USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 651 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 72 SER OG : rot -59:sc= -0.0365 USER MOD Set 1.2: A 73 THR OG1 : rot 26:sc= 1.12 USER MOD Set 2.1: A 16 THR OG1 : rot 79:sc= 1.43 USER MOD Set 2.2: A 67 GLN :FLIP amide:sc= 0.181 F(o=1.6,f=2.9) USER MOD Set 2.3: A 71 SER OG : rot -147:sc= 1.33 USER MOD Set 3.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 63 GLN :FLIP amide:sc= -3.54! C(o=-5.6!,f=-3.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -76:sc= 0.561 USER MOD Single : A 15 THR OG1 : rot 96:sc= 1.05 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -15:sc= 0.869! USER MOD Single : A 24 THR OG1 : rot 72:sc= -0.67! USER MOD Single : A 37 SER OG : rot -102:sc= 0.86 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 72:sc= 0.477 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= -0.917 (180deg=-1.09) USER MOD Single : A 77 ASN : amide:sc= -3.66! C(o=-3.7!,f=-8.4!) USER MOD Single : A 80 LYS NZ :NH3+ -114:sc= -0.09 (180deg=-1.13) USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= -0.0401 (180deg=-0.405) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -0.649 -2.840 -0.804 1.00 0.00 N ATOM 55 CA PRO A 4 -0.897 -2.450 0.629 1.00 0.00 C ATOM 56 C PRO A 4 0.398 -2.133 1.401 1.00 0.00 C ATOM 57 O PRO A 4 0.707 -2.782 2.401 1.00 0.00 O ATOM 58 CB PRO A 4 -1.608 -3.683 1.228 1.00 0.00 C ATOM 59 CG PRO A 4 -2.168 -4.428 0.061 1.00 0.00 C ATOM 60 CD PRO A 4 -1.216 -4.169 -1.106 1.00 0.00 C ATOM 0 HA PRO A 4 -1.483 -1.534 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.910 -4.303 1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.397 -3.384 1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.238 -5.494 0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.175 -4.083 -0.174 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.440 -4.932 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.742 -4.173 -2.061 1.00 0.00 H new ATOM 68 N LYS A 5 1.151 -1.144 0.934 1.00 0.00 N ATOM 69 CA LYS A 5 2.399 -0.775 1.591 1.00 0.00 C ATOM 70 C LYS A 5 2.123 0.038 2.855 1.00 0.00 C ATOM 71 O LYS A 5 3.034 0.325 3.630 1.00 0.00 O ATOM 72 CB LYS A 5 3.270 0.049 0.625 1.00 0.00 C ATOM 73 CG LYS A 5 4.755 -0.027 1.043 1.00 0.00 C ATOM 74 CD LYS A 5 5.410 -1.266 0.415 1.00 0.00 C ATOM 75 CE LYS A 5 6.887 -1.354 0.831 1.00 0.00 C ATOM 76 NZ LYS A 5 7.716 -0.550 -0.111 1.00 0.00 N ATOM 0 H LYS A 5 0.922 -0.588 0.110 1.00 0.00 H new ATOM 0 HA LYS A 5 2.926 -1.687 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.152 -0.326 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.939 1.087 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.279 0.874 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.835 -0.073 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.881 -2.165 0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.333 -1.216 -0.671 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.012 -0.985 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.216 -2.393 0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.716 -0.609 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.605 -0.922 -1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.407 0.443 -0.085 1.00 0.00 H new ATOM 90 N THR A 6 0.860 0.422 3.044 1.00 0.00 N ATOM 91 CA THR A 6 0.463 1.220 4.210 1.00 0.00 C ATOM 92 C THR A 6 -0.424 0.410 5.154 1.00 0.00 C ATOM 93 O THR A 6 -0.451 0.666 6.358 1.00 0.00 O ATOM 94 CB THR A 6 -0.298 2.472 3.744 1.00 0.00 C ATOM 95 OG1 THR A 6 -1.225 2.864 4.748 1.00 0.00 O ATOM 96 CG2 THR A 6 -1.052 2.167 2.447 1.00 0.00 C ATOM 0 H THR A 6 0.095 0.196 2.408 1.00 0.00 H new ATOM 0 HA THR A 6 1.365 1.511 4.748 1.00 0.00 H new ATOM 0 HB THR A 6 0.413 3.279 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.709 3.663 4.452 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.590 3.057 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.342 1.868 1.675 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.761 1.358 