USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 40 ASN : amide:sc= 1.86 K(o=2.8,f=0.77) USER MOD Set 1.2: A 43 SER OG : rot -170:sc= 0.963 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0.131 USER MOD Set 2.2: A 27 GLN : amide:sc= -0.514 K(o=-0.38,f=-6.5!) USER MOD Set 3.1: A 11 GLN : amide:sc= 0.623 K(o=0.71,f=-1.6) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -178:sc= 0.0918 (180deg=-0.69) USER MOD Single : A 15 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.115) USER MOD Single : A 18 GLN : amide:sc= -0.0714 X(o=-0.071,f=-0.071) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 168:sc= -1.58 (180deg=-2.08) USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0125) USER MOD Single : A 38 TYR OH : rot 60:sc= 1.04 USER MOD Single : A 44 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.7) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 46 THR OG1 : rot 150:sc= 1.95 USER MOD Single : A 48 SER OG : rot 71:sc= 0.893 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 56 SER OG : rot 180:sc= 0.117 USER MOD Single : A 58 LYS NZ :NH3+ -170:sc=-0.00594 (180deg=-0.0971) USER MOD Single : A 59 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.6!) USER MOD Single : A 60 MET CE :methyl -167:sc= -2.68 (180deg=-3.42) USER MOD Single : A 61 CYS SG : rot -4:sc= 0.169 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0.572 (180deg=0.563) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0143) USER MOD Single : A 72 ASN : amide:sc= -0.253! X(o=-0.25!,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 4.076 4.845 -2.400 1.00 0.00 N ATOM 2 CA ASP A 5 3.545 5.439 -1.188 1.00 0.00 C ATOM 3 C ASP A 5 4.704 5.877 -0.291 1.00 0.00 C ATOM 4 O ASP A 5 5.803 5.329 -0.376 1.00 0.00 O ATOM 5 CB ASP A 5 2.623 4.441 -0.475 1.00 0.00 C ATOM 6 CG ASP A 5 2.155 4.982 0.870 1.00 0.00 C ATOM 7 OD1 ASP A 5 1.192 5.778 0.861 1.00 0.00 O ATOM 8 OD2 ASP A 5 2.812 4.643 1.879 1.00 0.00 O ATOM 0 HA ASP A 5 2.950 6.319 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.759 4.228 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.150 3.498 -0.327 1.00 0.00 H new ATOM 15 N LEU A 6 4.459 6.870 0.566 1.00 0.00 N ATOM 16 CA LEU A 6 5.473 7.424 1.446 1.00 0.00 C ATOM 17 C LEU A 6 6.161 6.332 2.266 1.00 0.00 C ATOM 18 O LEU A 6 7.376 6.375 2.427 1.00 0.00 O ATOM 19 CB LEU A 6 4.882 8.514 2.348 1.00 0.00 C ATOM 20 CG LEU A 6 4.704 9.851 1.609 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.471 9.858 0.695 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.557 10.982 2.635 1.00 0.00 C ATOM 0 H LEU A 6 3.544 7.310 0.665 1.00 0.00 H new ATOM 0 HA LEU A 6 6.236 7.887 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.917 8.182 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.533 8.662 3.210 1.00 0.00 H new ATOM 0 HG LEU A 6 5.586 9.995 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.392 10.825 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.568 9.072 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.575 9.683 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.431 11.931 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.686 10.793 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.450 11.026 3.258 1.00 0.00 H new ATOM 34 N GLU A 7 5.406 5.350 2.768 1.00 0.00 N ATOM 35 CA GLU A 7 5.962 4.269 3.570 1.00 0.00 C ATOM 36 C GLU A 7 7.058 3.544 2.775 1.00 0.00 C ATOM 37 O GLU A 7 8.205 3.468 3.215 1.00 0.00 O ATOM 38 CB GLU A 7 4.824 3.337 4.026 1.00 0.00 C ATOM 39 CG GLU A 7 5.174 2.490 5.260 1.00 0.00 C ATOM 40 CD GLU A 7 6.248 1.433 5.015 1.00 0.00 C ATOM 41 OE1 GLU A 7 6.239 0.847 3.912 1.00 0.00 O ATOM 42 OE2 GLU A 7 7.053 1.221 5.947 1.00 0.00 O ATOM 0 H GLU A 7 4.398 5.287 2.628 1.00 0.00 H new ATOM 0 HA GLU A 7 6.437 4.659 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.942 3.937 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.559 2.672 3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.509 3.153 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.270 1.996 5.615 1.00 0.00 H new ATOM 49 N GLU A 8 6.709 3.031 1.590 1.00 0.00 N ATOM 50 CA GLU A 8 7.656 2.285 0.773 1.00 0.00 C ATOM 51 C GLU A 8 8.820 3.168 0.327 1.00 0.00 C ATOM 52 O GLU A 8 9.955 2.710 0.304 1.00 0.00 O ATOM 53 CB GLU A 8 6.971 1.572 -0.399 1.00 0.00 C ATOM 54 CG GLU A 8 6.155 2.476 -1.326 1.00 0.00 C ATOM 55 CD GLU A 8 5.595 1.694 -2.508 1.00 0.00 C ATOM 56 OE1 GLU A 8 4.590 0.984 -2.292 1.00 0.00 O ATOM 57 OE2 GLU A 8 6.191 1.815 -3.601 1.00 0.00 O ATOM 0 H GLU A 8 5.779 3.122 1.181 1.00 0.00 H new ATOM 0 HA GLU A 8 8.078 1.497 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.734 1.066 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.313 0.800 0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.337 2.930 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.783 3.289 -1.690 1.00 0.00 H new ATOM 64 N LEU A 9 8.555 4.430 -0.015 1.00 0.00 N ATOM 65 CA LEU A 9 9.603 5.402 -0.323 1.00 0.00 C ATOM 66 C LEU A 9 10.561 5.574 0.862 1.00 0.00 C ATOM 67 O LEU A 9 11.771 5.567 0.656 1.00 0.00 O ATOM 68 CB LEU A 9 8.961 6.739 -0.740 1.00 0.00 C ATOM 69 CG LEU A 9 8.204 6.643 -2.079 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.266 7.843 -2.239 1.00 0.00 C ATOM 71 CD2 LEU A 9 9.169 6.590 -3.265 1.00 0.00 C ATOM 0 H LEU A 9 7.609 4.806 -0.086 1.00 0.00 H new ATOM 0 HA LEU A 9 10.199 5.033 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.272 7.065 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.737 7.501 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 9 7.624 5.720 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.736 7.766 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.546 7.854 -1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.848 8.764 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.601 6.523 -4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.780 7.493 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.814 5.717 -3.170 1.00 0.00 H new ATOM 83 N GLU A 10 10.058 5.697 2.095 1.00 0.00 N ATOM 84 CA GLU A 10 10.876 5.833 3.286 1.00 0.00 C ATOM 85 C GLU A 10 11.720 4.563 3.458 1.00 0.00 C ATOM 86 O GLU A 10 12.943 4.632 3.575 1.00 0.00 O ATOM 87 CB GLU A 10 9.928 6.173 4.456 1.00 0.00 C ATOM 88 CG GLU A 10 10.230 5.537 5.808 1.00 0.00 C ATOM 89 CD GLU A 10 11.466 6.108 6.499 1.00 0.00 C ATOM 90 OE1 GLU A 10 12.359 6.598 5.777 1.00 0.00 O ATOM 91 OE2 GLU A 10 11.495 6.036 7.747 1.00 0.00 O ATOM 0 H GLU A 10 9.056 5.704 2.287 1.00 0.00 H new ATOM 0 HA GLU A 10 11.602 6.644 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.926 7.255 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.918 5.885 4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.367 5.669 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.365 4.464 5.672 1.00 0.00 H new ATOM 98 N GLN A 11 11.072 3.393 3.436 1.00 0.00 N ATOM 99 CA GLN A 11 11.764 2.115 3.558 1.00 0.00 C ATOM 100 C GLN A 11 12.864 2.009 2.502 1.00 0.00 C ATOM 101 O GLN A 11 14.022 1.769 2.832 1.00 0.00 O ATOM 102 CB GLN A 11 10.766 0.956 3.434 1.00 0.00 C ATOM 103 CG GLN A 11 9.829 0.876 4.646 1.00 0.00 C ATOM 104 CD GLN A 11 10.558 0.417 5.902 1.00 0.00 C ATOM 105 OE1 GLN A 11 10.925 1.222 6.752 1.00 0.00 O ATOM 106 NE2 GLN A 11 10.804 -0.884 6.025 1.00 0.00 N ATOM 0 H GLN A 11 10.061 3.310 3.334 1.00 0.00 H new ATOM 0 HA GLN A 11 12.230 2.056 4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.176 1.081 2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.311 0.017 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.382 1.854 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.013 0.187 4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.488 -1.533 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.308 -1.233 6.840 1.00 0.00 H new ATOM 115 N PHE A 12 12.504 2.206 1.236 1.00 0.00 N ATOM 116 CA PHE A 12 13.415 2.212 0.102 1.00 0.00 C ATOM 117 C PHE A 12 14.581 3.173 0.360 1.00 0.00 C ATOM 118 O PHE A 12 15.737 2.797 0.183 1.00 0.00 O ATOM 119 CB PHE A 12 12.630 2.554 -1.174 1.00 0.00 C ATOM 120 CG PHE A 12 13.486 2.769 -2.407 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.100 4.019 -2.590 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.700 1.740 -3.344 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.092 4.173 -3.578 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.565 1.953 -4.434 1.00 0.00 C ATOM 125 CZ PHE A 12 15.303 3.148 -4.518 1.00 0.00 C ATOM 0 H PHE A 12 11.535 2.371 0.966 1.00 0.00 H new ATOM 0 HA PHE A 12 13.855 1.224 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.923 1.750 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 12 12.045 3.455 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.812 4.859 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.201 0.789 -3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.687 5.073 -3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 12 14.662 1.201 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.032 3.278 -5.304 1.00 0.00 H new ATOM 135 N ALA A 13 14.295 4.407 0.785 1.00 0.00 N ATOM 136 CA ALA A 13 15.311 5.417 1.052 1.00 0.00 C ATOM 137 C ALA A 13 16.303 4.936 2.113 1.00 0.00 C ATOM 138 O ALA A 13 17.513 4.962 1.890 1.00 0.00 O ATOM 139 CB ALA A 13 14.651 6.735 1.460 1.00 0.00 C ATOM 0 H ALA A 13 13.343 4.731 0.953 1.00 0.00 H new ATOM 0 HA ALA A 13 15.877 5.589 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.420 7.482 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.005 7.083 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.056 6.581 2.360 1.00 0.00 H new ATOM 145 N LYS A 14 15.807 4.473 3.263 1.00 0.00 N ATOM 146 CA LYS A 14 16.665 3.897 4.294 1.00 0.00 C ATOM 147 C LYS A 14 17.462 2.724 3.717 1.00 0.00 C ATOM 148 O LYS A 14 18.675 2.621 3.887 1.00 0.00 O ATOM 149 CB LYS A 14 15.817 3.451 5.489 1.00 0.00 C ATOM 150 CG LYS A 14 15.219 4.665 6.208 1.00 0.00 C ATOM 151 CD LYS A 14 14.511 4.298 7.519 1.00 0.00 C ATOM 152 CE LYS A 14 13.292 3.386 7.323 1.00 0.00 C ATOM 153 NZ LYS A 14 13.637 1.954 7.339 1.00 0.00 N ATOM 0 H LYS A 14 14.815 4.487 3.501 1.00 0.00 H new ATOM 0 HA LYS A 14 17.372 4.652 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 14 15.018 2.792 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.430 2.876 6.183 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.012 5.382 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.510 5.160 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.222 3.803 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.194 5.213 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.564 3.588 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.813 3.628 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.781 1.389 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.336 1.757 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.038 1.704 8.265 1.00 0.00 H new ATOM 167 N THR A 15 16.783 1.852 2.978 1.00 0.00 N ATOM 168 CA THR A 15 17.423 0.706 2.344 1.00 0.00 C ATOM 169 C THR A 15 18.494 1.179 1.356 1.00 0.00 C ATOM 170 O THR A 15 19.510 0.514 1.188 1.00 0.00 O ATOM 171 CB THR A 15 16.386 -0.230 1.710 1.00 0.00 C ATOM 172 OG1 THR A 15 15.406 -0.570 2.669 1.00 0.00 O ATOM 173 CG2 THR A 15 17.008 -1.547 1.240 1.00 0.00 C ATOM 0 H THR A 15 15.780 1.919 2.803 1.00 0.00 H new ATOM 0 HA THR A 15 17.931 0.114 3.105 1.00 0.00 H new ATOM 0 HB THR A 15 15.964 0.303 0.858 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.814 0.197 2.818 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.236 -2.177 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.778 -1.341 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.454 -2.063 2.090 1.00 0.00 H new ATOM 181 N PHE A 16 18.312 2.341 0.722 1.00 0.00 N ATOM 182 CA PHE A 16 19.313 2.929 -0.153 1.00 0.00 C ATOM 183 C PHE A 16 20.598 3.252 0.621 1.00 0.00 C ATOM 184 O PHE A 16 21.687 3.180 0.054 1.00 0.00 O ATOM 185 CB PHE A 16 18.722 4.104 -0.956 1.00 0.00 C ATOM 186 CG PHE A 16 19.656 4.618 -2.027 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.893 3.831 -3.167 1.00 0.00 C ATOM 188 CD2 PHE A 16 20.383 5.806 -1.833 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.886 4.208 -4.087 1.00 0.00 C ATOM 190 CE2 PHE A 16 21.395 6.166 -2.737 1.00 0.00 C ATOM 191 CZ PHE A 16 21.657 5.360 -3.858 1.00 0.00 C ATOM 0 H PHE A 16 17.461 2.897 0.806 1.00 0.00 H new ATOM 0 HA PHE A 16 19.614 2.199 -0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.788 3.787 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.479 4.918 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 16 19.312 2.936 -3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 16 20.163 6.442 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.057 3.612 -4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.973 7.063 -2.571 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.449 5.626 -4.542 1.00 0.00 H new ATOM 201 N LYS A 17 20.508 3.544 1.926 1.00 0.00 N ATOM 202 CA LYS A 17 21.697 3.650 2.772 1.00 0.00 C ATOM 203 C LYS A 17 22.381 2.291 2.884 1.00 0.00 C ATOM 204 O LYS A 17 23.582 2.166 2.655 1.00 0.00 O ATOM 205 CB LYS A 17 21.352 4.235 4.152 1.00 0.00 C ATOM 206 CG LYS A 17 22.578 4.549 5.022 1.00 0.00 C ATOM 207 CD LYS A 17 23.409 5.718 4.473 1.00 0.00 C ATOM 208 CE LYS A 17 24.613 6.043 5.364 1.00 0.00 C ATOM 209 NZ LYS A 17 24.203 6.503 6.703 1.00 0.00 N ATOM 0 H LYS A 17 19.627 3.710 2.413 1.00 0.00 H new ATOM 0 HA LYS A 17 22.397 4.343 2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 17 20.774 5.149 4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 17 20.713 3.531 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 17 22.250 4.786 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 17 23.207 3.662 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 17 23.758 5.474 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 17 22.776 6.601 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 17 25.241 5.157 5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 17 25.220 6.813 4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 25.032 6.871 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 23.492 7.256 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.796 5.707 7.234 1.00 0.00 H new ATOM 223 N GLN A 18 21.616 1.254 3.222 1.00 0.00 N ATOM 224 CA GLN A 18 22.170 -0.087 3.354 1.00 0.00 C ATOM 225 C GLN A 18 22.816 -0.533 2.037 1.00 0.00 C ATOM 226 O GLN A 18 23.894 -1.121 2.035 1.00 0.00 O ATOM 227 CB GLN A 18 21.090 -1.069 3.829 1.00 0.00 C ATOM 228 CG GLN A 18 20.364 -0.587 5.097 1.00 0.00 C ATOM 229 CD GLN A 18 21.331 -0.181 6.205 1.00 0.00 C ATOM 230 OE1 GLN A 18 21.415 0.986 6.571 1.00 0.00 O ATOM 231 NE2 GLN A 18 22.086 -1.137 6.739 1.00 0.00 N ATOM 0 H GLN A 18 20.615 1.319 3.408 1.00 0.00 H new ATOM 0 HA GLN A 18 22.954 -0.075 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.361 -1.215 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.547 -2.039 4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 18 19.727 0.261 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.711 -1.380 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 18 21.995 -2.100 6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 18 22.756 -0.907 7.473 1.00 0.00 H new ATOM 240 N ARG A 19 22.173 -0.229 0.910 1.00 0.00 N ATOM 241 CA ARG A 19 22.686 -0.542 -0.413 1.00 0.00 C ATOM 242 C ARG A 19 23.945 0.279 -0.719 1.00 0.00 C ATOM 243 O ARG A 19 24.923 -0.284 -1.206 1.00 0.00 O ATOM 244 CB ARG A 19 21.574 -0.393 -1.457 1.00 0.00 C ATOM 245 CG ARG A 19 20.526 -1.500 -1.244 1.00 0.00 C ATOM 246 CD ARG A 19 19.291 -1.335 -2.135 1.00 0.00 C ATOM 247 NE ARG A 19 18.506 -0.150 -1.757 1.00 0.00 N ATOM 248 CZ ARG A 19 17.431 0.298 -2.422 1.00 0.00 C ATOM 249 NH1 ARG A 19 17.060 -0.291 -3.562 1.00 0.00 N ATOM 250 NH2 ARG A 19 16.714 1.326 -1.954 1.00 0.00 N ATOM 0 H ARG A 19 21.271 0.247 0.896 1.00 0.00 H new ATOM 0 HA ARG A 19 23.003 -1.584 -0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.107 0.588 -1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.991 -0.459 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.984 -2.469 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.216 -1.503 -0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.602 -1.250 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.666 -2.225 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 19 18.800 0.368 -0.929 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.594 -1.080 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.243 0.049 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.983 1.780 -1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.899 1.656 -2.470 1.00 0.00 H new ATOM 264 N ARG A 20 23.967 1.581 -0.401 1.00 0.00 N ATOM 265 CA ARG A 20 25.197 2.373 -0.453 1.00 0.00 C ATOM 266 C ARG A 20 26.321 1.639 0.284 1.00 0.00 C ATOM 267 O ARG A 20 27.372 1.381 -0.301 1.00 0.00 O ATOM 268 CB ARG A 20 24.996 3.767 0.164 1.00 0.00 C ATOM 269 CG ARG A 20 24.603 4.831 -0.864 1.00 0.00 C ATOM 270 CD ARG A 20 24.176 6.109 -0.129 1.00 0.00 C ATOM 271 NE ARG A 20 22.811 5.970 0.394 1.00 0.00 N ATOM 272 CZ ARG A 20 22.228 6.783 1.285 1.00 0.00 C ATOM 273 NH1 ARG A 20 22.917 7.753 1.894 1.00 0.00 N ATOM 274 NH2 ARG A 20 20.939 6.616 1.591 1.00 0.00 N ATOM 0 H ARG A 20 23.144 2.106 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 20 25.468 2.503 -1.501 1.00 0.00 H new ATOM 0 HB2 ARG A 20 24.224 3.710 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 25.917 4.074 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 20 25.443 5.041 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.787 4.467 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.866 6.313 0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.227 6.960 