 0 HA THR A 61 -9.153 0.107 -0.465 1.00 0.00 H new ATOM 0 HB THR A 61 -10.276 2.920 -0.147 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.238 1.845 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.834 2.767 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.077 2.687 -2.271 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.988 1.203 -2.637 1.00 0.00 H new ATOM 878 N ARG A 62 -7.496 2.838 0.400 1.00 0.00 N ATOM 879 CA ARG A 62 -6.245 3.562 0.209 1.00 0.00 C ATOM 880 C ARG A 62 -5.050 2.691 0.586 1.00 0.00 C ATOM 881 O ARG A 62 -4.126 2.511 -0.209 1.00 0.00 O ATOM 882 CB ARG A 62 -6.240 4.843 1.046 1.00 0.00 C ATOM 883 CG ARG A 62 -7.138 5.936 0.491 1.00 0.00 C ATOM 884 CD ARG A 62 -6.947 7.247 1.239 1.00 0.00 C ATOM 885 NE ARG A 62 -7.666 7.262 2.510 1.00 0.00 N ATOM 886 CZ ARG A 62 -8.959 7.547 2.619 1.00 0.00 C ATOM 887 NH1 ARG A 62 -9.671 7.840 1.540 1.00 0.00 N ATOM 888 NH2 ARG A 62 -9.543 7.540 3.811 1.00 0.00 N ATOM 0 H ARG A 62 -8.101 3.225 1.124 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.163 3.824 -0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.557 4.605 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.220 5.221 1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.921 6.084 -0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.180 5.624 0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.885 7.409 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.293 8.073 0.617 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.147 7.042 3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.226 7.847 0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.664 8.058 1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.999 7.316 4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.536 7.759 3.894 1.00 0.00 H new ATOM 902 N ILE A 63 -5.074 2.156 1.801 1.00 0.00 N ATOM 903 CA ILE A 63 -3.993 1.304 2.282 1.00 0.00 C ATOM 904 C ILE A 63 -3.454 0.417 1.165 1.00 0.00 C ATOM 905 O ILE A 63 -2.251 0.388 0.907 1.00 0.00 O ATOM 906 CB ILE A 63 -4.455 0.415 3.452 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.926 1.279 4.623 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.330 -0.511 3.889 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.579 0.487 5.734 1.00 0.00 C ATOM 0 H ILE A 63 -5.830 2.297 2.471 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.200 1.966 2.631 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.293 -0.196 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.073 1.823 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.632 2.023 4.254 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.671 -1.133 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.037 -1.147 3.054 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.474 0.083 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.888 1.164 6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.452 -0.036 5.343 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.868 -0.239 6.130 1.00 0.00 H new ATOM 921 N SER A 64 -4.354 -0.306 0.505 1.00 0.00 N ATOM 922 CA SER A 64 -3.969 -1.196 -0.584 1.00 0.00 C ATOM 923 C SER A 64 -3.063 -0.478 -1.579 1.00 0.00 C ATOM 924 O SER A 64 -1.987 -0.968 -1.921 1.00 0.00 O ATOM 925 CB SER A 64 -5.212 -1.727 -1.300 1.00 0.00 C ATOM 926 OG SER A 64 -4.975 -3.013 -1.848 1.00 0.00 O ATOM 0 H SER A 64 -5.354 -0.293 0.706 1.00 0.00 H new ATOM 0 HA SER A 64 -3.418 -2.034 -0.157 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.046 -1.775 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.501 -1.038 -2.093 1.00 0.00 H new ATOM 0 HG SER A 64 -5.785 -3.331 -2.299 1.00 0.00 H new ATOM 932 N GLN A 65 -3.506 0.688 -2.039 1.00 0.00 N ATOM 933 CA GLN A 65 -2.736 1.474 -2.996 1.00 0.00 C ATOM 934 C GLN A 65 -1.266 1.531 -2.595 1.00 0.00 C ATOM 935 O GLN A 65 -0.383 1.205 -3.388 1.00 0.00 O ATOM 936 CB GLN A 65 -3.304 2.891 -3.098 1.00 0.00 C ATOM 937 CG GLN A 65 -4.792 2.929 -3.407 1.00 0.00 C ATOM 938 CD GLN A 65 -5.196 4.168 -4.181 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.351 4.983 -4.555 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.492 4.318 -4.426 1.00 0.00 N ATOM 0 H GLN A 65 -4.394 1.109 -1.765 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.810 0.989 -3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.123 3.415 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.766 3.434 -3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.063 2.043 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.354 2.889 -2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.157 3.618 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.822 5.133 -4.943 1.00 0.00 H new ATOM 949 N ALA A 66 -1.010 1.947 -1.359 1.00 0.00 N ATOM 950 CA ALA A 66 0.353 2.045 -0.853 1.00 0.00 C ATOM 951 C ALA A 66 1.135 0.765 -1.130 1.00 0.00 C ATOM 952 O ALA A 66 2.356 0.795 -1.292 1.00 0.00 O ATOM 953 CB ALA A 66 0.342 2.345 0.639 1.00 0.00 C ATOM 0 H ALA A 66 -1.729 2.222 -0.690 1.00 0.00 H new ATOM 0 HA ALA A 66 0.849 2.864 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.367 2.415 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.172 3.290 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.177 1.545 1.167 1.00 0.00 H new ATOM 959 N TYR A 67 0.425 -0.356 -1.185 1.00 0.00 N ATOM 960 CA TYR A 67 1.054 -1.647 -1.440 1.00 0.00 C ATOM 961 C TYR A 67 1.110 -1.939 -2.936 1.00 0.00 C ATOM 962 O TYR A 67 1.179 -3.096 -3.353 1.00 0.00 O ATOM 963 CB TYR A 67 0.291 -2.760 -0.720 1.00 0.00 C ATOM 964 CG TYR A 67 1.116 -4.006 -0.486 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.415 -3.921 0.001 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.598 -5.267 -0.751 1.00 0.00 C ATOM 967 CE1 TYR A 67 3.173 -5.056 0.216 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.348 -6.407 -0.538 1.00 0.00 C ATOM 969 CZ TYR A 67 2.635 -6.296 -0.055 1.00 0.00 C ATOM 970 OH TYR A 67 3.385 -7.430 0.158 1.00 0.00 O ATOM 0 H TYR A 67 -0.586 -0.397 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 67 2.074 -1.608 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.064 -2.384 0.239 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.590 -3.022 -1.305 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.839 -2.951 0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.409 -5.358 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.181 -4.972 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.929 -7.380 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 67 2.858 -8.221 -0.082 1.00 0.00 H new ATOM 980 N VAL A 68 1.079 -0.881 -3.741 1.00 0.00 N ATOM 981 CA VAL A 68 1.128 -1.022 -5.191 1.00 0.00 C ATOM 982 C VAL A 68 2.291 -0.234 -5.781 1.00 0.00 C ATOM 983 O VAL A 68 3.147 -0.790 -6.469 1.00 0.00 O ATOM 984 CB VAL A 68 -0.183 -0.548 -5.846 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.085 -0.631 -7.361 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.360 -1.366 -5.334 1.00 0.00 C ATOM 0 H VAL A 68 1.020 0.083 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 68 1.268 -2.082 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.348 0.495 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.021 -0.292 -7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.732 0.002 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.104 -1.663 -7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.278 -1.018 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.204 -2.418 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.442 -1.249 -4.253 1.00 0.00 H new ATOM 996 N VAL A 69 2.317 1.067 -5.506 1.00 0.00 N ATOM 997 CA VAL A 69 3.377 1.933 -6.009 1.00 0.00 C ATOM 998 C VAL A 69 4.712 1.608 -5.347 1.00 0.00 C ATOM 999 O VAL A 69 5.765 1.679 -5.981 1.00 0.00 O ATOM 1000 CB VAL A 69 3.047 3.419 -5.772 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.173 4.304 -6.283 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.728 3.783 -6.435 1.00 0.00 C ATOM 0 H VAL A 69 1.617 1.544 -4.938 1.00 0.00 H new ATOM 0 HA VAL A 69 3.453 1.752 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 69 2.946 3.585 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.922 5.350 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.096 4.059 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.309 4.138 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.510 4.836 -6.258 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.798 3.602 -7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.929 3.172 -6.016 1.00 0.00 H new ATOM 1012 N LEU A 70 4.661 1.253 -4.068 1.00 0.00 N ATOM 1013 CA LEU A 70 5.866 0.916 -3.319 1.00 0.00 C ATOM 1014 C LEU A 70 6.111 -0.590 -3.329 1.00 0.00 C ATOM 1015 O LEU A 70 7.228 -1.049 -3.097 1.00 0.00 O ATOM 1016 CB LEU A 70 5.751 1.416 -1.878 1.00 0.00 C ATOM 1017 CG LEU A 70 5.098 2.786 -1.693 