USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 478 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 20 THR OG1 : rot -72:sc= -0.126 USER MOD Set 1.2: A 27 CYS SG : rot 110:sc= -0.818 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 SER OG : rot 45:sc= 0.572 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 157:sc= -0.354 (180deg=-1.31!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.747) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.78 K(o=-1.8,f=-5.7!) USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -0.143 (180deg=-0.929) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 72:sc= 0.209 USER MOD Single : A 34 CYS SG : rot -94:sc= -2.64! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.71) USER MOD Single : A 47 LYS NZ :NH3+ -146:sc= -0.0905 (180deg=-1.42!) USER MOD Single : A 50 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.026 (180deg=-0.289) USER MOD Single : A 59 SER OG : rot 130:sc=-7.93e-05 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.651 22.882 -2.676 1.00 0.00 N ATOM 2 CA GLY A 1 12.266 21.601 -2.970 1.00 0.00 C ATOM 3 C GLY A 1 13.503 21.346 -2.131 1.00 0.00 C ATOM 4 O GLY A 1 14.625 21.567 -2.585 1.00 0.00 O ATOM 0 H1 GLY A 1 10.810 23.009 -3.275 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.371 22.911 -1.675 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.331 23.645 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.542 20.805 -2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.533 21.563 -4.026 1.00 0.00 H new ATOM 8 N SER A 2 13.297 20.880 -0.903 1.00 0.00 N ATOM 9 CA SER A 2 14.405 20.600 0.004 1.00 0.00 C ATOM 10 C SER A 2 14.054 19.459 0.954 1.00 0.00 C ATOM 11 O SER A 2 12.882 19.135 1.146 1.00 0.00 O ATOM 12 CB SER A 2 14.766 21.853 0.804 1.00 0.00 C ATOM 13 OG SER A 2 13.645 22.340 1.522 1.00 0.00 O ATOM 0 H SER A 2 12.374 20.688 -0.513 1.00 0.00 H new ATOM 0 HA SER A 2 15.265 20.300 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.575 21.625 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.133 22.626 0.129 1.00 0.00 H new ATOM 0 HG SER A 2 13.902 23.140 2.026 1.00 0.00 H new ATOM 19 N SER A 3 15.078 18.854 1.545 1.00 0.00 N ATOM 20 CA SER A 3 14.880 17.746 2.473 1.00 0.00 C ATOM 21 C SER A 3 16.043 17.645 3.455 1.00 0.00 C ATOM 22 O SER A 3 17.096 18.248 3.252 1.00 0.00 O ATOM 23 CB SER A 3 14.730 16.431 1.706 1.00 0.00 C ATOM 24 OG SER A 3 15.925 16.102 1.019 1.00 0.00 O ATOM 0 H SER A 3 16.054 19.112 1.398 1.00 0.00 H new ATOM 0 HA SER A 3 13.967 17.936 3.037 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.473 15.630 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.909 16.513 0.994 1.00 0.00 H new ATOM 0 HG SER A 3 15.804 15.257 0.538 1.00 0.00 H new ATOM 30 N GLY A 4 15.843 16.878 4.523 1.00 0.00 N ATOM 31 CA GLY A 4 16.883 16.711 5.521 1.00 0.00 C ATOM 32 C GLY A 4 17.535 15.344 5.457 1.00 0.00 C ATOM 33 O GLY A 4 18.353 15.080 4.575 1.00 0.00 O ATOM 0 H GLY A 4 14.980 16.370 4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.643 17.479 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.457 16.861 6.513 1.00 0.00 H new ATOM 37 N SER A 5 17.174 14.473 6.394 1.00 0.00 N ATOM 38 CA SER A 5 17.734 13.128 6.443 1.00 0.00 C ATOM 39 C SER A 5 17.313 12.319 5.219 1.00 0.00 C ATOM 40 O SER A 5 16.226 11.744 5.186 1.00 0.00 O ATOM 41 CB SER A 5 17.287 12.413 7.719 1.00 0.00 C ATOM 42 OG SER A 5 17.563 13.198 8.867 1.00 0.00 O ATOM 0 H SER A 5 16.496 14.675 7.129 1.00 0.00 H new ATOM 0 HA SER A 5 18.821 13.213 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.219 12.203 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.797 11.453 7.800 1.00 0.00 H new ATOM 0 HG SER A 5 17.266 12.720 9.669 1.00 0.00 H new ATOM 48 N SER A 6 18.184 12.281 4.216 1.00 0.00 N ATOM 49 CA SER A 6 17.902 11.546 2.988 1.00 0.00 C ATOM 50 C SER A 6 17.658 10.069 3.282 1.00 0.00 C ATOM 51 O SER A 6 18.548 9.363 3.753 1.00 0.00 O ATOM 52 CB SER A 6 19.062 11.696 2.001 1.00 0.00 C ATOM 53 OG SER A 6 18.802 10.994 0.798 1.00 0.00 O ATOM 0 H SER A 6 19.090 12.750 4.229 1.00 0.00 H new ATOM 0 HA SER A 6 16.999 11.964 2.543 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.223 12.752 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.980 11.321 2.454 1.00 0.00 H new ATOM 0 HG SER A 6 19.557 11.107 0.184 1.00 0.00 H new ATOM 59 N GLY A 7 16.442 9.609 3.001 1.00 0.00 N ATOM 60 CA GLY A 7 16.101 8.220 3.242 1.00 0.00 C ATOM 61 C GLY A 7 14.718 8.058 3.840 1.00 0.00 C ATOM 62 O GLY A 7 14.565 7.495 4.925 1.00 0.00 O ATOM 0 H GLY A 7 15.688 10.174 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.155 7.668 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.838 7.779 3.914 1.00 0.00 H new ATOM 66 N SER A 8 13.707 8.553 3.133 1.00 0.00 N ATOM 67 CA SER A 8 12.329 8.466 3.604 1.00 0.00 C ATOM 68 C SER A 8 11.349 8.742 2.469 1.00 0.00 C ATOM 69 O SER A 8 11.605 9.578 1.602 1.00 0.00 O ATOM 70 CB SER A 8 12.095 9.454 4.748 1.00 0.00 C ATOM 71 OG SER A 8 11.076 8.995 5.618 1.00 0.00 O ATOM 0 H SER A 8 13.816 9.018 2.232 1.00 0.00 H new ATOM 0 HA SER A 8 12.159 7.453 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.020 9.593 5.308 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.819 10.427 4.342 1.00 0.00 H new ATOM 0 HG SER A 8 10.947 9.643 6.341 1.00 0.00 H new ATOM 77 N SER A 9 10.224 8.033 2.481 1.00 0.00 N ATOM 78 CA SER A 9 9.206 8.199 1.451 1.00 0.00 C ATOM 79 C SER A 9 7.894 8.687 2.057 1.00 0.00 C ATOM 80 O SER A 9 7.050 7.888 2.466 1.00 0.00 O ATOM 81 CB SER A 9 8.979 6.879 0.711 1.00 0.00 C ATOM 82 OG SER A 9 8.652 5.837 1.615 1.00 0.00 O ATOM 0 H SER A 9 9.995 7.339 3.192 1.00 0.00 H new ATOM 0 HA SER A 9 9.560 8.948 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.176 6.999 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.877 6.612 0.153 1.00 0.00 H new ATOM 0 HG SER A 9 7.988 6.160 2.260 1.00 0.00 H new ATOM 88 N LYS A 10 7.729 10.004 2.114 1.00 0.00 N ATOM 89 CA LYS A 10 6.520 10.601 2.669 1.00 0.00 C ATOM 90 C LYS A 10 5.590 11.080 1.558 1.00 0.00 C ATOM 91 O LYS A 10 4.402 10.759 1.551 1.00 0.00 O ATOM 92 CB LYS A 10 6.880 11.771 3.587 1.00 0.00 C ATOM 93 CG LYS A 10 5.882 11.993 4.710 1.00 0.00 C ATOM 94 CD LYS A 10 4.641 12.718 4.218 1.00 0.00 C ATOM 95 CE LYS A 10 4.891 14.211 4.067 1.00 0.00 C ATOM 96 NZ LYS A 10 4.834 14.918 5.376 1.00 0.00 N ATOM 0 H LYS A 10 8.418 10.679 1.782 1.00 0.00 H new ATOM 0 HA LYS A 10 6.001 9.838 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.865 11.594 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.952 12.681 2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.597 11.033 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.351 12.572 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.331 12.301 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.821 12.554 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.867 14.371 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.149 14.637 3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.009 15.933 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.894 14.787 