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 20 22.258 5.186 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.906 7.885 1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.454 8.361 2.569 1.00 0.00 H new ATOM 0 HH21 ARG A 20 20.402 5.871 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.492 7.233 2.269 1.00 0.00 H new ATOM 288 N ILE A 21 26.092 1.292 1.555 1.00 0.00 N ATOM 289 CA ILE A 21 27.076 0.576 2.360 1.00 0.00 C ATOM 290 C ILE A 21 27.506 -0.711 1.644 1.00 0.00 C ATOM 291 O ILE A 21 28.701 -0.943 1.471 1.00 0.00 O ATOM 292 CB ILE A 21 26.535 0.316 3.781 1.00 0.00 C ATOM 293 CG1 ILE A 21 26.276 1.617 4.568 1.00 0.00 C ATOM 294 CG2 ILE A 21 27.464 -0.611 4.579 1.00 0.00 C ATOM 295 CD1 ILE A 21 27.535 2.390 4.972 1.00 0.00 C ATOM 0 H ILE A 21 25.224 1.500 2.048 1.00 0.00 H new ATOM 0 HA ILE A 21 27.967 1.194 2.476 1.00 0.00 H new ATOM 0 HB ILE A 21 25.575 -0.182 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 21 25.645 2.270 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.713 1.373 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 21 27.050 -0.771 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.553 -1.568 4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 21 28.449 -0.153 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 21 27.250 3.288 5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 21 28.160 1.761 5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 21 28.092 2.672 4.078 1.00 0.00 H new ATOM 307 N LYS A 22 26.552 -1.535 1.201 1.00 0.00 N ATOM 308 CA LYS A 22 26.835 -2.784 0.502 1.00 0.00 C ATOM 309 C LYS A 22 27.740 -2.554 -0.715 1.00 0.00 C ATOM 310 O LYS A 22 28.691 -3.302 -0.927 1.00 0.00 O ATOM 311 CB LYS A 22 25.516 -3.470 0.117 1.00 0.00 C ATOM 312 CG LYS A 22 25.684 -4.805 -0.624 1.00 0.00 C ATOM 313 CD LYS A 22 26.479 -5.835 0.190 1.00 0.00 C ATOM 314 CE LYS A 22 26.469 -7.193 -0.521 1.00 0.00 C ATOM 315 NZ LYS A 22 27.250 -8.194 0.227 1.00 0.00 N ATOM 0 H LYS A 22 25.556 -1.349 1.320 1.00 0.00 H new ATOM 0 HA LYS A 22 27.383 -3.447 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.933 -3.642 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 22 24.938 -2.791 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.701 -5.213 -0.858 1.00 0.00 H new ATOM 0 HG3 LYS A 22 26.190 -4.628 -1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 22 27.505 -5.492 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.047 -5.934 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.442 -7.540 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.880 -7.084 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.225 -9.103 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.235 -7.872 0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.842 -8.314 1.176 1.00 0.00 H new ATOM 329 N LEU A 23 27.454 -1.521 -1.512 1.00 0.00 N ATOM 330 CA LEU A 23 28.268 -1.168 -2.671 1.00 0.00 C ATOM 331 C LEU A 23 29.619 -0.554 -2.276 1.00 0.00 C ATOM 332 O LEU A 23 30.454 -0.322 -3.147 1.00 0.00 O ATOM 333 CB LEU A 23 27.503 -0.178 -3.565 1.00 0.00 C ATOM 334 CG LEU A 23 26.233 -0.736 -4.225 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.487 0.436 -4.875 1.00 0.00 C ATOM 336 CD2 LEU A 23 26.553 -1.788 -5.295 1.00 0.00 C ATOM 0 H LEU A 23 26.651 -0.908 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 23 28.470 -2.092 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.230 0.691 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.175 0.173 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 23 25.627 -1.224 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 23 24.579 0.069 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.225 1.169 -4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.127 0.904 -5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.625 -2.154 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.170 -1.339 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.091 -2.619 -4.839 1.00 0.00 H new ATOM 348 N GLY A 24 29.838 -0.235 -0.997 1.00 0.00 N ATOM 349 CA GLY A 24 31.003 0.519 -0.560 1.00 0.00 C ATOM 350 C GLY A 24 30.960 1.955 -1.087 1.00 0.00 C ATOM 351 O GLY A 24 32.001 2.573 -1.295 1.00 0.00 O ATOM 0 H GLY A 24 29.208 -0.496 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 24 31.046 0.529 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.911 0.027 -0.910 1.00 0.00 H new ATOM 355 N PHE A 25 29.751 2.485 -1.288 1.00 0.00 N ATOM 356 CA PHE A 25 29.510 3.857 -1.709 1.00 0.00 C ATOM 357 C PHE A 25 29.226 4.730 -0.490 1.00 0.00 C ATOM 358 O PHE A 25 28.944 4.241 0.602 1.00 0.00 O ATOM 359 CB PHE A 25 28.343 3.908 -2.709 1.00 0.00 C ATOM 360 CG PHE A 25 28.785 3.939 -4.159 1.00 0.00 C ATOM 361 CD1 PHE A 25 29.448 2.830 -4.711 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.626 5.109 -4.924 1.00 0.00 C ATOM 363 CE1 PHE A 25 29.894 2.866 -6.043 1.00 0.00 C ATOM 364 CE2 PHE A 25 29.089 5.152 -6.252 1.00 0.00 C ATOM 365 CZ PHE A 25 29.709 4.025 -6.816 1.00 0.00 C ATOM 0 H PHE A 25 28.892 1.952 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 25 30.399 4.242 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.703 3.040 -2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.738 4.791 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 25 29.615 1.948 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 25 28.148 5.975 -4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 25 30.379 2.002 -6.473 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.968 6.051 -6.837 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.043 4.049 -7.843 1.00 0.00 H new ATOM 375 N THR A 26 29.273 6.043 -0.705 1.00 0.00 N ATOM 376 CA THR A 26 28.912 7.053 0.269 1.00 0.00 C ATOM 377 C THR A 26 28.297 8.226 -0.491 1.00 0.00 C ATOM 378 O THR A 26 28.248 8.219 -1.722 1.00 0.00 O ATOM 379 CB THR A 26 30.131 7.444 1.118 1.00 0.00 C ATOM 380 OG1 THR A 26 29.754 8.406 2.085 1.00 0.00 O ATOM 381 CG2 THR A 26 31.280 8.003 0.270 1.00 0.00 C ATOM 0 H THR A 26 29.575 6.439 -1.595 1.00 0.00 H new ATOM 0 HA THR A 26 28.175 6.678 0.980 1.00 0.00 H new ATOM 0 HB THR A 26 30.488 6.536 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 26 30.535 8.651 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 26 32.117 8.264 0.918 1.00 0.00 H new ATOM 0 HG22 THR A 26 31.600 7.250 -0.451 1.00 0.00 H new ATOM 0 HG23 THR A 26 30.941 8.893 -0.261 1.00 0.00 H new ATOM 389 N GLN A 27 27.837 9.230 0.250 1.00 0.00 N ATOM 390 CA GLN A 27 27.017 10.320 -0.257 1.00 0.00 C ATOM 391 C GLN A 27 27.722 11.062 -1.391 1.00 0.00 C ATOM 392 O GLN A 27 27.145 11.249 -2.458 1.00 0.00 O ATOM 393 CB GLN A 27 26.630 11.269 0.883 1.00 0.00 C ATOM 394 CG GLN A 27 25.563 10.671 1.819 1.00 0.00 C ATOM 395 CD GLN A 27 26.042 9.413 2.533 1.00 0.00 C ATOM 396 OE1 GLN A 27 25.542 8.321 2.282 1.00 0.00 O ATOM 397 NE2 GLN A 27 27.048 9.543 3.390 1.00 0.00 N ATOM 0 H GLN A 27 28.031 9.308 1.248 1.00 0.00 H new ATOM 0 HA GLN A 27 26.101 9.898 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 27 27.519 11.515 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 27 26.256 12.202 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 27 25.277 11.417 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 27 24.669 10.437 1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 27 27.442 10.465 3.578 1.00 0.00 H new ATOM 0 HE22 GLN A 27 27.426 8.721 3.861 1.00 0.00 H new ATOM 406 N GLY A 28 28.975 11.470 -1.176 1.00 0.00 N ATOM 407 CA GLY A 28 29.755 12.155 -2.197 1.00 0.00 C ATOM 408 C GLY A 28 29.869 11.313 -3.470 1.00 0.00 C ATOM 409 O GLY A 28 29.680 11.814 -4.577 1.00 0.00 O ATOM 0 H GLY A 28 29.470 11.334 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 28 29.289 13.112 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 28 30.751 12.372 -1.812 1.00 0.00 H new ATOM 413 N ASP A 29 30.172 10.022 -3.308 1.00 0.00 N ATOM 414 CA ASP A 29 30.371 9.111 -4.428 1.00 0.00 C ATOM 415 C ASP A 29 29.062 8.938 -5.202 1.00 0.00 C ATOM 416 O ASP A 29 29.044 9.018 -6.429 1.00 0.00 O ATOM 417 CB ASP A 29 30.925 7.776 -3.909 1.00 0.00 C ATOM 418 CG ASP A 29 31.490 6.875 -5.007 1.00 0.00 C ATOM 419 OD1 ASP A 29 31.478 7.298 -6.184 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.945 5.774 -4.633 1.00 0.00 O ATOM 0 H ASP A 29 30.285 9.583 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 29 31.101 9.524 -5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.708 7.978 -3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.131 7.242 -3.386 1.00 0.00 H new ATOM 425 N VAL A 30 27.948 8.746 -4.484 1.00 0.00 N ATOM 426 CA VAL A 30 26.627 8.749 -5.099 1.00 0.00 C ATOM 427 C VAL A 30 26.413 10.062 -5.847 1.00 0.00 C ATOM 428 O VAL A 30 26.016 10.031 -7.005 1.00 0.00 O ATOM 429 CB VAL A 30 25.518 8.461 -4.069 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.121 8.693 -4.663 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.593 