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.554 2.932 -0.281 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.092 3.897 -2.000 1.00 0.00 C ATOM 0 H LEU A 70 3.798 1.191 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 70 6.712 1.406 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.182 0.684 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.751 1.451 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 70 4.265 2.867 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.093 3.913 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.809 2.158 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.369 2.830 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.610 4.865 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.945 3.818 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.434 3.805 -3.031 1.00 0.00 H new ATOM 1031 N GLY A 71 5.057 -1.354 -3.600 1.00 0.00 N ATOM 1032 CA GLY A 71 5.178 -2.799 -3.638 1.00 0.00 C ATOM 1033 C GLY A 71 6.386 -3.260 -4.429 1.00 0.00 C ATOM 1034 O GLY A 71 7.016 -4.261 -4.088 1.00 0.00 O ATOM 0 H GLY A 71 4.121 -0.997 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.247 -3.181 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.276 -3.224 -4.078 1.00 0.00 H new ATOM 1038 N SER A 72 6.710 -2.528 -5.491 1.00 0.00 N ATOM 1039 CA SER A 72 7.848 -2.870 -6.336 1.00 0.00 C ATOM 1040 C SER A 72 8.940 -1.810 -6.232 1.00 0.00 C ATOM 1041 O SER A 72 8.698 -0.628 -6.474 1.00 0.00 O ATOM 1042 CB SER A 72 7.401 -3.017 -7.792 1.00 0.00 C ATOM 1043 OG SER A 72 6.766 -4.266 -8.007 1.00 0.00 O ATOM 0 H SER A 72 6.201 -1.695 -5.786 1.00 0.00 H new ATOM 0 HA SER A 72 8.255 -3.820 -5.990 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.717 -2.209 -8.049 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.264 -2.926 -8.452 1.00 0.00 H new ATOM 0 HG SER A 72 6.488 -4.335 -8.944 1.00 0.00 H new ATOM 1049 N ALA A 73 10.144 -2.243 -5.871 1.00 0.00 N ATOM 1050 CA ALA A 73 11.274 -1.333 -5.737 1.00 0.00 C ATOM 1051 C ALA A 73 11.399 -0.428 -6.957 1.00 0.00 C ATOM 1052 O ALA A 73 11.605 0.779 -6.830 1.00 0.00 O ATOM 1053 CB ALA A 73 12.561 -2.118 -5.526 1.00 0.00 C ATOM 0 H ALA A 73 10.361 -3.218 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 73 11.098 -0.702 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.397 -1.426 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.477 -2.717 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.731 -2.774 -6.380 1.00 0.00 H new ATOM 1059 N THR A 74 11.274 -1.019 -8.142 1.00 0.00 N ATOM 1060 CA THR A 74 11.374 -0.266 -9.386 1.00 0.00 C ATOM 1061 C THR A 74 10.448 0.945 -9.372 1.00 0.00 C ATOM 1062 O THR A 74 10.878 2.071 -9.624 1.00 0.00 O ATOM 1063 CB THR A 74 11.032 -1.145 -10.603 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.870 -2.306 -10.620 1.00 0.00 O ATOM 1065 CG2 THR A 74 11.210 -0.367 -11.899 1.00 0.00 C ATOM 0 H THR A 74 11.103 -2.017 -8.266 1.00 0.00 H new ATOM 0 HA THR A 74 12.407 0.071 -9.469 1.00 0.00 H new ATOM 0 HB THR A 74 9.989 -1.451 -10.521 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.645 -2.861 -11.396 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.963 -1.008 -12.745 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.550 0.501 -11.896 1.00 0.00 H new ATOM 0 HG23 THR A 74 12.245 -0.036 -11.985 1.00 0.00 H new ATOM 1073 N LEU A 75 9.175 0.707 -9.074 1.00 0.00 N ATOM 1074 CA LEU A 75 8.188 1.780 -9.026 1.00 0.00 C ATOM 1075 C LEU A 75 8.669 2.925 -8.141 1.00 0.00 C ATOM 1076 O LEU A 75 8.811 4.059 -8.599 1.00 0.00 O ATOM 1077 CB LEU A 75 6.851 1.246 -8.507 1.00 0.00 C ATOM 1078 CG LEU A 75 6.149 0.218 -9.395 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.843 -0.233 -8.758 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.898 0.793 -10.781 1.00 0.00 C ATOM 0 H LEU A 75 8.803 -0.219 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 75 8.053 2.161 -10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.017 0.797 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.177 2.090 -8.361 1.00 0.00 H new ATOM 0 HG LEU A 75 6.799 -0.651 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.357 -0.964 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.049 -0.685 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.187 0.627 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.398 0.047 -11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.268 1.678 