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.559 14.529 6.012 1.00 0.00 H new ATOM 110 N GLU A 11 6.140 11.847 0.622 1.00 0.00 N ATOM 111 CA GLU A 11 5.358 12.369 -0.493 1.00 0.00 C ATOM 112 C GLU A 11 4.571 11.253 -1.174 1.00 0.00 C ATOM 113 O GLU A 11 3.416 11.440 -1.562 1.00 0.00 O ATOM 114 CB GLU A 11 6.273 13.056 -1.509 1.00 0.00 C ATOM 115 CG GLU A 11 5.580 14.139 -2.318 1.00 0.00 C ATOM 116 CD GLU A 11 5.580 15.482 -1.616 1.00 0.00 C ATOM 117 OE1 GLU A 11 4.696 15.707 -0.763 1.00 0.00 O ATOM 118 OE2 GLU A 11 6.465 16.310 -1.920 1.00 0.00 O ATOM 0 H GLU A 11 7.123 12.120 0.613 1.00 0.00 H new ATOM 0 HA GLU A 11 4.652 13.100 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.121 13.494 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.673 12.305 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.075 14.238 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.552 13.837 -2.516 1.00 0.00 H new ATOM 125 N LEU A 12 5.203 10.094 -1.317 1.00 0.00 N ATOM 126 CA LEU A 12 4.562 8.947 -1.952 1.00 0.00 C ATOM 127 C LEU A 12 3.564 8.288 -1.006 1.00 0.00 C ATOM 128 O LEU A 12 2.549 7.741 -1.440 1.00 0.00 O ATOM 129 CB LEU A 12 5.616 7.928 -2.391 1.00 0.00 C ATOM 130 CG LEU A 12 6.297 8.202 -3.732 1.00 0.00 C ATOM 131 CD1 LEU A 12 5.438 7.697 -4.880 1.00 0.00 C ATOM 132 CD2 LEU A 12 6.583 9.688 -3.891 1.00 0.00 C ATOM 0 H LEU A 12 6.158 9.923 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 12 4.022 9.303 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.385 7.875 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.145 6.946 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 12 7.246 7.666 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.939 7.901 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.285 6.623 -4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.474 8.205 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.068 9.865 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.647 10.245 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.239 10.020 -3.087 1.00 0.00 H new ATOM 144 N LEU A 13 3.857 8.345 0.289 1.00 0.00 N ATOM 145 CA LEU A 13 2.984 7.756 1.298 1.00 0.00 C ATOM 146 C LEU A 13 1.659 8.508 1.378 1.00 0.00 C ATOM 147 O LEU A 13 0.595 7.900 1.490 1.00 0.00 O ATOM 148 CB LEU A 13 3.672 7.764 2.664 1.00 0.00 C ATOM 149 CG LEU A 13 2.757 7.595 3.877 1.00 0.00 C ATOM 150 CD1 LEU A 13 2.441 6.126 4.107 1.00 0.00 C ATOM 151 CD2 LEU A 13 3.396 8.205 5.116 1.00 0.00 C ATOM 0 H LEU A 13 4.693 8.793 0.665 1.00 0.00 H new ATOM 0 HA LEU A 13 2.778 6.726 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.414 6.966 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.213 8.704 2.770 1.00 0.00 H new ATOM 0 HG LEU A 13 1.822 8.120 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.789 6.026 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.941 5.719 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.367 5.578 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.731 8.076 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.346 7.709 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.570 9.268 4.950 1.00 0.00 H new ATOM 163 N MET A 14 1.733 9.834 1.318 1.00 0.00 N ATOM 164 CA MET A 14 0.539 10.669 1.381 1.00 0.00 C ATOM 165 C MET A 14 -0.348 10.442 0.160 1.00 0.00 C ATOM 166 O MET A 14 -1.574 10.431 0.265 1.00 0.00 O ATOM 167 CB MET A 14 0.928 12.145 1.476 1.00 0.00 C ATOM 168 CG MET A 14 1.172 12.619 2.900 1.00 0.00 C ATOM 169 SD MET A 14 1.505 14.388 2.995 1.00 0.00 S ATOM 170 CE MET A 14 0.054 15.051 2.182 1.00 0.00 C ATOM 0 H MET A 14 2.606 10.353 1.226 1.00 0.00 H new ATOM 0 HA MET A 14 -0.023 10.391 2.273 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.829 12.313 0.886 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.138 12.750 1.031 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.301 12.384 3.511 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.015 12.071 3.322 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.105 16.080 2.504 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.199 15.027 1.102 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.817 14.450 2.445 1.00 0.00 H new ATOM 180 N LYS A 15 0.281 10.261 -0.996 1.00 0.00 N ATOM 181 CA LYS A 15 -0.450 10.034 -2.237 1.00 0.00 C ATOM 182 C LYS A 15 -1.102 8.654 -2.240 1.00 0.00 C ATOM 183 O LYS A 15 -2.286 8.516 -2.548 1.00 0.00 O ATOM 184 CB LYS A 15 0.488 10.169 -3.438 1.00 0.00 C ATOM 185 CG LYS A 15 0.902 11.601 -3.729 1.00 0.00 C ATOM 186 CD LYS A 15 1.900 11.672 -4.872 1.00 0.00 C ATOM 187 CE LYS A 15 1.200 11.767 -6.219 1.00 0.00 C ATOM 188 NZ LYS A 15 0.938 13.180 -6.609 1.00 0.00 N ATOM 0 H LYS A 15 1.296 10.267 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.234 10.787 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.381 9.571 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.002 9.755 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.021 12.192 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.340 12.043 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.549 12.537 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.538 10.789 -4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.813 11.287 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.258 11.221 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.460 13.202 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.332 13.631 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.839 13.695 -6.673 1.00 0.00 H new ATOM 202 N LEU A 16 -0.321 7.636 -1.894 1.00 0.00 N ATOM 203 CA LEU A 16 -0.823 6.267 -1.855 1.00 0.00 C ATOM 204 C LEU A 16 -1.898 6.111 -0.784 1.00 0.00 C ATOM 205 O LEU A 16 -2.655 5.140 -0.787 1.00 0.00 O ATOM 206 CB LEU A 16 0.324 5.290 -1.588 1.00 0.00 C ATOM 207 CG LEU A 16 -0.011 3.806 -1.734 1.00 0.00 C ATOM 208 CD1 LEU A 16 -0.342 3.473 -3.181 1.00 0.00 C ATOM 209 CD2 LEU A 16 1.143 2.947 -1.238 1.00 0.00 C ATOM 0 H LEU A 16 0.661 7.733 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.267 6.041 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.142 5.526 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.692 5.461 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.887 3.590 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.578 2.412 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.201 4.062 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.515 3.706 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.887 1.893 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.037 3.167 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.333 3.165 -0.187 1.00 0.00 H new ATOM 221 N ARG A 17 -1.960 7.075 0.130 1.00 0.00 N ATOM 222 CA ARG A 17 -2.943 7.045 1.206 1.00 0.00 C ATOM 223 C ARG A 17 -4.354 7.238 0.659 1.00 0.00 C ATOM 224 O ARG A 17 -5.276 6.507 1.022 1.00 0.00 O ATOM 225 CB ARG A 17 -2.632 8.129 2.239 1.00 0.00 C ATOM 226 CG ARG A 17 -3.068 7.769 3.650 1.00 0.00 C ATOM 227 CD ARG A 17 -4.570 7.931 3.828 1.00 0.00 C ATOM 228 NE ARG A 17 -4.987 9.326 3.716 1.00 0.00 N ATOM 229 CZ ARG A 17 -6.258 9.712 3.684 1.00 0.00 C ATOM 230 NH1 ARG A 17 -7.230 8.813 3.757 