7.002 -3.608 1.00 0.00 C ATOM 0 H VAL A 30 27.942 8.587 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 30 26.571 7.938 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 30 25.674 9.142 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.365 8.480 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.030 9.730 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.975 8.034 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.805 6.809 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.464 6.342 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.564 6.815 -3.149 1.00 0.00 H new ATOM 441 N GLY A 31 26.697 11.204 -5.216 1.00 0.00 N ATOM 442 CA GLY A 31 26.667 12.512 -5.856 1.00 0.00 C ATOM 443 C GLY A 31 27.389 12.491 -7.204 1.00 0.00 C ATOM 444 O GLY A 31 26.803 12.841 -8.223 1.00 0.00 O ATOM 0 H GLY A 31 26.958 11.241 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.633 12.824 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.134 13.249 -5.203 1.00 0.00 H new ATOM 448 N LEU A 32 28.648 12.049 -7.208 1.00 0.00 N ATOM 449 CA LEU A 32 29.490 12.018 -8.399 1.00 0.00 C ATOM 450 C LEU A 32 28.877 11.133 -9.481 1.00 0.00 C ATOM 451 O LEU A 32 28.687 11.550 -10.624 1.00 0.00 O ATOM 452 CB LEU A 32 30.878 11.502 -8.010 1.00 0.00 C ATOM 453 CG LEU A 32 31.911 11.535 -9.150 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.174 12.957 -9.658 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.224 10.925 -8.646 1.00 0.00 C ATOM 0 H LEU A 32 29.115 11.699 -6.372 1.00 0.00 H new ATOM 0 HA LEU A 32 29.571 13.026 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.254 12.098 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.784 10.477 -7.651 1.00 0.00 H new ATOM 0 HG LEU A 32 31.508 10.961 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.910 12.926 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.245 13.387 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.554 13.571 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.964 10.943 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.592 11.503 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.051 9.895 -8.335 1.00 0.00 H new ATOM 467 N ALA A 33 28.594 9.887 -9.112 1.00 0.00 N ATOM 468 CA ALA A 33 28.035 8.899 -10.023 1.00 0.00 C ATOM 469 C ALA A 33 26.706 9.390 -10.608 1.00 0.00 C ATOM 470 O ALA A 33 26.488 9.337 -11.816 1.00 0.00 O ATOM 471 CB ALA A 33 27.892 7.564 -9.290 1.00 0.00 C ATOM 0 H ALA A 33 28.748 9.535 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 33 28.708 8.751 -10.868 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.474 6.820 -9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.871 7.231 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.229 7.688 -8.434 1.00 0.00 H new ATOM 477 N MET A 34 25.818 9.900 -9.755 1.00 0.00 N ATOM 478 CA MET A 34 24.582 10.532 -10.187 1.00 0.00 C ATOM 479 C MET A 34 24.891 11.689 -11.129 1.00 0.00 C ATOM 480 O MET A 34 24.237 11.825 -12.151 1.00 0.00 O ATOM 481 CB MET A 34 23.788 11.044 -8.981 1.00 0.00 C ATOM 482 CG MET A 34 23.235 9.913 -8.106 1.00 0.00 C ATOM 483 SD MET A 34 21.470 9.556 -8.259 1.00 0.00 S ATOM 484 CE MET A 34 21.292 9.424 -10.044 1.00 0.00 C ATOM 0 H MET A 34 25.941 9.884 -8.743 1.00 0.00 H new ATOM 0 HA MET A 34 23.980 9.790 -10.712 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.430 11.684 -8.376 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.962 11.662 -9.332 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.787 9.002 -8.338 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.444 10.156 -7.064 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.316 9.000 -10.282 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.377 10.414 -10.492 1.00 0.00 H new ATOM 0 HE3 MET A 34 22.075 8.778 -10.441 1.00 0.00 H new ATOM 494 N GLY A 35 25.890 12.506 -10.797 1.00 0.00 N ATOM 495 CA GLY A 35 26.459 13.521 -11.671 1.00 0.00 C ATOM 496 C GLY A 35 26.693 12.977 -13.073 1.00 0.00 C ATOM 497 O GLY A 35 26.187 13.528 -14.047 1.00 0.00 O ATOM 0 H GLY A 35 26.338 12.475 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.789 14.379 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.402 13.875 -11.254 1.00 0.00 H new ATOM 501 N LYS A 36 27.449 11.885 -13.165 1.00 0.00 N ATOM 502 CA LYS A 36 27.752 11.251 -14.438 1.00 0.00 C ATOM 503 C LYS A 36 26.481 10.785 -15.162 1.00 0.00 C ATOM 504 O LYS A 36 26.330 11.032 -16.356 1.00 0.00 O ATOM 505 CB LYS A 36 28.750 10.112 -14.236 1.00 0.00 C ATOM 506 CG LYS A 36 30.113 10.715 -13.883 1.00 0.00 C ATOM 507 CD LYS A 36 31.078 9.653 -13.365 1.00 0.00 C ATOM 508 CE LYS A 36 31.323 8.493 -14.339 1.00 0.00 C ATOM 509 NZ LYS A 36 31.822 8.963 -15.643 1.00 0.00 N ATOM 0 H LYS A 36 27.866 11.419 -12.359 1.00 0.00 H new ATOM 0 HA LYS A 36 28.216 11.993 -15.087 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.412 9.449 -13.440 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.826 9.510 -15.141 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.538 11.196 -14.764 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.984 11.490 -13.128 1.00 0.00 H new ATOM 0 HD2 LYS A 36 32.032 10.127 -13.136 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.689 9.251 -12.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.043 7.800 -13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 36 30.395 7.939 -14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 32.022 8.145 -16.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 31.103 9.564 -16.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.694 9.513 -15.503 1.00 0.00 H new ATOM 523 N LEU A 37 25.589 10.078 -14.462 1.00 0.00 N ATOM 524 CA LEU A 37 24.462 9.395 -15.099 1.00 0.00 C ATOM 525 C LEU A 37 23.219 10.278 -15.313 1.00 0.00 C ATOM 526 O LEU A 37 22.406 9.970 -16.180 1.00 0.00 O ATOM 527 CB LEU A 37 24.109 8.121 -14.314 1.00 0.00 C ATOM 528 CG LEU A 37 25.271 7.128 -14.146 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.740 5.831 -13.524 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.972 6.788 -15.467 1.00 0.00 C ATOM 0 H LEU A 37 25.627 9.964 -13.449 1.00 0.00 H new ATOM 0 HA LEU A 37 24.794 9.132 -16.103 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.748 8.407 -13.326 1.00 0.00 H new ATOM 0 HB3 LEU A 37 23.287 7.615 -14.820 1.00 0.00 H new ATOM 0 HG LEU A 37 26.007 7.609 -13.502 1.00 0.00 H new ATOM 0 HD11 LEU A 37 25.560 5.123 -13.403 1.00 0.00 H new ATOM 0 HD12 LEU A 37 24.301 6.048 -12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.981 5.399 -14.176 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.782 6.083 -15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 37 25.255 6.341 -16.155 1.00 0.00 H new ATOM 0 HD23 LEU A 37 26.379 7.698 -15.908 1.00 0.00 H new ATOM 542 N TYR A 38 23.035 11.336 -14.517 1.00 0.00 N ATOM 543 CA TYR A 38 21.853 12.201 -14.525 1.00 0.00 C ATOM 544 C TYR A 38 22.246 13.660 -14.256 1.00 0.00 C ATOM 545 O TYR A 38 22.024 14.533 -15.091 1.00 0.00 O ATOM 546 CB TYR A 38 20.833 11.763 -13.457 1.00 0.00 C ATOM 547 CG TYR A 38 20.194 10.394 -13.621 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.890 9.259 -13.176 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.825 10.286 -13.940 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.235 8.022 -13.055 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.157 9.059 -13.777 1.00 0.00 C ATOM 552 CZ TYR A 38 18.870 7.923 -13.362 1.00 0.00 C ATOM 553 OH TYR A 38 18.187 6.783 -13.080 1.00 0.00 O ATOM 0 H TYR A 38 23.729 11.623 -13.826 1.00 0.00 H new ATOM 0 HA TYR A 38 21.400 12.115 -15.513 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.329 11.789 -12.487 1.00 0.00 H new ATOM 0 HB3 TYR A 38 20.036 12.506 -13.428 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.937 9.337 -12.925 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.288 11.147 -14.310 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.781 7.150 -12.727 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.097 8.991 -13.971 1.00 0.00 H new ATOM 0 HH TYR A 38 18.222 6.611 -12.116 1.00 0.00 H new ATOM 563 N GLY A 39 22.767 13.931 -13.057 1.00 0.00 N ATOM 564 CA GLY A 39 23.035 15.264 -12.546 1.00 0.00 C ATOM 565 C GLY A 39 23.367 15.180 -11.054 1.00 0.00 C ATOM 566 O GLY A 39 22.807 14.354 -10.331 1.00 0.00 O ATOM 0 H GLY A 39 23.021 13.196 -12.396 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.866 15.714 -13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.168 15.906 -12.701 1.00 0.00 H new ATOM 570 N ASN A 40 24.305 16.010 -10.585 1.00 0.00 N ATOM 571 CA ASN A 40 24.834 15.934 -9.227 1.00 0.00 C ATOM 572 C ASN A 40 23.861 16.634 -8.281 1.00 0.00 C ATOM 573 O ASN A 40 24.137 17.722 -7.779 1.00 0.00 O ATOM 574 CB ASN A 40 26.256 16.522 -9.167 1.00 0.00 C ATOM 575 CG ASN A 40 26.940 16.288 -7.815 1.00 0.00 C ATOM 576 OD1 ASN A 40 27.885 15.514 -7.713 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.486 16.960 -6.764 1.00 0.00 N ATOM 0 H ASN A 40 24.718 16.757 -11.144 1.00 0.00 H new ATOM 0 HA ASN A 40 24.923 14.895 -8.910 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.861 16.078 -9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.210 17.593 -9.365 1.00 0.00 H new ATOM 0 HD21 ASN A 40 26.925 16.837 -5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 40 25.698 17.600 -6.869 1.00 0.00 H new ATOM 584 N ASP A 41 22.712 16.004 -8.040 1.00 0.00 N ATOM 585 CA ASP A 41 21.701 16.498 -7.109 1.00 0.00 C ATOM 586 C ASP A 41 21.650 15.663 -5.827 1.00 0.00 C ATOM 587 O ASP A 41 20.613 15.607 -5.176 1.00 0.00 O ATOM 588 CB ASP A 41 20.348 16.609 -7.837 1.00 0.00 C ATOM 589 CG ASP A 41 19.233 17.199 -6.973 1.00 0.00 C ATOM 590 OD1 ASP A 41 19.515 18.195 -6.269 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.114 16.645 -7.033 1.00 0.00 O ATOM 0 H ASP A 41 22.455 15.126 -8.491 1.00 0.00 H new ATOM 0 HA ASP A 41 21.972 17.499 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.473 17.228 -8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.046 15.619 -8.178 1.00 0.00 H new ATOM 596 N PHE A 42 22.763 15.023 -5.439 1.00 0.00 N ATOM 597 CA PHE A 42 22.745 14.030 -4.362 1.00 0.00 C ATOM 598 C PHE A 42 23.986 14.068 -3.474 1.00 0.00 C ATOM 599 O PHE A 42 24.271 13.096 -2.776 1.00 0.00 O ATOM 600 CB PHE A 42 22.513 12.630 -4.946 1.00 0.00 C ATOM 601 CG PHE A 42 21.351 12.575 -5.919 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.035 12.555 -5.424 1.00 0.00 C ATOM 603 CD2 PHE A 42 21.569 12.893 -7.273 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.958 12.838 -6.280 1.00 0.00 C ATOM 605 CE2 PHE A 42 20.486 13.007 -8.160 1.00 0.00 C ATOM 606 CZ PHE A 42 19.174 12.994 -7.659 1.00 0.00 C ATOM 0 H PHE A 42 23.682 15.176 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 42 21.915 14.288 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.420 12.300 -5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.330 11.929 -4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.852 12.322 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 42 22.575 13.050 -7.632 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.961 12.936 -5.877 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.661 13.104 -9.221 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.335 13.103 -8.331 1.00 0.00 H new ATOM 616 N SER A 43 24.699 15.196 -3.445 1.00 0.00 N ATOM 617 CA SER A 43 25.752 15.409 -2.466 1.00 0.00 C ATOM 618 C SER A 43 25.111 15.555 -1.084 1.00 0.00 C ATOM 619 O SER A 43 24.847 16.672 -0.636 1.00 0.00 O ATOM 620 CB SER A 43 26.581 16.639 -2.847 1.00 0.00 C ATOM 621 OG SER A 43 27.174 16.424 -4.114 1.00 0.00 O ATOM 0 H SER A 43 24.562 15.973 -4.091 1.00 0.00 H new ATOM 0 HA SER A 43 26.433 14.558 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.948 17.526 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.351 16.820 -2.097 1.00 0.00 H new ATOM 0 HG SER A 43 27.827 17.132 -4.294 1.00 0.00 H new ATOM 627 N GLN A 44 24.858 14.409 -0.441 1.00 0.00 N ATOM 628 CA GLN A 44 24.271 14.194 0.881 1.00 0.00 C ATOM 629 C GLN A 44 22.876 14.797 1.042 1.00 0.00 C ATOM 630 O GLN A 44 21.923 14.060 1.274 1.00 0.00 O ATOM 631 CB GLN A 44 25.225 14.501 2.060 1.00 0.00 C ATOM 632 CG GLN A 44 26.011 15.822 2.059 1.00 0.00 C ATOM 633 CD GLN A 44 27.232 15.822 1.135 1.00 0.00 C ATOM 634 OE1 GLN A 44 27.639 14.792 0.604 1.00 0.00 O ATOM 635 NE2 GLN A 44 27.833 16.988 0.923 1.00 0.00 N ATOM 0 H GLN A 44 25.084 13.518 -0.883 1.00 0.00 H new ATOM 0 HA GLN A 44 24.118 13.116 0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 44 24.636 14.470 2.977 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.949 13.688 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 44 25.343 16.630 1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 44 26.338 16.038 3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 44 27.480 17.833 1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 44 28.647 17.038 0.310 1.00 0.00 H new ATOM 644 N THR A 45 22.758 16.117 0.937 1.00 0.00 N ATOM 645 CA THR A 45 21.571 16.931 1.145 1.00 0.00 C ATOM 646 C THR A 45 20.274 16.218 0.727 1.00 0.00 C ATOM 647 O THR A 45 19.482 15.811 1.574 1.00 0.00 O ATOM 648 CB THR A 45 21.798 18.274 0.422 1.00 0.00 C ATOM 649 OG1 THR A 45 23.170 18.632 0.491 1.00 0.00 O ATOM 650 CG2 THR A 45 20.970 19.390 1.063 1.00 0.00 C ATOM 0 H THR A 45 23.561 16.691 0.682 1.00 0.00 H new ATOM 0 HA THR A 45 21.426 17.115 2.210 1.00 0.00 H new ATOM 0 HB THR A 45 21.490 18.151 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.309 19.485 0.029 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.149 20.326 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.911 19.137 1.005 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.259 19.503 2.108 1.00 0.00 H new ATOM 658 N THR A 46 20.060 16.031 -0.575 1.00 0.00 N ATOM 659 CA THR A 46 18.863 15.434 -1.149 1.00 0.00 C ATOM 660 C THR A 46 18.621 14.012 -0.643 1.00 0.00 C ATOM 661 O THR A 46 17.485 13.628 -0.387 1.00 0.00 O ATOM 662 CB THR A 46 19.023 15.499 -2.667 1.00 0.00 C ATOM 663 OG1 THR A 46 19.632 16.741 -2.971 1.00 0.00 O ATOM 664 CG2 THR A 46 17.698 15.396 -3.424 1.00 0.00 C ATOM 0 H THR A 46 20.743 16.303 -1.282 1.00 0.00 H new ATOM 0 HA THR A 46 17.975 15.985 -0.839 1.00 0.00 H new ATOM 0 HB THR A 46 19.624 14.646 -2.983 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.168 16.652 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 46 17.886 15.449 -4.496 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.216 14.447 -3.187 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.046 16.218 -3.129 1.00 0.00 H new ATOM 672 N ILE A 47 19.683 13.226 -0.480 1.00 0.00 N ATOM 673 CA ILE A 47 19.586 11.848 -0.019 1.00 0.00 C ATOM 674 C ILE A 47 19.208 11.815 1.472 1.00 0.00 C ATOM 675 O ILE A 47 18.424 10.972 1.912 1.00 0.00 O ATOM 676 CB ILE A 47 20.904 11.129 -0.368 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.078 10.952 -1.885 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.044 9.787 0.352 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.103 9.979 -2.556 1.00 0.00 C ATOM 0 H ILE A 47 20.638 13.531 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 47 18.786 11.306 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 47 21.705 11.777 -0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.974 11.927 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.095 10.610 -2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.989 9.321 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.024 9.949 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.219 9.134 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.315 9.930 -3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.219 8.988 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.081 10.326 -2.404 1.00 0.00 H new ATOM 691 N SER A 48 19.706 12.774 2.248 1.00 0.00 N ATOM 692 CA SER A 48 19.328 12.942 3.642 1.00 0.00 C ATOM 693 C SER A 48 17.853 13.341 3.714 1.00 0.00 C ATOM 694 O SER A 48 17.064 12.720 4.423 1.00 0.00 O ATOM 695 CB SER A 48 20.241 13.982 4.304 1.00 0.00 C ATOM 696 OG SER A 48 21.598 13.673 4.038 1.00 0.00 O ATOM 0 H SER A 48 20.388 13.459 1.922 1.00 0.00 H new ATOM 0 HA SER A 48 19.452 12.007 4.188 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.005 14.977 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.067 13.999 5.380 1.00 0.00 H new ATOM 0 HG SER A 48 21.795 13.849 3.094 1.00 0.00 H new ATOM 702 N ARG A 49 17.474 14.362 2.938 1.00 0.00 N ATOM 703 CA ARG A 49 16.094 14.811 2.808 1.00 0.00 C ATOM 704 C ARG A 49 15.178 13.669 2.357 1.00 0.00 C ATOM 705 O ARG A 49 14.034 13.593 2.802 1.00 0.00 O ATOM 706 CB ARG A 49 16.023 15.997 1.837 1.00 0.00 C ATOM 707 CG ARG A 49 16.602 17.275 2.461 1.00 0.00 C ATOM 708 CD ARG A 49 16.514 18.460 1.493 1.00 0.00 C ATOM 709 NE ARG A 49 17.378 18.268 0.319 1.00 0.00 N ATOM 710 CZ ARG A 49 17.371 19.055 -0.769 1.00 0.00 C ATOM 711 NH1 ARG A 49 16.590 20.140 -0.793 1.00 0.00 N ATOM 712 NH2 ARG A 49 18.135 18.768 -1.831 1.00 0.00 N ATOM 0 H ARG A 49 18.131 14.904 2.377 1.00 0.00 H new ATOM 0 HA ARG A 49 15.741 15.139 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.571 15.756 0.926 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.986 16.170 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.061 17.511 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.642 17.107 2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.482 18.589 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.801 19.375 2.011 1.00 0.00 H new ATOM 0 HE ARG A 49 18.028 17.482 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.005 20.365 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.579 20.743 -1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.733 