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.849 1.066 -11.239 1.00 0.00 H new ATOM 1092 N ARG A 76 8.922 2.619 -6.873 1.00 0.00 N ATOM 1093 CA ARG A 76 9.389 3.622 -5.923 1.00 0.00 C ATOM 1094 C ARG A 76 10.334 4.612 -6.599 1.00 0.00 C ATOM 1095 O ARG A 76 10.142 5.825 -6.516 1.00 0.00 O ATOM 1096 CB ARG A 76 10.095 2.950 -4.744 1.00 0.00 C ATOM 1097 CG ARG A 76 9.219 1.959 -3.996 1.00 0.00 C ATOM 1098 CD ARG A 76 10.028 1.145 -2.997 1.00 0.00 C ATOM 1099 NE ARG A 76 10.081 1.784 -1.685 1.00 0.00 N ATOM 1100 CZ ARG A 76 10.984 1.485 -0.758 1.00 0.00 C ATOM 1101 NH1 ARG A 76 11.905 0.562 -0.999 1.00 0.00 N ATOM 1102 NH2 ARG A 76 10.968 2.110 0.412 1.00 0.00 N ATOM 0 H ARG A 76 8.812 1.685 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 76 8.521 4.168 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.983 2.434 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.435 3.718 -4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.426 2.494 -3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.736 1.289 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.589 0.152 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.041 1.010 -3.376 1.00 0.00 H new ATOM 0 HE ARG A 76 9.387 2.499 -1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.921 0.080 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.597 0.334 -0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.262 2.821 0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.662 1.879 1.123 1.00 0.00 H new ATOM 1116 N ARG A 77 11.355 4.085 -7.267 1.00 0.00 N ATOM 1117 CA ARG A 77 12.331 4.921 -7.955 1.00 0.00 C ATOM 1118 C ARG A 77 11.658 5.772 -9.028 1.00 0.00 C ATOM 1119 O ARG A 77 11.860 6.985 -9.092 1.00 0.00 O ATOM 1120 CB ARG A 77 13.422 4.054 -8.587 1.00 0.00 C ATOM 1121 CG ARG A 77 14.172 3.193 -7.584 1.00 0.00 C ATOM 1122 CD ARG A 77 14.740 1.943 -8.239 1.00 0.00 C ATOM 1123 NE ARG A 77 15.846 2.252 -9.141 1.00 0.00 N ATOM 1124 CZ ARG A 77 16.745 1.357 -9.536 1.00 0.00 C ATOM 1125 NH1 ARG A 77 16.668 0.104 -9.110 1.00 0.00 N ATOM 1126 NH2 ARG A 77 17.722 1.715 -10.359 1.00 0.00 N ATOM 0 H ARG A 77 11.528 3.083 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 77 12.785 5.586 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.971 3.409 -9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.133 4.699 -9.103 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.981 3.772 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.501 2.908 -6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.083 1.254 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.951 1.434 -8.793 1.00 0.00 H new ATOM 0 HE ARG A 77 15.933 3.208 -9.487 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.918 -0.175 -8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.359 -0.582 -9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.784 2.678 -10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.412 1.027 -10.662 1.00 0.00 H new ATOM 1140 N LYS A 78 10.856 5.128 -9.870 1.00 0.00 N ATOM 1141 CA LYS A 78 10.152 5.824 -10.940 1.00 0.00 C ATOM 1142 C LYS A 78 9.552 7.132 -10.435 1.00 0.00 C ATOM 1143 O LYS A 78 9.888 8.210 -10.926 1.00 0.00 O ATOM 1144 CB LYS A 78 9.048 4.933 -11.515 1.00 0.00 C ATOM 1145 CG LYS A 78 9.566 3.646 -12.134 1.00 0.00 C ATOM 1146 CD LYS A 78 8.612 3.111 -13.189 1.00 0.00 C ATOM 1147 CE LYS A 78 8.848 3.770 -14.539 1.00 0.00 C ATOM 1148 NZ LYS A 78 8.024 4.998 -14.709 1.00 0.00 N ATOM 0 H LYS A 78 10.678 4.124 -9.831 1.00 0.00 H new ATOM 0 HA LYS A 78 10.872 6.054 -11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.342 4.686 -10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.497 5.493 -12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.543 3.825 -12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.705 2.897 -11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.739 2.032 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.583 3.285 -12.873 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.903 4.024 -14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.613 3.062 -15.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.096 5.331 -15.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.031 4.783 -14.