1.00 0.00 N ATOM 231 NH2 ARG A 17 -6.558 11.001 3.581 1.00 0.00 N ATOM 0 H ARG A 17 -1.341 7.886 0.146 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.889 6.068 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.559 8.323 2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.124 9.055 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.784 6.740 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.545 8.403 4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.090 7.336 3.078 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.864 7.542 4.803 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.264 10.043 3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.003 7.822 3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.205 9.113 3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.813 11.695 3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.534 11.297 3.556 1.00 0.00 H new ATOM 245 N ARG A 18 -4.515 8.226 -0.215 1.00 0.00 N ATOM 246 CA ARG A 18 -5.813 8.516 -0.811 1.00 0.00 C ATOM 247 C ARG A 18 -6.106 7.564 -1.967 1.00 0.00 C ATOM 248 O ARG A 18 -7.257 7.203 -2.213 1.00 0.00 O ATOM 249 CB ARG A 18 -5.861 9.963 -1.303 1.00 0.00 C ATOM 250 CG ARG A 18 -4.741 10.315 -2.269 1.00 0.00 C ATOM 251 CD ARG A 18 -4.852 11.753 -2.751 1.00 0.00 C ATOM 252 NE ARG A 18 -3.617 12.217 -3.378 1.00 0.00 N ATOM 253 CZ ARG A 18 -3.405 13.477 -3.739 1.00 0.00 C ATOM 254 NH1 ARG A 18 -4.340 14.395 -3.536 1.00 0.00 N ATOM 255 NH2 ARG A 18 -2.255 13.822 -4.304 1.00 0.00 N ATOM 0 H ARG A 18 -3.762 8.839 -0.526 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.575 8.375 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.819 10.140 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.812 10.632 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.778 10.167 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.771 9.640 -3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.673 11.834 -3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.096 12.400 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.877 11.536 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.225 14.134 -3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.174 15.362 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.533 13.119 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.093 14.790 -4.581 1.00 0.00 H new ATOM 269 N LYS A 19 -5.056 7.161 -2.675 1.00 0.00 N ATOM 270 CA LYS A 19 -5.198 6.250 -3.805 1.00 0.00 C ATOM 271 C LYS A 19 -5.918 4.972 -3.386 1.00 0.00 C ATOM 272 O LYS A 19 -7.032 4.699 -3.834 1.00 0.00 O ATOM 273 CB LYS A 19 -3.825 5.908 -4.386 1.00 0.00 C ATOM 274 CG LYS A 19 -3.357 6.880 -5.455 1.00 0.00 C ATOM 275 CD LYS A 19 -3.804 6.443 -6.840 1.00 0.00 C ATOM 276 CE LYS A 19 -2.819 5.464 -7.461 1.00 0.00 C ATOM 277 NZ LYS A 19 -1.645 6.161 -8.055 1.00 0.00 N ATOM 0 H LYS A 19 -4.097 7.451 -2.486 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.795 6.748 -4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.093 5.889 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.859 4.904 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.750 7.874 -5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.270 6.955 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.788 5.979 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.905 7.317 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.478 4.761 -6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.323 4.881 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.828 5.518 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.869 6.451 -9.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.417 7.002 -7.487 1.00 0.00 H new ATOM 291 N THR A 20 -5.274 4.191 -2.524 1.00 0.00 N ATOM 292 CA THR A 20 -5.853 2.942 -2.046 1.00 0.00 C ATOM 293 C THR A 20 -6.895 3.198 -0.963 1.00 0.00 C ATOM 294 O THR A 20 -8.022 2.710 -1.044 1.00 0.00 O ATOM 295 CB THR A 20 -4.771 1.999 -1.487 1.00 0.00 C ATOM 296 OG1 THR A 20 -4.345 2.451 -0.197 1.00 0.00 O ATOM 297 CG2 THR A 20 -3.575 1.931 -2.426 1.00 0.00 C ATOM 0 H THR A 20 -4.352 4.402 -2.143 1.00 0.00 H new ATOM 0 HA THR A 20 -6.332 2.468 -2.903 1.00 0.00 H new ATOM 0 HB THR A 20 -5.201 1.001 -1.398 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.806 3.263 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.824 1.259 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.897 1.559 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.147 2.927 -2.542 1.00 0.00 H new ATOM 305 N GLY A 21 -6.512 3.968 0.051 1.00 0.00 N ATOM 306 CA GLY A 21 -7.426 4.276 1.135 1.00 0.00 C ATOM 307 C GLY A 21 -6.981 3.679 2.456 1.00 0.00 C ATOM 308 O GLY A 21 -7.494 4.043 3.514 1.00 0.00 O ATOM 0 H GLY A 21 -5.585 4.384 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.510 5.358 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.419 3.901 0.887 1.00 0.00 H new ATOM 312 N TYR A 22 -6.026 2.758 2.395 1.00 0.00 N ATOM 313 CA TYR A 22 -5.516 2.105 3.594 1.00 0.00 C ATOM 314 C TYR A 22 -4.736 3.090 4.460 1.00 0.00 C ATOM 315 O TYR A 22 -4.167 4.060 3.958 1.00 0.00 O ATOM 316 CB TYR A 22 -4.622 0.923 3.216 1.00 0.00 C ATOM 317 CG TYR A 22 -5.380 -0.242 2.621 1.00 0.00 C ATOM 318 CD1 TYR A 22 -6.154 -1.075 3.419 1.00 0.00 C ATOM 319 CD2 TYR A 22 -5.323 -0.509 1.258 1.00 0.00 C ATOM 320 CE1 TYR A 22 -6.847 -2.141 2.879 1.00 0.00 C ATOM 321 CE2 TYR A 22 -6.014 -1.572 0.709 1.00 0.00 C ATOM 322 CZ TYR A 22 -6.774 -2.385 1.524 1.00 0.00 C ATOM 323 OH TYR A 22 -7.464 -3.445 0.981 1.00 0.00 O ATOM 0 H TYR A 22 -5.589 2.447 1.527 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.367 1.739 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.871 1.260 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.088 0.583 4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.215 -0.886 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.728 0.125 0.617 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.443 -2.780 3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.959 -1.765 -0.352 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.307 -3.477 0.014 1.00 0.00 H new ATOM 333 N SER A 23 -4.714 2.833 5.764 1.00 0.00 N ATOM 334 CA SER A 23 -4.007 3.698 6.702 1.00 0.00 C ATOM 335 C SER A 23 -2.582 3.964 6.226 1.00 0.00 C ATOM 336 O SER A 23 -2.049 3.239 5.386 1.00 0.00 O ATOM 337 CB SER A 23 -3.982 3.063 8.094 1.00 0.00 C ATOM 338 OG SER A 23 -5.206 3.277 8.774 1.00 0.00 O ATOM 0 H SER A 23 -5.177 2.033 6.195 1.00 0.00 H new ATOM 0 HA SER A 23 -4.538 4.649 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.794 1.993 8.006 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.161 3.484 8.675 1.00 0.00 H new ATOM 0 HG SER A 23 -5.165 2.860 9.660 1.00 0.00 H new ATOM 344 N PHE A 24 -1.969 5.011 6.770 1.00 0.00 N ATOM 345 CA PHE A 24 -0.606 5.376 6.401 1.00 0.00 C ATOM 346 C PHE A 24 0.360 4.231 6.690 1.00 0.00 C ATOM 347 O PHE A 24 1.132 3.821 5.824 1.00 0.00 O ATOM 348 CB PHE A 24 -0.169 6.631 7.160 1.00 0.00 C ATOM 349 CG PHE A 24 -0.850 7.884 6.687 1.00 0.00 C ATOM 350 CD1 PHE A 24 -2.170 8.138 7.021 1.00 0.00 C ATOM 351 CD2 PHE A 24 -0.169 