17.942 -1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.119 19.376 -2.650 1.00 0.00 H new ATOM 726 N PHE A 50 15.666 12.790 1.478 1.00 0.00 N ATOM 727 CA PHE A 50 14.938 11.621 1.012 1.00 0.00 C ATOM 728 C PHE A 50 14.604 10.711 2.187 1.00 0.00 C ATOM 729 O PHE A 50 13.435 10.456 2.463 1.00 0.00 O ATOM 730 CB PHE A 50 15.771 10.863 -0.022 1.00 0.00 C ATOM 731 CG PHE A 50 15.145 9.633 -0.653 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.763 9.555 -0.903 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.991 8.613 -1.121 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.255 8.567 -1.763 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.468 7.572 -1.903 1.00 0.00 C ATOM 736 CZ PHE A 50 14.118 7.597 -2.296 1.00 0.00 C ATOM 0 H PHE A 50 16.595 12.878 1.067 1.00 0.00 H new ATOM 0 HA PHE A 50 14.009 11.946 0.545 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.030 11.557 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.704 10.561 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.090 10.257 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.043 8.630 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.204 8.554 -2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.102 6.751 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.747 6.872 -3.005 1.00 0.00 H new ATOM 746 N GLU A 51 15.639 10.242 2.888 1.00 0.00 N ATOM 747 CA GLU A 51 15.467 9.390 4.065 1.00 0.00 C ATOM 748 C GLU A 51 14.584 10.065 5.124 1.00 0.00 C ATOM 749 O GLU A 51 13.722 9.420 5.710 1.00 0.00 O ATOM 750 CB GLU A 51 16.830 8.983 4.637 1.00 0.00 C ATOM 751 CG GLU A 51 17.494 7.899 3.776 1.00 0.00 C ATOM 752 CD GLU A 51 18.889 7.573 4.295 1.00 0.00 C ATOM 753 OE1 GLU A 51 18.963 6.824 5.292 1.00 0.00 O ATOM 754 OE2 GLU A 51 19.857 8.084 3.690 1.00 0.00 O ATOM 0 H GLU A 51 16.613 10.441 2.657 1.00 0.00 H new ATOM 0 HA GLU A 51 14.949 8.482 3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.480 9.856 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.705 8.616 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.880 6.998 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.556 8.237 2.742 1.00 0.00 H new ATOM 761 N ALA A 52 14.766 11.367 5.351 1.00 0.00 N ATOM 762 CA ALA A 52 13.924 12.135 6.267 1.00 0.00 C ATOM 763 C ALA A 52 12.512 12.392 5.713 1.00 0.00 C ATOM 764 O ALA A 52 11.694 13.006 6.392 1.00 0.00 O ATOM 765 CB ALA A 52 14.621 13.459 6.592 1.00 0.00 C ATOM 0 H ALA A 52 15.500 11.917 4.905 1.00 0.00 H new ATOM 0 HA ALA A 52 13.792 11.543 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.000 14.039 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.585 13.258 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.775 14.024 5.673 1.00 0.00 H new ATOM 771 N LEU A 53 12.239 11.968 4.476 1.00 0.00 N ATOM 772 CA LEU A 53 11.052 12.259 3.688 1.00 0.00 C ATOM 773 C LEU A 53 10.582 13.710 3.820 1.00 0.00 C ATOM 774 O LEU A 53 9.411 13.999 4.052 1.00 0.00 O ATOM 775 CB LEU A 53 9.981 11.166 3.847 1.00 0.00 C ATOM 776 CG LEU A 53 9.337 10.790 2.497 1.00 0.00 C ATOM 777 CD1 LEU A 53 8.497 9.522 2.667 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.440 11.906 1.947 1.00 0.00 C ATOM 0 H LEU A 53 12.892 11.371 3.969 1.00 0.00 H new ATOM 0 HA LEU A 53 11.321 12.205 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.431 10.279 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.208 11.512 4.534 1.00 0.00 H new ATOM 0 HG LEU A 53 10.148 10.628 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.042 9.256 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.135 8.705 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.715 9.700 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.011 11.592 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.639 12.112 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.033 12.809 1.797 1.00 0.00 H new ATOM 790 N ASN A 54 11.525 14.629 3.600 1.00 0.00 N ATOM 791 CA ASN A 54 11.296 16.067 3.634 1.00 0.00 C ATOM 792 C ASN A 54 10.653 16.546 2.333 1.00 0.00 C ATOM 793 O ASN A 54 9.728 17.353 2.343 1.00 0.00 O ATOM 794 CB ASN A 54 12.632 16.777 3.881 1.00 0.00 C ATOM 795 CG ASN A 54 12.548 18.273 3.594 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.118 18.752 2.620 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.841 19.022 4.434 1.00 0.00 N ATOM 0 H ASN A 54 12.492 14.383 3.388 1.00 0.00 H new ATOM 0 HA ASN A 54 10.606 16.306 4.443 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.938 16.623 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.401 16.330 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.761 20.027 4.277 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.379 18.592 5.235 1.00 0.00 H new ATOM 804 N LEU A 55 11.153 16.057 1.199 1.00 0.00 N ATOM 805 CA LEU A 55 10.708 16.473 -0.129 1.00 0.00 C ATOM 806 C LEU A 55 9.401 15.758 -0.511 1.00 0.00 C ATOM 807 O LEU A 55 9.336 15.053 -1.518 1.00 0.00 O ATOM 808 CB LEU A 55 11.846 16.239 -1.140 1.00 0.00 C ATOM 809 CG LEU A 55 13.108 17.069 -0.847 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.268 16.554 -1.708 1.00 0.00 C ATOM 811 CD2 LEU A 55 12.896 18.562 -1.123 1.00 0.00 C ATOM 0 H LEU A 55 11.889 15.351 1.177 1.00 0.00 H new ATOM 0 HA LEU A 55 10.479 17.539 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.109 15.181 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.487 16.479 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 55 13.338 16.957 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.163 17.141 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.459 15.507 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.008 16.648 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.814 19.107 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.633 18.705 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.090 18.938 -0.493 1.00 0.00 H new ATOM 823 N SER A 56 8.367 15.952 0.315 1.00 0.00 N ATOM 824 CA SER A 56 7.068 15.291 0.338 1.00 0.00 C ATOM 825 C SER A 56 6.564 14.747 -1.003 1.00 0.00 C ATOM 826 O SER A 56 5.854 15.443 -1.728 1.00 0.00 O ATOM 827 CB SER A 56 6.062 16.273 0.946 1.00 0.00 C ATOM 828 OG SER A 56 6.637 16.835 2.111 1.00 0.00 O ATOM 0 H SER A 56 8.432 16.648 1.058 1.00 0.00 H new ATOM 0 HA SER A 56 7.183 14.390 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.815 17.056 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.132 15.760 1.191 1.00 0.00 H new ATOM 0 HG SER A 56 6.007 17.469 2.514 1.00 0.00 H new ATOM 834 N PHE A 57 6.869 13.475 -1.286 1.00 0.00 N ATOM 835 CA PHE A 57 6.347 12.663 -2.384 1.00 0.00 C ATOM 836 C PHE A 57 6.786 13.119 -3.781 1.00 0.00 C ATOM 837 O PHE A 57 7.375 12.337 -4.522 1.00 0.00 O ATOM 838 CB PHE A 57 4.823 12.505 -2.297 1.00 0.00 C ATOM 839 CG PHE A 57 4.293 11.463 -3.264 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.470 10.096 -2.982 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.762 11.855 -4.507 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.083 9.123 -3.920 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.388 10.883 -5.452 1.00 0.00 C ATOM 844 CZ PHE A 57 3.542 9.517 -5.157 1.00 0.00 C ATOM 0 H PHE A 57 7.532 12.953 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 57 6.804 11.683 -2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.547 12.227 -1.280 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.349 13.464 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.905 9.793 -2.041 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.642 12.904 -4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.201 8.074 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.982 11.186 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.245 8.771 -5.879 1.00 0.00 H new ATOM 854 N LYS A 58 6.475 14.363 -4.153 1.00 0.00 N ATOM 855 CA LYS A 58 6.689 14.931 -5.481 1.00 0.00 C ATOM 856 C LYS A 58 8.067 14.585 -6.053 1.00 0.00 C ATOM 857 O LYS A 58 8.179 14.098 -7.176 1.00 0.00 O ATOM 858 CB LYS A 58 6.429 16.446 -5.426 1.00 0.00 C ATOM 859 CG LYS A 58 7.322 17.203 -4.426 1.00 0.00 C ATOM 860 CD LYS A 58 6.769 18.610 -4.168 1.00 0.00 C ATOM 861 CE LYS A 58 7.643 19.383 -3.169 1.00 0.00 C ATOM 862 NZ LYS A 58 7.641 18.759 -1.833 1.00 0.00 N ATOM 0 H LYS A 58 6.049 15.028 -3.508 1.00 0.00 H new ATOM 0 HA LYS A 58 5.979 14.481 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.580 16.866 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.385 16.615 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.377 16.650 -3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.338 17.271 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.716 19.159 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.752 18.538 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.665 19.432 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.283 20.409 -3.