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.369 5.739 -14.066 1.00 0.00 H new ATOM 1162 N TYR A 79 8.665 7.031 -9.452 1.00 0.00 N ATOM 1163 CA TYR A 79 8.018 8.207 -8.882 1.00 0.00 C ATOM 1164 C TYR A 79 9.053 9.198 -8.360 1.00 0.00 C ATOM 1165 O TYR A 79 8.796 10.400 -8.285 1.00 0.00 O ATOM 1166 CB TYR A 79 7.072 7.797 -7.752 1.00 0.00 C ATOM 1167 CG TYR A 79 6.213 8.931 -7.240 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.024 9.268 -7.875 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.590 9.666 -6.123 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.235 10.303 -7.412 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.807 10.702 -5.652 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.631 11.017 -6.300 1.00 0.00 C ATOM 1173 OH TYR A 79 3.849 12.049 -5.835 1.00 0.00 O ATOM 0 H TYR A 79 8.377 6.147 -9.033 1.00 0.00 H new ATOM 0 HA TYR A 79 7.442 8.692 -9.670 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.426 6.993 -8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.659 7.395 -6.926 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.711 8.711 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.511 9.423 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.314 10.552 -7.918 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.114 11.262 -4.781 1.00 0.00 H new ATOM 0 HH TYR A 79 4.269 12.447 -5.044 1.00 0.00 H new ATOM 1183 N ASP A 80 10.225 8.686 -8.000 1.00 0.00 N ATOM 1184 CA ASP A 80 11.301 9.525 -7.486 1.00 0.00 C ATOM 1185 C ASP A 80 11.675 10.607 -8.495 1.00 0.00 C ATOM 1186 O ASP A 80 11.818 11.777 -8.140 1.00 0.00 O ATOM 1187 CB ASP A 80 12.527 8.673 -7.155 1.00 0.00 C ATOM 1188 CG ASP A 80 13.442 9.341 -6.148 1.00 0.00 C ATOM 1189 OD1 ASP A 80 13.217 9.162 -4.933 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.382 10.045 -6.574 1.00 0.00 O ATOM 0 H ASP A 80 10.454 7.694 -8.055 1.00 0.00 H new ATOM 0 HA ASP A 80 10.948 10.009 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.201 7.710 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.084 8.472 -8.070 1.00 0.00 H new ATOM 1195 N ARG A 81 11.834 10.207 -9.752 1.00 0.00 N ATOM 1196 CA ARG A 81 12.195 11.142 -10.812 1.00 0.00 C ATOM 1197 C ARG A 81 10.961 11.571 -11.601 1.00 0.00 C ATOM 1198 O ARG A 81 11.068 12.042 -12.732 1.00 0.00 O ATOM 1199 CB ARG A 81 13.220 10.508 -11.753 1.00 0.00 C ATOM 1200 CG ARG A 81 14.174 9.550 -11.058 1.00 0.00 C ATOM 1201 CD ARG A 81 14.963 10.247 -9.961 1.00 0.00 C ATOM 1202 NE ARG A 81 16.233 10.776 -10.452 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.362 11.973 -11.015 1.00 0.00 C ATOM 1204 NH1 ARG A 81 15.304 12.759 -11.157 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.551 12.384 -11.437 1.00 0.00 N ATOM 0 H ARG A 81 11.719 9.242 -10.062 1.00 0.00 H new ATOM 0 HA ARG A 81 12.635 12.025 -10.349 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.693 9.973 -12.543 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.797 11.298 -12.233 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.611 8.720 -10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.862 9.126 -11.789 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.367 11.060 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.152 9.545 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 81 17.066 10.195 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.389 12.446 -10.834 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.405 13.677 -11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.367 11.781 -11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.649 13.303 -11.869 1.00 0.00 H new ATOM 1219 N GLY A 82 9.789 11.403 -10.995 1.00 0.00 N ATOM 1220 CA GLY A 82 8.552 11.777 -11.656 1.00 0.00 C ATOM 1221 C GLY A 82 8.326 11.006 -12.941 1.00 0.00 C ATOM 1222 O GLY A 82 7.856 11.564 -13.934 1.00 0.00 O ATOM 0 H GLY A 82 9.674 11.015 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.715 11.603 -10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.569 12.845 -11.875 1.00 0.00 H new ATOM 1226 N LEU A 83 8.662 9.721 -12.926 1.00 0.00 N ATOM 1227 CA LEU A 83 8.494 8.872 -14.100 1.00 0.00 C ATOM 1228 C LEU A 83 7.170 8.116 -14.040 1.00 0.00 C ATOM 1229 O LEU A 83 6.644 7.683 -15.066 1.00 0.00 O ATOM 1230 CB LEU A 83 9.655 7.883 -14.209 1.00 0.00 C ATOM 1231 CG LEU A 83 11.059 8.481 -14.105 1.00 0.00 C ATOM 1232 CD1 LEU A 83 12.030 7.466 -13.523 1.00 0.00 C ATOM 1233 CD2 LEU A 83 11.537 8.958 -15.469 1.00 0.00 C ATOM 0 H LEU A 83 9.053 9.244 -12.113 1.00 0.00 H new ATOM 0 HA LEU A 83 8.486 9.512 -14.983 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.542 7.134 -13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.574 7.362 -15.163 1.00 0.00 H new ATOM 0 HG LEU A 83 11.019 9.340 -13.435 1.00 0.00 H new ATOM 0 HD11 LEU A 83 13.024 7.909 -13.457 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.696 7.173 -12.528 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.067 6.587 -14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.537 9.381 -15.