8.807 5.911 1.00 0.00 C ATOM 352 CE1 PHE A 24 -2.799 9.290 6.587 1.00 0.00 C ATOM 353 CE2 PHE A 24 -0.792 9.961 5.475 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.109 10.203 5.814 1.00 0.00 C ATOM 0 H PHE A 24 -2.395 5.621 7.468 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.588 5.582 5.331 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.374 6.494 8.222 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.909 6.752 7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.714 7.428 7.627 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.861 8.623 5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.829 9.476 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.250 10.673 4.870 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.598 11.104 5.475 1.00 0.00 H new ATOM 364 N VAL A 25 0.311 3.718 7.916 1.00 0.00 N ATOM 365 CA VAL A 25 1.181 2.620 8.321 1.00 0.00 C ATOM 366 C VAL A 25 1.148 1.488 7.300 1.00 0.00 C ATOM 367 O VAL A 25 2.170 0.865 7.015 1.00 0.00 O ATOM 368 CB VAL A 25 0.779 2.065 9.700 1.00 0.00 C ATOM 369 CG1 VAL A 25 0.990 3.115 10.780 1.00 0.00 C ATOM 370 CG2 VAL A 25 -0.665 1.589 9.682 1.00 0.00 C ATOM 0 H VAL A 25 -0.322 4.045 8.646 1.00 0.00 H new ATOM 0 HA VAL A 25 2.192 3.022 8.381 1.00 0.00 H new ATOM 0 HB VAL A 25 1.416 1.210 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.701 2.705 11.748 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.041 3.403 10.807 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.380 3.991 10.560 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.932 1.200 10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.320 2.423 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.779 0.802 8.937 1.00 0.00 H new ATOM 380 N ASN A 26 -0.035 1.227 6.752 1.00 0.00 N ATOM 381 CA ASN A 26 -0.202 0.169 5.763 1.00 0.00 C ATOM 382 C ASN A 26 0.566 0.493 4.485 1.00 0.00 C ATOM 383 O ASN A 26 1.546 -0.173 4.151 1.00 0.00 O ATOM 384 CB ASN A 26 -1.685 -0.030 5.444 1.00 0.00 C ATOM 385 CG ASN A 26 -2.471 -0.531 6.640 1.00 0.00 C ATOM 386 OD1 ASN A 26 -1.963 -0.566 7.760 1.00 0.00 O ATOM 387 ND2 ASN A 26 -3.718 -0.923 6.405 1.00 0.00 N ATOM 0 H ASN A 26 -0.891 1.734 6.976 1.00 0.00 H new ATOM 0 HA ASN A 26 0.199 -0.753 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.110 0.914 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.785 -0.740 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.296 -1.271 7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.098 -0.876 5.459 1.00 0.00 H new ATOM 394 N CYS A 27 0.113 1.521 3.774 1.00 0.00 N ATOM 395 CA CYS A 27 0.757 1.934 2.532 1.00 0.00 C ATOM 396 C CYS A 27 2.275 1.895 2.668 1.00 0.00 C ATOM 397 O CYS A 27 2.978 1.423 1.774 1.00 0.00 O ATOM 398 CB CYS A 27 0.303 3.342 2.143 1.00 0.00 C ATOM 399 SG CYS A 27 -1.392 3.426 1.521 1.00 0.00 S ATOM 0 H CYS A 27 -0.697 2.083 4.036 1.00 0.00 H new ATOM 0 HA CYS A 27 0.463 1.236 1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.392 3.994 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.978 3.732 1.381 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.144 4.031 2.392 1.00 0.00 H new ATOM 405 N LYS A 28 2.777 2.396 3.792 1.00 0.00 N ATOM 406 CA LYS A 28 4.213 2.420 4.046 1.00 0.00 C ATOM 407 C LYS A 28 4.832 1.048 3.798 1.00 0.00 C ATOM 408 O LYS A 28 5.868 0.932 3.143 1.00 0.00 O ATOM 409 CB LYS A 28 4.490 2.864 5.484 1.00 0.00 C ATOM 410 CG LYS A 28 5.848 3.517 5.668 1.00 0.00 C ATOM 411 CD LYS A 28 6.174 3.724 7.137 1.00 0.00 C ATOM 412 CE LYS A 28 5.574 5.019 7.664 1.00 0.00 C ATOM 413 NZ LYS A 28 4.175 4.831 8.138 1.00 0.00 N ATOM 0 H LYS A 28 2.210 2.791 4.542 1.00 0.00 H new ATOM 0 HA LYS A 28 4.667 3.134 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.715 3.564 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.420 1.998 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.617 2.896 5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.864 4.477 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.794 2.883 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.255 3.741 7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.187 5.396 8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.593 5.774 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.964 5.526 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.518 4.965 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.064 3.870 8.520 1.00 0.00 H new ATOM 427 N LYS A 29 4.190 0.011 4.324 1.00 0.00 N ATOM 428 CA LYS A 29 4.675 -1.354 4.158 1.00 0.00 C ATOM 429 C LYS A 29 4.759 -1.726 2.681 1.00 0.00 C ATOM 430 O LYS A 29 5.806 -2.156 2.199 1.00 0.00 O ATOM 431 CB LYS A 29 3.758 -2.336 4.891 1.00 0.00 C ATOM 432 CG LYS A 29 4.463 -3.600 5.352 1.00 0.00 C ATOM 433 CD LYS A 29 3.498 -4.568 6.014 1.00 0.00 C ATOM 434 CE LYS A 29 3.260 -4.208 7.472 1.00 0.00 C ATOM 435 NZ LYS A 29 2.350 -5.178 8.142 1.00 0.00 N ATOM 0 H LYS A 29 3.332 0.090 4.869 1.00 0.00 H new ATOM 0 HA LYS A 29 5.676 -1.412 4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.323 -1.837 5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.933 -2.610 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.937 -4.085 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.256 -3.340 6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.549 -4.562 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.895 -5.581 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.213 -4.181 8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.833 -3.207 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.213 -4.897 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.431 -5.186 7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.769 -6.129 8.106 1.00 0.00 H new ATOM 449 N ALA A 30 3.650 -1.556 1.969 1.00 0.00 N ATOM 450 CA ALA A 30 3.600 -1.871 0.547 1.00 0.00 C ATOM 451 C ALA A 30 4.636 -1.066 -0.230 1.00 0.00 C ATOM 452 O ALA A 30 5.191 -1.542 -1.221 1.00 0.00 O ATOM 453 CB ALA A 30 2.205 -1.610 -0.003 1.00 0.00 C ATOM 0 H ALA A 30 2.774 -1.202 2.354 1.00 0.00 H new ATOM 0 HA ALA A 30 3.834 -2.929 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.182 -1.850 -1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.483 -2.233 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.949 -0.560 0.138 1.00 0.00 H new ATOM 459 N LEU A 31 4.892 0.156 0.225 1.00 0.00 N ATOM 460 CA LEU A 31 5.862 1.028 -0.428 1.00 0.00 C ATOM 461 C LEU A 31 7.284 0.520 -0.212 1.00 0.00 C ATOM 462 O LEU A 31 8.132 0.628 -1.096 1.00 0.00 O ATOM 463 CB LEU A 31 5.732 2.456 0.104 1.00 0.00 C ATOM 464 CG LEU A 31 4.586 3.287 -0.475 1.00 0.00 C ATOM 465 CD1 LEU A 31 4.365 4.542 0.354 1.00 0.00 C ATOM 466 CD2 LEU A 31 4.869 3.647 -1.927 1.00 0.00 C ATOM 0 H LEU A 31 4.441 0.565 1.043 1.00 0.00 H new ATOM 0 HA LEU A 31 5.654 1.025 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.610 2.409 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.668 2.981 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 31 3.675 2.689 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.546 5.121 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.117 4.263 