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.099 19.397 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.661 18.580 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.161 17.859 -1.869 1.00 0.00 H new ATOM 876 N ASN A 59 9.119 14.820 -5.268 1.00 0.00 N ATOM 877 CA ASN A 59 10.480 14.467 -5.647 1.00 0.00 C ATOM 878 C ASN A 59 10.632 12.951 -5.623 1.00 0.00 C ATOM 879 O ASN A 59 11.053 12.328 -6.597 1.00 0.00 O ATOM 880 CB ASN A 59 11.447 15.097 -4.646 1.00 0.00 C ATOM 881 CG ASN A 59 12.893 14.716 -4.939 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.512 13.994 -4.168 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.447 15.195 -6.048 1.00 0.00 N ATOM 0 H ASN A 59 9.047 15.261 -4.351 1.00 0.00 H new ATOM 0 HA ASN A 59 10.698 14.833 -6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.344 16.182 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.184 14.778 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.414 14.963 -6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.905 15.794 -6.671 1.00 0.00 H new ATOM 890 N MET A 60 10.289 12.384 -4.469 1.00 0.00 N ATOM 891 CA MET A 60 10.479 10.983 -4.122 1.00 0.00 C ATOM 892 C MET A 60 10.020 10.041 -5.229 1.00 0.00 C ATOM 893 O MET A 60 10.694 9.067 -5.545 1.00 0.00 O ATOM 894 CB MET A 60 9.751 10.649 -2.821 1.00 0.00 C ATOM 895 CG MET A 60 10.040 11.625 -1.681 1.00 0.00 C ATOM 896 SD MET A 60 11.680 12.386 -1.644 1.00 0.00 S ATOM 897 CE MET A 60 11.654 12.883 0.075 1.00 0.00 C ATOM 0 H MET A 60 9.851 12.916 -3.717 1.00 0.00 H new ATOM 0 HA MET A 60 11.551 10.835 -3.989 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.678 10.634 -3.010 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.033 9.644 -2.506 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.298 12.422 -1.722 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.890 11.098 -0.739 1.00 0.00 H new ATOM 0 HE1 MET A 60 12.473 13.577 0.265 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.705 13.371 0.298 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.768 12.004 0.710 1.00 0.00 H new ATOM 907 N CYS A 61 8.862 10.330 -5.818 1.00 0.00 N ATOM 908 CA CYS A 61 8.280 9.514 -6.871 1.00 0.00 C ATOM 909 C CYS A 61 9.180 9.412 -8.103 1.00 0.00 C ATOM 910 O CYS A 61 9.207 8.369 -8.752 1.00 0.00 O ATOM 911 CB CYS A 61 6.894 10.072 -7.213 1.00 0.00 C ATOM 912 SG CYS A 61 6.239 9.284 -8.702 1.00 0.00 S ATOM 0 H CYS A 61 8.300 11.145 -5.573 1.00 0.00 H new ATOM 0 HA CYS A 61 8.179 8.491 -6.508 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.213 9.906 -6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.957 11.150 -7.363 1.00 0.00 H new ATOM 0 HG CYS A 61 7.134 8.482 -9.198 1.00 0.00 H new ATOM 917 N LYS A 62 9.949 10.460 -8.405 1.00 0.00 N ATOM 918 CA LYS A 62 10.952 10.420 -9.460 1.00 0.00 C ATOM 919 C LYS A 62 12.242 9.804 -8.908 1.00 0.00 C ATOM 920 O LYS A 62 12.880 8.962 -9.541 1.00 0.00 O ATOM 921 CB LYS A 62 11.197 11.840 -9.996 1.00 0.00 C ATOM 922 CG LYS A 62 9.905 12.599 -10.345 1.00 0.00 C ATOM 923 CD LYS A 62 8.956 11.845 -11.290 1.00 0.00 C ATOM 924 CE LYS A 62 9.608 11.530 -12.641 1.00 0.00 C ATOM 925 NZ LYS A 62 8.649 10.891 -13.558 1.00 0.00 N ATOM 0 H LYS A 62 9.891 11.357 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 62 10.601 9.803 -10.287 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.753 12.409 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.825 11.780 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.372 12.827 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.171 13.552 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.639 10.916 -10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.059 12.442 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.986 12.449 -13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.464 10.873 -12.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.117 10.689 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.307 10.002 -13.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.844 11.530 -13.719 1.00 0.00 H new ATOM 939 N LEU A 63 12.622 10.231 -7.705 1.00 0.00 N ATOM 940 CA LEU A 63 13.853 9.832 -7.047 1.00 0.00 C ATOM 941 C LEU A 63 13.950 8.311 -6.878 1.00 0.00 C ATOM 942 O LEU A 63 15.019 7.745 -7.082 1.00 0.00 O ATOM 943 CB LEU A 63 13.925 10.538 -5.695 1.00 0.00 C ATOM 944 CG LEU A 63 15.210 10.313 -4.893 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.441 10.646 -5.734 1.00 0.00 C ATOM 946 CD2 LEU A 63 15.226 11.215 -3.659 1.00 0.00 C ATOM 0 H LEU A 63 12.064 10.881 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 63 14.699 10.124 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.804 11.609 -5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.080 10.211 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 63 15.235 9.264 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.341 10.479 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.462 10.007 -6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.399 11.690 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.144 11.046 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.178 12.258 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.367 10.985 -3.029 1.00 0.00 H new ATOM 958 N LYS A 64 12.862 7.636 -6.494 1.00 0.00 N ATOM 959 CA LYS A 64 12.896 6.197 -6.272 1.00 0.00 C ATOM 960 C LYS A 64 13.333 5.445 -7.537 1.00 0.00 C ATOM 961 O LYS A 64 14.372 4.785 -7.499 1.00 0.00 O ATOM 962 CB LYS A 64 11.582 5.720 -5.635 1.00 0.00 C ATOM 963 CG LYS A 64 11.549 4.215 -5.314 1.00 0.00 C ATOM 964 CD LYS A 64 11.057 3.338 -6.477 1.00 0.00 C ATOM 965 CE LYS A 64 10.905 1.884 -6.019 1.00 0.00 C ATOM 966 NZ LYS A 64 10.447 1.019 -7.121 1.00 0.00 N ATOM 0 H LYS A 64 11.952 8.067 -6.332 1.00 0.00 H new ATOM 0 HA LYS A 64 13.668 5.953 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.412 6.280 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.758 5.955 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.550 3.893 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.903 4.052 -4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.102 3.712 -6.845 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.762 3.393 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.859 1.519 -5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.194 1.833 -5.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.386 0.036 -6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.510 1.334 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.121 1.076 -7.911 1.00 0.00 H new ATOM 980 N PRO A 65 12.603 5.522 -8.665 1.00 0.00 N ATOM 981 CA PRO A 65 13.030 4.881 -9.896 1.00 0.00 C ATOM 982 C PRO A 65 14.398 5.401 -10.347 1.00 0.00 C ATOM 983 O PRO A 65 15.216 4.609 -10.803 1.00 0.00 O ATOM 984 CB PRO A 65 11.920 5.117 -10.926 1.00 0.00 C ATOM 985 CG PRO A 65 11.159 6.322 -10.380 1.00 0.00 C ATOM 986 CD PRO A 65 11.333 6.196 -8.865 1.00 0.00 C ATOM 0 HA PRO A 65 13.173 3.809 -9.760 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.330 5.319 -11.915 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.272 4.246 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.569 7.260 -10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.108 6.297 -10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.332 7.177 -8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.515 5.627 -8.424 1.00 0.00 H new ATOM 994 N LEU A 66 14.675 6.701 -10.200 1.00 0.00 N ATOM 995 CA LEU A 66 15.980 7.271 -10.527 1.00 0.00 C ATOM 996 C LEU A 66 17.115 6.517 -9.817 1.00 0.00 C ATOM 997 O LEU A 66 18.047 6.034 -10.469 1.00 0.00 O ATOM 998 CB LEU A 66 15.943 8.776 -10.202 1.00 0.00 C ATOM 999 CG LEU A 66 17.237 9.566 -10.452 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.923 10.875 -11.186 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.912 9.935 -9.127 1.00 0.00 C ATOM 0 H LEU A 66 14.001 7.383 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 66 16.192 7.157 -11.590 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.147 9.232 -10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.671 8.891 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 66 17.896 8.935 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.847 11.427 -11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.451 10.651 -12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.247 11.479 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.826 10.494 -9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.235 10.548 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.156 9.026 -8.577 1.00 0.00 H new ATOM 1013 N LEU A 67 17.033 6.386 -8.490 1.00 0.00 N ATOM 1014 CA LEU A 67 18.016 5.658 -7.710 1.00 0.00 C ATOM 1015 C LEU A 67 17.985 4.173 -8.029 1.00 0.00 C ATOM 1016 O LEU A 67 19.035 3.546 -8.079 1.00 0.00 O ATOM 1017 CB LEU A 67 17.785 5.862 -6.214 1.00 0.00 C ATOM 1018 CG LEU A 67 18.091 7.285 -5.737 