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.561 8.116 -16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.855 9.719 -15.848 1.00 0.00 H new ATOM 1245 N LEU A 84 6.637 7.962 -12.834 1.00 0.00 N ATOM 1246 CA LEU A 84 5.373 7.260 -12.640 1.00 0.00 C ATOM 1247 C LEU A 84 4.245 7.950 -13.400 1.00 0.00 C ATOM 1248 O LEU A 84 3.991 9.140 -13.210 1.00 0.00 O ATOM 1249 CB LEU A 84 5.030 7.188 -11.151 1.00 0.00 C ATOM 1250 CG LEU A 84 4.076 6.067 -10.735 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.813 4.739 -10.663 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.423 6.390 -9.399 1.00 0.00 C ATOM 0 H LEU A 84 7.060 8.314 -11.975 1.00 0.00 H new ATOM 0 HA LEU A 84 5.484 6.248 -13.030 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.958 7.075 -10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.591 8.140 -10.853 1.00 0.00 H new ATOM 0 HG LEU A 84 3.293 5.984 -11.488 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.119 3.953 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.232 4.502 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.617 4.809 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.748 5.581 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.193 6.501 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.860 7.320 -9.484 1.00 0.00 H new ATOM 1264 N SER A 85 3.569 7.195 -14.260 1.00 0.00 N ATOM 1265 CA SER A 85 2.468 7.734 -15.050 1.00 0.00 C ATOM 1266 C SER A 85 1.150 7.628 -14.289 1.00 0.00 C ATOM 1267 O SER A 85 0.950 6.706 -13.498 1.00 0.00 O ATOM 1268 CB SER A 85 2.360 6.994 -16.385 1.00 0.00 C ATOM 1269 OG SER A 85 3.400 7.380 -17.267 1.00 0.00 O ATOM 0 H SER A 85 3.764 6.208 -14.428 1.00 0.00 H new ATOM 0 HA SER A 85 2.673 8.787 -15.242 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.405 5.919 -16.213 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.394 7.203 -16.843 1.00 0.00 H new ATOM 0 HG SER A 85 3.310 6.892 -18.112 1.00 0.00 H new ATOM 1275 N ASP A 86 0.255 8.577 -14.534 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.046 8.592 -13.874 1.00 0.00 C ATOM 1277 C ASP A 86 -1.700 7.215 -13.933 1.00 0.00 C ATOM 1278 O ASP A 86 -2.286 6.754 -12.954 1.00 0.00 O ATOM 1279 CB ASP A 86 -1.959 9.633 -14.522 1.00 0.00 C ATOM 1280 CG ASP A 86 -1.351 11.022 -14.514 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -0.483 11.294 -15.369 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -1.743 11.836 -13.651 1.00 0.00 O ATOM 0 H ASP A 86 0.406 9.347 -15.185 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.893 8.857 -12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.170 9.338 -15.550 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.913 9.654 -13.995 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.597 6.565 -15.088 1.00 0.00 N ATOM 1288 CA GLU A 87 -2.181 5.242 -15.275 1.00 0.00 C ATOM 1289 C GLU A 87 -1.631 4.255 -14.249 1.00 0.00 C ATOM 1290 O GLU A 87 -2.340 3.358 -13.794 1.00 0.00 O ATOM 1291 CB GLU A 87 -1.903 4.732 -16.690 1.00 0.00 C ATOM 1292 CG GLU A 87 -2.589 5.544 -17.776 1.00 0.00 C ATOM 1293 CD GLU A 87 -1.783 6.758 -18.194 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -0.699 6.576 -18.787 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -2.236 7.891 -17.928 1.00 0.00 O ATOM 0 H GLU A 87 -1.115 6.933 -15.908 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.258 5.325 -15.133 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.827 4.742 -16.866 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.229 3.694 -16.764 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.760 4.909 -18.645 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.567 5.867 -17.420 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.363 4.428 -13.892 1.00 0.00 N ATOM 1303 CA ASP A 88 0.283 3.554 -12.920 1.00 0.00 C ATOM 1304 C ASP A 88 -0.327 3.737 -11.534 1.00 0.00 C ATOM 1305 O ASP A 88 -0.471 2.777 -10.775 1.00 0.00 O ATOM 1306 CB ASP A 88 1.786 3.833 -12.870 1.00 0.00 C ATOM 1307 CG ASP