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.274 5.144 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.043 4.238 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.791 4.226 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.976 2.735 -2.514 1.00 0.00 H new ATOM 478 N GLU A 32 7.535 -0.036 0.969 1.00 0.00 N ATOM 479 CA GLU A 32 8.854 -0.562 1.300 1.00 0.00 C ATOM 480 C GLU A 32 9.083 -1.916 0.633 1.00 0.00 C ATOM 481 O GLU A 32 10.164 -2.189 0.111 1.00 0.00 O ATOM 482 CB GLU A 32 9.008 -0.696 2.817 1.00 0.00 C ATOM 483 CG GLU A 32 9.193 0.634 3.529 1.00 0.00 C ATOM 484 CD GLU A 32 10.587 1.202 3.352 1.00 0.00 C ATOM 485 OE1 GLU A 32 10.944 1.557 2.209 1.00 0.00 O ATOM 486 OE2 GLU A 32 11.322 1.292 4.358 1.00 0.00 O ATOM 0 H GLU A 32 6.843 -0.134 1.712 1.00 0.00 H new ATOM 0 HA GLU A 32 9.601 0.139 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.127 -1.195 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.864 -1.336 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.463 1.349 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.990 0.504 4.592 1.00 0.00 H new ATOM 493 N THR A 33 8.057 -2.761 0.656 1.00 0.00 N ATOM 494 CA THR A 33 8.145 -4.086 0.056 1.00 0.00 C ATOM 495 C THR A 33 8.326 -3.995 -1.455 1.00 0.00 C ATOM 496 O THR A 33 8.992 -4.835 -2.061 1.00 0.00 O ATOM 497 CB THR A 33 6.890 -4.926 0.361 1.00 0.00 C ATOM 498 OG1 THR A 33 6.727 -5.065 1.777 1.00 0.00 O ATOM 499 CG2 THR A 33 6.990 -6.301 -0.281 1.00 0.00 C ATOM 0 H THR A 33 7.155 -2.551 1.084 1.00 0.00 H new ATOM 0 HA THR A 33 9.015 -4.574 0.495 1.00 0.00 H new ATOM 0 HB THR A 33 6.024 -4.411 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.438 -4.210 2.159 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.093 -6.876 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.085 -6.192 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.864 -6.822 0.109 1.00 0.00 H new ATOM 507 N CYS A 34 7.731 -2.971 -2.056 1.00 0.00 N ATOM 508 CA CYS A 34 7.827 -2.771 -3.498 1.00 0.00 C ATOM 509 C CYS A 34 9.016 -1.881 -3.845 1.00 0.00 C ATOM 510 O CYS A 34 9.789 -2.187 -4.752 1.00 0.00 O ATOM 511 CB CYS A 34 6.536 -2.150 -4.035 1.00 0.00 C ATOM 512 SG CYS A 34 6.288 -0.427 -3.547 1.00 0.00 S ATOM 0 H CYS A 34 7.177 -2.267 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 34 7.975 -3.744 -3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.541 -2.211 -5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.689 -2.741 -3.687 1.00 0.00 H new ATOM 0 HG CYS A 34 5.561 -0.381 -2.470 1.00 0.00 H new ATOM 518 N GLY A 35 9.155 -0.776 -3.118 1.00 0.00 N ATOM 519 CA GLY A 35 10.251 0.142 -3.365 1.00 0.00 C ATOM 520 C GLY A 35 9.786 1.445 -3.984 1.00 0.00 C ATOM 521 O GLY A 35 10.252 1.832 -5.055 1.00 0.00 O ATOM 0 H GLY A 35 8.528 -0.501 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.764 0.352 -2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.977 -0.332 -4.026 1.00 0.00 H new ATOM 525 N GLY A 36 8.864 2.124 -3.309 1.00 0.00 N ATOM 526 CA GLY A 36 8.350 3.383 -3.816 1.00 0.00 C ATOM 527 C GLY A 36 7.767 3.253 -5.208 1.00 0.00 C ATOM 528 O GLY A 36 8.190 3.947 -6.134 1.00 0.00 O ATOM 0 H GLY A 36 8.464 1.825 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.583 3.758 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.152 4.121 -3.829 1.00 0.00 H new ATOM 532 N ASP A 37 6.794 2.361 -5.359 1.00 0.00 N ATOM 533 CA ASP A 37 6.151 2.141 -6.650 1.00 0.00 C ATOM 534 C ASP A 37 4.632 2.138 -6.507 1.00 0.00 C ATOM 535 O ASP A 37 4.018 1.088 -6.316 1.00 0.00 O ATOM 536 CB ASP A 37 6.621 0.820 -7.259 1.00 0.00 C ATOM 537 CG ASP A 37 7.851 0.988 -8.129 1.00 0.00 C ATOM 538 OD1 ASP A 37 7.827 1.854 -9.030 1.00 0.00 O ATOM 539 OD2 ASP A 37 8.838 0.256 -7.910 1.00 0.00 O ATOM 0 H ASP A 37 6.433 1.778 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 37 6.434 2.959 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.839 0.112 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.815 0.390 -7.854 1.00 0.00 H new ATOM 544 N LEU A 38 4.032 3.320 -6.601 1.00 0.00 N ATOM 545 CA LEU A 38 2.585 3.454 -6.481 1.00 0.00 C ATOM 546 C LEU A 38 1.874 2.242 -7.074 1.00 0.00 C ATOM 547 O LEU A 38 0.966 1.679 -6.461 1.00 0.00 O ATOM 548 CB LEU A 38 2.112 4.730 -7.181 1.00 0.00 C ATOM 549 CG LEU A 38 2.502 6.047 -6.511 1.00 0.00 C ATOM 550 CD1 LEU A 38 1.492 7.135 -6.844 1.00 0.00 C ATOM 551 CD2 LEU A 38 2.617 5.866 -5.005 1.00 0.00 C ATOM 0 H LEU A 38 4.525 4.199 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 38 2.337 3.514 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.508 4.731 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.026 4.695 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 38 3.475 6.353 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.786 8.065 -6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.460 7.284 -7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.505 6.837 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.895 6.814 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.659 5.536 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.379 5.118 -4.786 1.00 0.00 H new ATOM 563 N LYS A 39 2.295 1.842 -8.269 1.00 0.00 N ATOM 564 CA LYS A 39 1.703 0.694 -8.945 1.00 0.00 C ATOM 565 C LYS A 39 1.929 -0.585 -8.144 1.00 0.00 C ATOM 566 O LYS A 39 0.981 -1.198 -7.656 1.00 0.00 O ATOM 567 CB LYS A 39 2.293 0.541 -10.348 1.00 0.00 C ATOM 568 CG LYS A 39 1.333 -0.078 -11.348 1.00 0.00 C ATOM 569 CD LYS A 39 1.897 -0.043 -12.759 1.00 0.00 C ATOM 570 CE LYS A 39 1.275 -1.120 -13.635 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.152 -0.829 -13.944 1.00 0.00 N ATOM 0 H LYS A 39 3.045 2.297 -8.790 1.00 0.00 H new ATOM 0 HA LYS A 39 0.630 0.866 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.601 1.521 -10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.191 -0.074 -10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.126 -1.110 -11.064 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.384 0.457 -11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.715 0.937 -13.201 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.978 -0.181 -12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.838 -1.202 -14.565 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.348 -2.084 -13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.539 -1.586 -14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.695 -0.776 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.220 0.079 -14.447 1.00 0.00 H new ATOM 585 N GLN A 40 3.192 -0.980 -8.014 1.00 0.00 N ATOM 586 CA GLN A 40 3.542 -2.186 -7.272 1.00 0.00 C ATOM 587 C GLN A 40 3.143 -2.057 -5.806 1.00 0.00 C ATOM 588 O GLN A 40 3.222 -3.020 -5.044 1.00 0.00 O ATOM 589 CB GLN A 40 5.042 -2.460 -7.383 1.00 0.00 C ATOM 590 CG GLN A 40 5.430 -3.225 -8.638 1.00 0.00 C ATOM 591 CD GLN A 40 5.374 -4.728 -8.447 1.00 0.00 C ATOM 592 OE1 GLN A 40 6.159 -5.298 -7.688 1.00 0.00 O ATOM 593 NE2 GLN A 40 4.443 -5.378 -9.135 1.00 0.00 N ATOM 0 H GLN A 40 3.989 -0.483 -8.412 1.00 0.00 H new ATOM 0 HA GLN A 40 2.994 -3.022 -7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.578 -1.511 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.365 -3.025 -6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.763 -2.941 -9.452 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.438 -2.938 -8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.814 -4.865 -9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.357 -6.390 -9.046 1.00 0.00 H new ATOM 602 N ALA A 41 2.714 -0.861 -5.417 1.00 0.00 N ATOM 603 CA ALA A 41 2.302 -0.607 -4.042 1.00 0.00 C ATOM 604 C ALA A 41 0.788 -0.715 -3.894 1.00 0.00 C ATOM 605 O ALA A 41 0.287 -1.197 -2.879 1.00 0.00 O ATOM 606 CB ALA A 41 2.781 0.765 -3.592 1.00 0.00 C ATOM 0 H ALA A 41 2.643 -0.053 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 41 2.759 -1.366 -3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.466 0.941 -2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.869 0.808 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.352 1.530 -4.239 1.00 0.00 H new ATOM 612 N GLU A 42 0.065 -0.262 -4.914 1.00 0.00 N ATOM 613 CA GLU A 42 -1.393 -0.307 -4.896 1.00 0.00 C ATOM 614 C GLU A 42 -1.895 -1.740 -5.051 1.00 0.00 C ATOM 615 O GLU A 42 -2.888 -2.131 -4.436 1.00 0.00 O ATOM 616 CB GLU A 42 -1.966 0.569 -6.011 1.00 0.00 C ATOM 617 CG GLU A 42 -3.480 0.499 -6.122 1.00 0.00 C ATOM 618 CD GLU A 42 -3.981 0.874 -7.503 1.00 0.00 C ATOM 619 OE1 GLU A 42 -4.119 2.085 -7.775 1.00 0.00 O ATOM 620 OE2 GLU A 42 -4.237 -0.043 -8.312 1.00 0.00 O ATOM 0 H GLU A 42 0.465 0.140 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.731 0.076 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.670 1.604 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.526 0.267 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.812 -0.511 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.926 1.166 -5.384 1.00 0.00 H new ATOM 627 N ILE A 43 -1.202 -2.517 -5.877 1.00 0.00 N ATOM 628 CA ILE A 43 -1.577 -3.906 -6.112 1.00 0.00 C ATOM 629 C ILE A 43 -1.326 -4.761 -4.875 1.00 0.00 C ATOM 630 O ILE A 43 -2.117 -5.645 -4.548 1.00 0.00 O ATOM 631 CB ILE A 43 -0.803 -4.504 -7.301 1.00 0.00 C ATOM 632 CG1 ILE A 43 -1.037 -3.669 -8.562 1.00 0.00 C ATOM 633 CG2 ILE A 43 -1.218 -5.949 -7.531 1.00 0.00 C ATOM 634 CD1 ILE A 43 0.123 -3.702 -9.533 1.00 0.00 C ATOM 0 H ILE A 43 -0.379 -2.209 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.642 -3.910 -6.343 1.00 0.00 H new ATOM 0 HB ILE A 43 0.262 -4.486 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.933 -4.031 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.229 -2.636 -8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.662 -6.357 -8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.004 -6.536 -6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.286 -5.991 -7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.113 -3.089 -10.403 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.017 -3.312 -9.046 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.302 -4.729 -9.851 1.00 0.00 H new ATOM 646 N TRP A 44 -0.221 -4.489 -4.190 1.00 0.00 N ATOM 647 CA TRP A 44 0.134 -5.233 -2.986 1.00 0.00 C ATOM 648 C TRP A 44 -0.988 -5.169 -1.956 1.00 0.00 C ATOM 649 O TRP A 44 -1.689 -6.155 -1.725 1.00 0.00 O ATOM 650 CB TRP A 44 1.428 -4.682 -2.384 1.00 0.00 C ATOM 651 CG TRP A 44 1.980 -5.533 -1.281 1.00 0.00 C ATOM 652 CD1 TRP A 44 2.855 -6.574 -1.409 1.00 0.00 C ATOM 653 CD2 TRP A 44 1.691 -5.418 0.116 1.00 0.00 C ATOM 654 NE1 TRP A 44 3.128 -7.112 -0.175 1.00 0.00 N ATOM 655 CE2 TRP A 44 2.428 -6.420 0.778 1.00 0.00 C ATOM 656 CE3 TRP A 44 0.885 -4.564 0.874 1.00 0.00 C ATOM 657 CZ2 TRP A 44 2.379 -6.591 2.158 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.837 -4.735 2.244 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.581 -5.741 2.875 1.00 0.00 C ATOM 0 H TRP A 44 0.444 -3.760 -4.447 1.00 0.00 H new ATOM 0 HA TRP A 44 0.287 -6.276 -3.265 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.176 -4.590 -3.171 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.243 -3.678 -2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.271 -6.923 -2.343 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.751 -7.900 0.003 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.310 -3.784 0.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.950 -7.367 2.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.215 -4.082 2.839 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.524 -5.848 3.948 1.00 0.00 H new ATOM 670 N LEU A 45 -1.154 -4.004 -1.340 1.00 0.00 N ATOM 671 CA LEU A 45 -2.193 -3.811 -0.334 1.00 0.00 C ATOM 672 C LEU A 45 -3.451 -4.594 -0.694 1.00 0.00 C ATOM 673 O LEU A 45 -3.922 -5.425 0.083 1.00 0.00 O ATOM 674 CB LEU A 45 -2.526 -2.324 -0.194 1.00 0.00 C ATOM 675 CG LEU A 45 -1.555 -1.496 0.648 1.00 0.00 C ATOM 676 CD1 LEU A 45 -1.819 -0.010 0.460 1.00 0.00 C ATOM 677 CD2 LEU A 45 -1.664 -1.877 2.117 1.00 0.00 C ATOM 0 H LEU A 45 -0.582 -3.178 -1.519 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.816 -4.183 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.574 -1.887 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.521 -2.234 0.242 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.540 -1.709 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.118 0.564 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.689 0.253 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.839 0.220 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.966 -1.278 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.680 -1.693 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.424 -2.933 2.238 1.00 0.00 H new ATOM 689 N HIS A 46 -3.992 -4.324 -1.878 1.00 0.00 N ATOM 690 CA HIS A 46 -5.195 -5.006 -2.343 1.00 0.00 C ATOM 691 C HIS A 46 -5.034 -6.520 -2.244 1.00 0.00 C ATOM 692 O HIS A 46 -5.907 -7.215 -1.724 1.00 0.00 O ATOM 693 CB HIS A 46 -5.507 -4.607 -3.786 1.00 0.00 C ATOM 694 CG HIS A 46 -5.853 -3.159 -3.946 1.00 0.00 C ATOM 695 ND1 HIS A 46 -6.535 -2.438 -2.988 1.00 0.00 N ATOM 696 CD2 HIS A 46 -5.606 -2.296 -4.959 1.00 0.00 C ATOM 697 CE1 HIS A 46 -6.694 -1.195 -3.407 1.00 0.00 C ATOM 698 NE2 HIS A 46 -6.138 -1.083 -4.600 1.00 0.00 N ATOM 0 H HIS A 46 -3.617 -3.638 -2.533 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.024 -4.704 -1.703 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.645 -4.837 -4.412 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.337 -5.213 -4.150 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.087 -2.520 -5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.194 -0.405 -2.866 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.109 -0.233 -5.163 1.00 0.00 H new ATOM 707 N LYS A 47 -3.913 -7.025 -2.747 1.00 0.00 N ATOM 708 CA LYS A 47 -3.636 -8.456 -2.716 1.00 0.00 C ATOM 709 C LYS A 47 -3.637 -8.979 -1.283 1.00 0.00 C ATOM 710 O LYS A 47 -4.371 -9.911 -0.954 1.00 0.00 O ATOM 711 CB LYS A 47 -2.288 -8.750 -3.377 1.00 0.00 C ATOM 712 CG LYS A 47 -2.386 -9.012 -4.870 1.00 0.00 C ATOM 713 CD LYS A 47 -1.027 -8.921 -5.542 1.00 0.00 C ATOM 714 CE LYS A 47 -0.291 -10.252 -5.494 1.00 0.00 C ATOM 715 NZ LYS A 47 0.292 -10.514 -4.149 1.00 