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.736 7.395 -4.265 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.539 7.728 -5.961 1.00 0.00 C ATOM 0 H LEU A 67 16.278 6.786 -7.933 1.00 0.00 H new ATOM 0 HA LEU A 67 18.996 6.053 -7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.748 5.624 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.407 5.160 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 67 17.484 7.957 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.950 8.404 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.676 7.180 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.327 6.679 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.669 8.747 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.211 7.060 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.770 7.693 -7.026 1.00 0.00 H new ATOM 1032 N GLU A 68 16.804 3.589 -8.228 1.00 0.00 N ATOM 1033 CA GLU A 68 16.685 2.178 -8.556 1.00 0.00 C ATOM 1034 C GLU A 68 17.457 1.876 -9.850 1.00 0.00 C ATOM 1035 O GLU A 68 18.252 0.938 -9.908 1.00 0.00 O ATOM 1036 CB GLU A 68 15.197 1.820 -8.645 1.00 0.00 C ATOM 1037 CG GLU A 68 14.941 0.309 -8.632 1.00 0.00 C ATOM 1038 CD GLU A 68 13.466 0.024 -8.363 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.630 0.589 -9.100 1.00 0.00 O ATOM 1040 OE2 GLU A 68 13.197 -0.723 -7.396 1.00 0.00 O ATOM 0 H GLU A 68 15.912 4.080 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 68 17.130 1.556 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.668 2.279 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.781 2.245 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.234 -0.125 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.555 -0.164 -7.866 1.00 0.00 H new ATOM 1047 N LYS A 69 17.255 2.705 -10.879 1.00 0.00 N ATOM 1048 CA LYS A 69 17.956 2.582 -12.147 1.00 0.00 C ATOM 1049 C LYS A 69 19.454 2.819 -11.946 1.00 0.00 C ATOM 1050 O LYS A 69 20.267 2.044 -12.447 1.00 0.00 O ATOM 1051 CB LYS A 69 17.361 3.570 -13.153 1.00 0.00 C ATOM 1052 CG LYS A 69 15.964 3.138 -13.617 1.00 0.00 C ATOM 1053 CD LYS A 69 15.228 4.283 -14.331 1.00 0.00 C ATOM 1054 CE LYS A 69 16.003 4.874 -15.516 1.00 0.00 C ATOM 1055 NZ LYS A 69 16.357 3.849 -16.512 1.00 0.00 N ATOM 0 H LYS A 69 16.595 3.482 -10.849 1.00 0.00 H new ATOM 0 HA LYS A 69 17.833 1.573 -12.541 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.304 4.560 -12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.022 3.652 -14.016 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.051 2.285 -14.290 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.380 2.809 -12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.264 3.918 -14.685 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.023 5.076 -13.611 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.402 5.649 -15.992 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.911 5.354 -15.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.804 4.303 -17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.020 3.169 -16.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.497 3.350 -16.817 1.00 0.00 H new ATOM 1069 N TRP A 70 19.825 3.865 -11.198 1.00 0.00 N ATOM 1070 CA TRP A 70 21.218 4.107 -10.830 1.00 0.00 C ATOM 1071 C TRP A 70 21.840 2.841 -10.226 1.00 0.00 C ATOM 1072 O TRP A 70 22.931 2.431 -10.617 1.00 0.00 O ATOM 1073 CB TRP A 70 21.302 5.285 -9.851 1.00 0.00 C ATOM 1074 CG TRP A 70 22.665 5.588 -9.319 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.535 6.463 -9.863 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.353 5.008 -8.168 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.707 6.465 -9.144 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.663 5.566 -8.100 1.00 0.00 C ATOM 1079 CE3 TRP A 70 23.010 4.063 -7.178 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.591 5.185 -7.122 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.939 3.658 -6.202 1.00 0.00 C ATOM 1082 CH2 TRP A 70 25.234 4.204 -6.183 1.00 0.00 C ATOM 0 H TRP A 70 19.172 4.560 -10.835 1.00 0.00 H new ATOM 0 HA TRP A 70 21.784 4.363 -11.725 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.920 6.176 -10.349 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.640 5.082 -9.009 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.340 7.072 -10.734 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.509 7.058 -9.357 1.00 0.00 H new ATOM 0 HE3 TRP A 70 22.015 3.642 -7.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.570 5.641 -7.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.655 2.923 -5.463 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.952 3.870 -5.449 1.00 0.00 H new ATOM 1093 N LEU A 71 21.134 2.220 -9.281 1.00 0.00 N ATOM 1094 CA LEU A 71 21.561 1.008 -8.598 1.00 0.00 C ATOM 1095 C LEU A 71 21.764 -0.103 -9.618 1.00 0.00 C ATOM 1096 O LEU A 71 22.816 -0.735 -9.635 1.00 0.00 O ATOM 1097 CB LEU A 71 20.522 0.597 -7.540 1.00 0.00 C ATOM 1098 CG LEU A 71 21.116 0.579 -6.127 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.974 0.658 -5.113 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.931 -0.700 -5.907 1.00 0.00 C ATOM 0 H LEU A 71 20.226 2.559 -8.964 1.00 0.00 H new ATOM 0 HA LEU A 71 22.506 1.194 -8.087 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.681 1.289 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 71 20.131 -0.391 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 71 21.782 1.432 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.383 0.646 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.414 1.580 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.310 -0.196 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.346 -0.698 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.285 -1.569 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.742 -0.744 -6.634 1.00 0.00 H new ATOM 1112 N ASN A 72 20.763 -0.341 -10.470 1.00 0.00 N ATOM 1113 CA ASN A 72 20.851 -1.364 -11.504 1.00 0.00 C ATOM 1114 C ASN A 72 22.079 -1.127 -12.384 1.00 0.00 C ATOM 1115 O ASN A 72 22.796 -2.076 -12.695 1.00 0.00 O ATOM 1116 CB ASN A 72 19.566 -1.384 -12.343 1.00 0.00 C ATOM 1117 CG ASN A 72 19.389 -2.638 -13.208 1.00 0.00 C ATOM 1118 OD1 ASN A 72 18.263 -2.971 -13.560 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.449 -3.360 -13.572 1.00 0.00 N ATOM 0 H ASN A 72 19.879 0.167 -10.460 1.00 0.00 H new ATOM 0 HA ASN A 72 20.960 -2.338 -11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.710 -1.296 -11.675 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.557 -0.507 -12.991 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.325 -4.194 -14.146 1.00 0.00 H new ATOM 0 HD22 ASN A 72 21.384 -3.078 -13.276 1.00 0.00 H new ATOM 1126 N ASP A 73 22.302 0.120 -12.807 1.00 0.00 N ATOM 1127 CA ASP A 73 23.426 0.477 -13.661 1.00 0.00 C ATOM 1128 C ASP A 73 24.753 0.212 -12.946 1.00 0.00 C ATOM 1129 O ASP A 73 25.613 -0.490 -13.471 1.00 0.00 O ATOM 1130 CB ASP A 73 23.308 1.944 -14.091 1.00 0.00 C ATOM 1131 CG ASP A 73 24.460 2.340 -15.008 1.00 0.00 C ATOM 1132 OD1 ASP A 73 25.500 2.771 -14.465 1.00 0.00 O ATOM 1133 OD2 ASP A 73 24.278 2.206 -16.238 1.00 0.00 O ATOM 0 H ASP A 73 21.703 0.909 -12.563 1.00 0.00 H new ATOM 0 HA ASP A 73 23.405 -0.146 -14.555 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.359 2.101 -14.605 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.303 2.586 -13.210 1.00 0.00 H new ATOM 1138 N ALA A 74 24.918 0.784 -11.751 1.00 0.00 N ATOM 1139 CA ALA A 74 26.137 0.660 -10.963 1.00 0.00 C ATOM 1140 C ALA A 74 26.434 -0.810 -10.661 1.00 0.00 C ATOM 1141 O ALA A 74 27.547 -1.288 -10.869 1.00 0.00 O ATOM 1142 CB ALA A 74 25.994 1.475 -9.673 1.00 0.00 C ATOM 0 H ALA A 74 24.199 1.351 -11.302 1.00 0.00 H new ATOM 0 HA ALA A 74 26.979 1.053 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.905 1.383 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.826 2.523 -9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.149 1.099 -9.097 1.00 0.00 H new ATOM 1148 N GLU A 75 25.427 -1.529 -10.164 1.00 0.00 N ATOM 1149 CA GLU A 75 25.510 -2.948 -9.872 1.00 0.00 C ATOM 1150 C GLU A 75 25.367 -3.718 -11.188 1.00 0.00 C ATOM 1151 O GLU A 75 24.709 -4.756 -11.253 1.00 0.00 O ATOM 1152 CB GLU A 75 24.435 -3.295 -8.827 1.00 0.00 C ATOM 1153 CG GLU A 75 24.715 -4.609 -8.087 1.00 0.00 C ATOM 1154 CD GLU A 75 23.692 -4.832 -6.977 1.00 0.00 C ATOM 1155 OE1 GLU A 75 22.604 -5.353 -7.303 1.00 0.00 O ATOM 1156 OE2 GLU A 75 24.012 -4.464 -5.827 1.00 0.00 O ATOM 0 H GLU A 75 24.514 -1.126 -9.951 1.00 0.00 H new ATOM 0 HA GLU A 75 26.470 -3.230 -9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.367 -2.484 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.466 -3.363 -9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.684 -5.442 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.719 -4.587 -7.664 1.00 0.00 H new TER 1163 GLU A 75