A 88 2.424 3.813 -14.245 1.00 0.00 C ATOM 1308 OD1 ASP A 88 1.840 3.197 -15.162 1.00 0.00 O ATOM 1309 OD2 ASP A 88 3.507 4.415 -14.405 1.00 0.00 O ATOM 0 H ASP A 88 0.238 5.165 -14.261 1.00 0.00 H new ATOM 0 HA ASP A 88 0.123 2.523 -13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.957 4.805 -12.407 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.270 3.089 -12.237 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.682 4.975 -11.208 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.276 5.285 -9.912 1.00 0.00 C ATOM 1316 C LEU A 89 -2.535 4.455 -9.678 1.00 0.00 C ATOM 1317 O LEU A 89 -2.582 3.625 -8.770 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.610 6.775 -9.826 1.00 0.00 C ATOM 1319 CG LEU A 89 -0.418 7.724 -9.707 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -0.788 9.112 -10.206 1.00 0.00 C ATOM 1321 CD2 LEU A 89 0.074 7.787 -8.268 1.00 0.00 C ATOM 0 H LEU A 89 -0.569 5.781 -11.823 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.550 5.036 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.181 7.051 -10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.261 6.932 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 89 0.390 7.339 -10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.073 9.774 -10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.090 9.054 -11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.613 9.505 -9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.923 8.468 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.729 8.146 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.381 6.792 -7.945 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.551 4.685 -10.503 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.809 3.958 -10.386 1.00 0.00 C ATOM 1335 C ARG A 90 -4.577 2.452 -10.464 1.00 0.00 C ATOM 1336 O ARG A 90 -5.201 1.679 -9.739 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.778 4.393 -11.486 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.315 4.025 -12.886 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.830 2.655 -13.301 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.274 2.656 -13.518 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.855 3.165 -14.598 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.118 3.712 -15.555 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -9.175 3.128 -14.723 1.00 0.00 N ATOM 0 H ARG A 90 -3.528 5.369 -11.259 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.245 4.191 -9.414 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.751 3.937 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.917 5.473 -11.430 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.664 4.776 -13.595 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.226 4.032 -12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.326 2.340 -14.215 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.580 1.925 -12.531 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.869 2.243 -12.800 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.103 3.742 -15.462 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.566 4.102 -16.384 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.745 2.708 -13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.620 3.519 -15.553 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.674 2.043 -11.351 1.00 0.00 N ATOM 1358 CA GLY A 91 -3.376 0.632 -11.508 1.00 0.00 C ATOM 1359 C GLY A 91 -4.485 -0.120 -12.217 1.00 0.00 C ATOM 1360 O GLY A 91 -5.384 -0.679 -11.590 1.00 0.00 O ATOM 0 H GLY A 91 -3.144 2.664 -11.963 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.449 0.520 -12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.210 0.188 -10.527 1.00 0.00 H new ATOM 1364 N PRO A 92 -4.430 -0.138 -13.557 1.00 0.00 N ATOM 1365 CA PRO A 92 -5.431 -0.822 -14.381 1.00 0.00 C ATOM 1366 C PRO A 92 -5.343 -2.340 -14.259 1.00 0.00 C ATOM 1367 O PRO A 92 -4.334 -2.944 -14.621 1.00 0.00 O ATOM 1368 CB PRO A 92 -5.082 -0.379 -15.804 1.00 0.00 C ATOM 1369 CG PRO A 92 -3.632 -0.039 -15.750 1.00 0.00 C ATOM 1370 CD PRO A 92 -3.386 0.508 -14.371 1.00 0.00 C ATOM 0 HA PRO A 92 -6.448 -0.571 -14.079 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.276 -1.173 -16.525 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.679 0.480 -16.109 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.017 -0.920 -15.936 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.375 