0.00 N ATOM 0 H LYS A 47 -3.181 -6.464 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.424 -8.966 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.619 -7.907 -3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.837 -9.617 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.811 -10.001 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.066 -8.291 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.153 -8.611 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.428 -8.155 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.978 -11.057 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.503 -10.255 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.187 -11.033 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.470 -9.610 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.374 -11.082 -3.587 1.00 0.00 H new ATOM 729 N GLU A 48 -2.812 -8.372 -0.436 1.00 0.00 N ATOM 730 CA GLU A 48 -2.719 -8.778 0.962 1.00 0.00 C ATOM 731 C GLU A 48 -4.105 -8.864 1.596 1.00 0.00 C ATOM 732 O GLU A 48 -4.408 -9.808 2.324 1.00 0.00 O ATOM 733 CB GLU A 48 -1.848 -7.793 1.745 1.00 0.00 C ATOM 734 CG GLU A 48 -0.375 -8.163 1.760 1.00 0.00 C ATOM 735 CD GLU A 48 -0.143 -9.622 2.105 1.00 0.00 C ATOM 736 OE1 GLU A 48 -0.366 -9.997 3.275 1.00 0.00 O ATOM 737 OE2 GLU A 48 0.262 -10.388 1.205 1.00 0.00 O ATOM 0 H GLU A 48 -2.199 -7.598 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.260 -9.766 0.998 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.960 -6.799 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.210 -7.737 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.059 -7.951 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.146 -7.535 2.483 1.00 0.00 H new ATOM 744 N ALA A 49 -4.941 -7.870 1.315 1.00 0.00 N ATOM 745 CA ALA A 49 -6.294 -7.833 1.856 1.00 0.00 C ATOM 746 C ALA A 49 -7.079 -9.078 1.456 1.00 0.00 C ATOM 747 O ALA A 49 -7.713 -9.718 2.295 1.00 0.00 O ATOM 748 CB ALA A 49 -7.016 -6.578 1.387 1.00 0.00 C ATOM 0 H ALA A 49 -4.705 -7.079 0.716 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.224 -7.813 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.025 -6.564 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.472 -5.697 1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.068 -6.574 0.298 1.00 0.00 H new ATOM 754 N GLN A 50 -7.031 -9.415 0.171 1.00 0.00 N ATOM 755 CA GLN A 50 -7.740 -10.583 -0.338 1.00 0.00 C ATOM 756 C GLN A 50 -7.388 -11.828 0.469 1.00 0.00 C ATOM 757 O GLN A 50 -8.261 -12.625 0.813 1.00 0.00 O ATOM 758 CB GLN A 50 -7.404 -10.805 -1.814 1.00 0.00 C ATOM 759 CG GLN A 50 -8.530 -11.454 -2.603 1.00 0.00 C ATOM 760 CD GLN A 50 -8.454 -12.968 -2.591 1.00 0.00 C ATOM 761 OE1 GLN A 50 -7.373 -13.548 -2.705 1.00 0.00 O ATOM 762 NE2 GLN A 50 -9.603 -13.618 -2.453 1.00 0.00 N ATOM 0 H GLN A 50 -6.509 -8.896 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.810 -10.400 -0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.157 -9.846 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.514 -11.430 -1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.488 -11.139 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.497 -11.101 -3.634 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.476 -13.098 -2.362 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.613 -14.638 -2.438 1.00 0.00 H new ATOM 771 N LYS A 51 -6.104 -11.989 0.769 1.00 0.00 N ATOM 772 CA LYS A 51 -5.635 -13.137 1.536 1.00 0.00 C ATOM 773 C LYS A 51 -5.989 -12.985 3.012 1.00 0.00 C ATOM 774 O LYS A 51 -6.769 -13.767 3.556 1.00 0.00 O ATOM 775 CB LYS A 51 -4.122 -13.299 1.378 1.00 0.00 C ATOM 776 CG LYS A 51 -3.694 -13.670 -0.032 1.00 0.00 C ATOM 777 CD LYS A 51 -2.274 -13.213 -0.322 1.00 0.00 C ATOM 778 CE LYS A 51 -1.251 -14.091 0.383 1.00 0.00 C ATOM 779 NZ LYS A 51 0.051 -14.113 -0.338 1.00 0.00 N ATOM 0 H LYS A 51 -5.369 -11.338 0.492 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.131 -14.028 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.633 -12.367 1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.773 -14.067 2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.763 -14.750 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.377 -13.218 -0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.096 -13.236 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.151 -12.179 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.098 -13.726 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.638 -15.107 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.721 -14.722 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.091 -14.485 -1.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.434 -13.147 -0.393 1.00 0.00 H new ATOM 793 N GLU A 52 -5.411 -11.975 3.654 1.00 0.00 N ATOM 794 CA GLU A 52 -5.668 -11.722 5.067 1.00 0.00 C ATOM 795 C GLU A 52 -7.165 -11.613 5.337 1.00 0.00 C ATOM 796 O GLU A 52 -7.729 -12.400 6.097 1.00 0.00 O ATOM 797 CB GLU A 52 -4.963 -10.439 5.514 1.00 0.00 C ATOM 798 CG GLU A 52 -3.451 -10.494 5.373 1.00 0.00 C ATOM 799 CD GLU A 52 -2.786 -11.239 6.514 1.00 0.00 C ATOM 800 OE1 GLU A 52 -3.288 -11.150 7.654 1.00 0.00 O ATOM 801 OE2 GLU A 52 -1.763 -11.911 6.266 1.00 0.00 O ATOM 0 H GLU A 52 -4.762 -11.319 3.219 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.274 -12.563 5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.344 -9.602 4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.215 -10.240 6.556 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.195 -10.977 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.057 -9.479 5.328 1.00 0.00 H new ATOM 808 N GLY A 53 -7.805 -10.631 4.709 1.00 0.00 N ATOM 809 CA GLY A 53 -9.231 -10.436 4.895 1.00 0.00 C ATOM 810 C GLY A 53 -9.544 -9.225 5.752 1.00 0.00 C ATOM 811 O GLY A 53 -10.367 -9.299 6.664 1.00 0.00 O ATOM 0 H GLY A 53 -7.361 -9.967 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.709 -10.322 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.659 -11.325 5.358 1.00 0.00 H new ATOM 815 N TRP A 54 -8.885 -8.110 5.460 1.00 0.00 N ATOM 816 CA TRP A 54 -9.097 -6.878 6.212 1.00 0.00 C ATOM 817 C TRP A 54 -10.528 -6.378 6.046 1.00 0.00 C ATOM 818 O TRP A 54 -11.242 -6.177 7.028 1.00 0.00 O ATOM 819 CB TRP A 54 -8.111 -5.802 5.755 1.00 0.00 C ATOM 820 CG TRP A 54 -6.681 -6.247 5.803 1.00 0.00 C ATOM 821 CD1 TRP A 54 -6.108 -7.065 6.734 1.00 0.00 C ATOM 822 CD2 TRP A 54 -5.643 -5.896 4.881 1.00 0.00 C ATOM 823 NE1 TRP A 54 -4.776 -7.244 6.447 1.00 0.00 N ATOM 824 CE2 TRP A 54 -4.466 -6.538 5.315 1.00 0.00 C ATOM 825 CE3 TRP A 54 -5.593 -5.104 3.731 1.00 0.00 C ATOM 826 CZ2 TRP A 54 -3.256 -6.410 4.638 1.00 0.00 C ATOM 827 CZ3 TRP A 54 -4.391 -4.977 3.061 1.00 0.00 C ATOM 828 CH2 TRP A 54 -3.236 -5.628 3.516 1.00 0.00 C ATOM 0 H TRP A 54 -8.200 -8.033 4.708 1.00 0.00 H new ATOM 0 HA TRP A 54 -8.927 -7.092 7.267 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.357 -5.503 4.736 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.231 -4.919 6.383 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.626 -7.507 7.573 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.124 -7.811 6.989 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.478 -4.600 3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.365 -6.911 4.