0.696 -16.513 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.387 0.261 -14.013 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.473 1.594 -14.348 1.00 0.00 H new ATOM 1378 N GLY A 93 -6.407 -2.950 -13.748 1.00 0.00 N ATOM 1379 CA GLY A 93 -6.429 -4.393 -13.588 1.00 0.00 C ATOM 1380 C GLY A 93 -7.060 -5.098 -14.772 1.00 0.00 C ATOM 1381 O GLY A 93 -8.172 -5.615 -14.675 1.00 0.00 O ATOM 0 H GLY A 93 -7.254 -2.472 -13.442 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.410 -4.756 -13.454 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.980 -4.647 -12.682 1.00 0.00 H new ATOM 1385 N SER A 94 -6.348 -5.117 -15.895 1.00 0.00 N ATOM 1386 CA SER A 94 -6.847 -5.759 -17.105 1.00 0.00 C ATOM 1387 C SER A 94 -7.247 -7.205 -16.828 1.00 0.00 C ATOM 1388 O SER A 94 -6.516 -7.950 -16.177 1.00 0.00 O ATOM 1389 CB SER A 94 -5.786 -5.714 -18.206 1.00 0.00 C ATOM 1390 OG SER A 94 -6.236 -6.375 -19.376 1.00 0.00 O ATOM 0 H SER A 94 -5.424 -4.695 -15.991 1.00 0.00 H new ATOM 0 HA SER A 94 -7.730 -5.214 -17.438 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.545 -4.677 -18.440 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.868 -6.182 -17.850 1.00 0.00 H new ATOM 0 HG SER A 94 -5.540 -6.331 -20.065 1.00 0.00 H new ATOM 1396 N GLY A 95 -8.416 -7.596 -17.328 1.00 0.00 N ATOM 1397 CA GLY A 95 -8.894 -8.951 -17.124 1.00 0.00 C ATOM 1398 C GLY A 95 -8.453 -9.894 -18.225 1.00 0.00 C ATOM 1399 O GLY A 95 -8.331 -9.510 -19.389 1.00 0.00 O ATOM 0 H GLY A 95 -9.040 -6.999 -17.870 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.530 -9.321 -16.166 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.983 -8.945 -17.070 1.00 0.00 H new ATOM 1403 N PRO A 96 -8.202 -11.160 -17.861 1.00 0.00 N ATOM 1404 CA PRO A 96 -7.766 -12.186 -18.812 1.00 0.00 C ATOM 1405 C PRO A 96 -8.871 -12.582 -19.785 1.00 0.00 C ATOM 1406 O PRO A 96 -8.689 -13.468 -20.619 1.00 0.00 O ATOM 1407 CB PRO A 96 -7.396 -13.369 -17.914 1.00 0.00 C ATOM 1408 CG PRO A 96 -8.207 -13.174 -16.679 1.00 0.00 C ATOM 1409 CD PRO A 96 -8.326 -11.687 -16.491 1.00 0.00 C ATOM 0 HA PRO A 96 -6.946 -11.837 -19.440 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -7.629 -14.319 -18.395 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.329 -13.378 -17.690 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.190 -13.634 -16.781 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.725 -13.639 -15.819 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.280 -11.414 -16.040 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.543 -11.300 -15.839 1.00 0.00 H new ATOM 1417 N SER A 97 -10.018 -11.918 -19.673 1.00 0.00 N ATOM 1418 CA SER A 97 -11.154 -12.203 -20.541 1.00 0.00 C ATOM 1419 C SER A 97 -11.643 -13.635 -20.343 1.00 0.00 C ATOM 1420 O SER A 97 -11.744 -14.406 -21.297 1.00 0.00 O ATOM 1421 CB SER A 97 -10.772 -11.981 -22.006 1.00 0.00 C ATOM 1422 OG SER A 97 -10.288 -10.666 -22.213 1.00 0.00 O ATOM 0 H SER A 97 -10.184 -11.179 -18.990 1.00 0.00 H new ATOM 0 HA SER A 97 -11.962 -11.521 -20.276 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.010 -12.703 -22.300 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.640 -12.157 -22.642 1.00 0.00 H new ATOM 0 HG SER A 97 -10.049 -10.550 -23.156 1.00 0.00 H new ATOM 1428 N SER A 98 -11.947 -13.982 -19.096 1.00 0.00 N ATOM 1429 CA SER A 98 -12.422 -15.322 -18.770 1.00 0.00 C ATOM 1430 C SER A 98 -13.854 -15.278 -18.247 1.00 0.00 C ATOM 1431 O SER A 98 -14.364 -14.217 -17.890 1.00 0.00 O ATOM 1432 CB SER A 98 -11.507 -15.972 -17.730 1.00 0.00 C ATOM 1433 OG SER A 98 -11.562 -15.276 -16.497 1.00 0.00 O ATOM 0 H SER A 98 -11.873 -13.354 -18.295 1.00 0.00 H new ATOM 0 HA SER A 98 -12.405 -15.919 -19.682 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.803 -17.010 -17.579 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.482 -15.983 -18.099 1.00 0.00 H new ATOM 0 HG SER A 98 -10.970 -15.712 -15.849 1.00 0.00 H new ATOM 1439 N GLY A 99 -14.499 -16.440 -18.206 1.00 0.00 N ATOM 1440 CA GLY A 99 -15.867 -16.513 -17.726 1.00 0.00 C ATOM 1441 C GLY A 99 -16.663 -17.608 -18.408 1.00 0.00 C ATOM 1442 O GLY A 99 -17.873 -17.483 -18.590 1.00 0.00 O ATOM 0 H GLY A 99 -14.099 -17.332 -18.497 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.862 -16.688 -16.650 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.358 -15.554 -17.891 1.00 0.00 H new TER 1446 GLY A 99