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.341 -4.366 2.172 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.312 -5.510 2.970 1.00 0.00 H new ATOM 839 N SER A 55 -10.940 -6.179 4.798 1.00 0.00 N ATOM 840 CA SER A 55 -12.285 -5.699 4.505 1.00 0.00 C ATOM 841 C SER A 55 -13.135 -6.806 3.890 1.00 0.00 C ATOM 842 O SER A 55 -12.630 -7.661 3.161 1.00 0.00 O ATOM 843 CB SER A 55 -12.226 -4.499 3.558 1.00 0.00 C ATOM 844 OG SER A 55 -13.528 -4.079 3.186 1.00 0.00 O ATOM 0 H SER A 55 -10.362 -6.343 3.974 1.00 0.00 H new ATOM 0 HA SER A 55 -12.746 -5.390 5.443 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.699 -3.676 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.657 -4.763 2.667 1.00 0.00 H new ATOM 0 HG SER A 55 -13.464 -3.310 2.582 1.00 0.00 H new ATOM 850 N LYS A 56 -14.430 -6.785 4.187 1.00 0.00 N ATOM 851 CA LYS A 56 -15.353 -7.785 3.664 1.00 0.00 C ATOM 852 C LYS A 56 -15.314 -7.815 2.139 1.00 0.00 C ATOM 853 O LYS A 56 -15.008 -8.844 1.537 1.00 0.00 O ATOM 854 CB LYS A 56 -16.777 -7.495 4.143 1.00 0.00 C ATOM 855 CG LYS A 56 -17.636 -8.739 4.285 1.00 0.00 C ATOM 856 CD LYS A 56 -18.328 -9.092 2.979 1.00 0.00 C ATOM 857 CE LYS A 56 -19.020 -10.443 3.062 1.00 0.00 C ATOM 858 NZ LYS A 56 -18.044 -11.559 3.207 1.00 0.00 N ATOM 0 H LYS A 56 -14.864 -6.085 4.788 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.043 -8.761 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.731 -6.984 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.255 -6.812 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.016 -9.576 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -18.383 -8.579 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -19.059 -8.322 2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.597 -9.106 2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.706 -10.448 3.909 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.620 -10.599 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.509 -12.459 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.243 -11.406 2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.697 -11.592 4.187 1.00 0.00 H new ATOM 872 N ALA A 57 -15.625 -6.680 1.521 1.00 0.00 N ATOM 873 CA ALA A 57 -15.623 -6.577 0.067 1.00 0.00 C ATOM 874 C ALA A 57 -14.496 -7.406 -0.540 1.00 0.00 C ATOM 875 O ALA A 57 -13.432 -7.558 0.060 1.00 0.00 O ATOM 876 CB ALA A 57 -15.498 -5.121 -0.358 1.00 0.00 C ATOM 0 H ALA A 57 -15.881 -5.819 2.005 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.569 -6.972 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.498 -5.058 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.340 -4.553 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.567 -4.708 0.029 1.00 0.00 H new ATOM 882 N ALA A 58 -14.737 -7.940 -1.733 1.00 0.00 N ATOM 883 CA ALA A 58 -13.742 -8.752 -2.422 1.00 0.00 C ATOM 884 C ALA A 58 -12.694 -7.877 -3.102 1.00 0.00 C ATOM 885 O ALA A 58 -13.024 -7.019 -3.920 1.00 0.00 O ATOM 886 CB ALA A 58 -14.415 -9.660 -3.440 1.00 0.00 C ATOM 0 H ALA A 58 -15.613 -7.825 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.236 -9.369 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.660 -10.261 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.120 -10.317 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.948 -9.054 -4.172 1.00 0.00 H new ATOM 892 N SER A 59 -11.430 -8.100 -2.757 1.00 0.00 N ATOM 893 CA SER A 59 -10.334 -7.328 -3.331 1.00 0.00 C ATOM 894 C SER A 59 -10.181 -7.626 -4.819 1.00 0.00 C ATOM 895 O SER A 59 -10.291 -6.732 -5.657 1.00 0.00 O ATOM 896 CB SER A 59 -9.026 -7.639 -2.600 1.00 0.00 C ATOM 897 OG SER A 59 -9.012 -7.056 -1.308 1.00 0.00 O ATOM 0 H SER A 59 -11.140 -8.809 -2.083 1.00 0.00 H new ATOM 0 HA SER A 59 -10.566 -6.270 -3.212 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.900 -8.719 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.183 -7.264 -3.181 1.00 0.00 H new ATOM 0 HG SER A 59 -8.758 -7.733 -0.646 1.00 0.00 H new ATOM 903 N GLY A 60 -9.926 -8.891 -5.141 1.00 0.00 N ATOM 904 CA GLY A 60 -9.762 -9.285 -6.527 1.00 0.00 C ATOM 905 C GLY A 60 -8.665 -10.315 -6.711 1.00 0.00 C ATOM 906 O GLY A 60 -7.528 -9.988 -7.051 1.00 0.00 O ATOM 0 H GLY A 60 -9.830 -9.650 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.703 -9.690 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.534 -8.404 -7.127 1.00 0.00 H new ATOM 910 N PRO A 61 -9.004 -11.593 -6.482 1.00 0.00 N ATOM 911 CA PRO A 61 -8.053 -12.700 -6.618 1.00 0.00 C ATOM 912 C PRO A 61 -7.668 -12.960 -8.070 1.00 0.00 C ATOM 913 O PRO A 61 -8.509 -13.333 -8.888 1.00 0.00 O ATOM 914 CB PRO A 61 -8.817 -13.896 -6.044 1.00 0.00 C ATOM 915 CG PRO A 61 -10.254 -13.548 -6.224 1.00 0.00 C ATOM 916 CD PRO A 61 -10.341 -12.055 -6.074 1.00 0.00 C ATOM 0 HA PRO A 61 -7.112 -12.493 -6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.564 -14.817 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.576 -14.052 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.612 -13.863 -7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.873 -14.051 -5.482 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.122 -11.632 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.570 -11.767 -5.048 1.00 0.00 H new ATOM 924 N SER A 62 -6.392 -12.761 -8.384 1.00 0.00 N ATOM 925 CA SER A 62 -5.897 -12.971 -9.740 1.00 0.00 C ATOM 926 C SER A 62 -4.829 -14.060 -9.766 1.00 0.00 C ATOM 927 O SER A 62 -4.196 -14.348 -8.750 1.00 0.00 O ATOM 928 CB SER A 62 -5.326 -11.668 -10.304 1.00 0.00 C ATOM 929 OG SER A 62 -6.363 -10.786 -10.700 1.00 0.00 O ATOM 0 H SER A 62 -5.682 -12.455 -7.718 1.00 0.00 H new ATOM 0 HA SER A 62 -6.734 -13.292 -10.360 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.701 -11.186 -9.552 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.685 -11.888 -11.158 1.00 0.00 H new ATOM 0 HG SER A 62 -5.972 -9.960 -11.055 1.00 0.00 H new ATOM 935 N SER A 63 -4.636 -14.662 -10.935 1.00 0.00 N ATOM 936 CA SER A 63 -3.648 -15.723 -11.094 1.00 0.00 C ATOM 937 C SER A 63 -2.323 -15.160 -11.598 1.00 0.00 C ATOM 938 O SER A 63 -2.278 -14.082 -12.189 1.00 0.00 O ATOM 939 CB SER A 63 -4.164 -16.789 -12.062 1.00 0.00 C ATOM 940 OG SER A 63 -5.409 -17.311 -11.631 1.00 0.00 O ATOM 0 H SER A 63 -5.150 -14.433 -11.786 1.00 0.00 H new ATOM 0 HA SER A 63 -3.481 -16.179 -10.118 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.272 -16.359 -13.058 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.436 -17.596 -12.141 1.00 0.00 H new ATOM 0 HG SER A 63 -5.718 -17.989 -12.268 1.00 0.00 H new ATOM 946 N GLY A 64 -1.244 -15.900 -11.359 1.00 0.00 N ATOM 947 CA GLY A 64 0.069 -15.459 -11.795 1.00 0.00 C ATOM 948 C GLY A 64 0.323 -13.998 -11.484 1.00 0.00 C ATOM 949 O GLY A 64 0.916 -13.669 -10.457 1.00 0.00 O ATOM 0 H GLY A 64 -1.255 -16.796 -10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.833 -16.068 -11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.165 -15.621 -12.869 1.00 0.00 H new TER 953 GLY A 64