2.620 1.00 0.00 H new ATOM 104 N LEU A 7 -1.151 -0.565 4.611 1.00 0.00 N ATOM 105 CA LEU A 7 -2.034 -1.399 5.432 1.00 0.00 C ATOM 106 C LEU A 7 -1.272 -2.605 5.995 1.00 0.00 C ATOM 107 O LEU A 7 -1.235 -2.812 7.204 1.00 0.00 O ATOM 108 CB LEU A 7 -3.239 -1.871 4.583 1.00 0.00 C ATOM 109 CG LEU A 7 -4.454 -0.962 4.815 1.00 0.00 C ATOM 110 CD1 LEU A 7 -4.146 0.454 4.326 1.00 0.00 C ATOM 111 CD2 LEU A 7 -5.657 -1.515 4.046 1.00 0.00 C ATOM 0 H LEU A 7 -1.149 -0.797 3.618 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.397 -0.807 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.971 -1.865 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.493 -2.899 4.842 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.681 -0.932 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.013 1.093 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.291 0.850 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.914 0.429 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.521 -0.871 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.425 -1.547 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.883 -2.521 4.399 1.00 0.00 H new ATOM 123 N LEU A 8 -0.671 -3.391 5.106 1.00 0.00 N ATOM 124 CA LEU A 8 0.078 -4.577 5.521 1.00 0.00 C ATOM 125 C LEU A 8 1.267 -4.189 6.399 1.00 0.00 C ATOM 126 O LEU A 8 1.594 -4.887 7.357 1.00 0.00 O ATOM 127 CB LEU A 8 0.564 -5.358 4.292 1.00 0.00 C ATOM 128 CG LEU A 8 1.231 -6.672 4.729 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.213 -7.576 5.454 1.00 0.00 C ATOM 130 CD2 LEU A 8 1.779 -7.389 3.488 1.00 0.00 C ATOM 0 H LEU A 8 -0.687 -3.231 4.099 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.588 -5.213 6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.276 -5.570 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.271 -4.754 3.724 1.00 0.00 H new ATOM 0 HG LEU A 8 2.046 -6.452 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.700 -8.503 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.168 -7.061 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.614 -7.804 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.254 -8.323 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.961 -7.603 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.512 -6.751 2.993 1.00 0.00 H new ATOM 142 N ARG A 9 1.910 -3.080 6.068 1.00 0.00 N ATOM 143 CA ARG A 9 3.059 -2.616 6.837 1.00 0.00 C ATOM 144 C ARG A 9 2.680 -2.424 8.305 1.00 0.00 C ATOM 145 O ARG A 9 3.546 -2.348 9.175 1.00 0.00 O ATOM 146 CB ARG A 9 3.582 -1.297 6.255 1.00 0.00 C ATOM 147 CG ARG A 9 5.038 -1.040 6.722 1.00 0.00 C ATOM 148 CD ARG A 9 6.028 -1.501 5.645 1.00 0.00 C ATOM 149 NE ARG A 9 5.871 -2.939 5.401 1.00 0.00 N ATOM 150 CZ ARG A 9 5.247 -3.423 4.333 1.00 0.00 C ATOM 151 NH1 ARG A 9 4.735 -2.608 3.452 1.00 0.00 N ATOM 152 NH2 ARG A 9 5.145 -4.713 4.165 1.00 0.00 N ATOM 0 H ARG A 9 1.659 -2.486 5.277 1.00 0.00 H new ATOM 0 HA ARG A 9 3.844 -3.370 6.776 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.543 -1.332 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.941 -0.474 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.180 0.021 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.228 -1.573 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.858 -0.947 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.049 -1.287 5.962 1.00 0.00 H new ATOM 0 HE ARG A 9 6.257 -3.595 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.814 -1.600 3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.256 -2.979 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.545 -5.350 4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.666 -5.084 3.345 1.00 0.00 H new ATOM 166 N VAL A 10 1.379 -2.340 8.568 1.00 0.00 N ATOM 167 CA VAL A 10 0.896 -2.146 9.932 1.00 0.00 C ATOM 168 C VAL A 10 1.448 -3.230 10.855 1.00 0.00 C ATOM 169 O VAL A 10 1.722 -2.970 12.023 1.00 0.00 O ATOM 170 CB VAL A 10 -0.639 -2.192 9.956 1.00 0.00 C ATOM 171 CG1 VAL A 10 -1.132 -3.624 9.680 1.00 0.00 C ATOM 172 CG2 VAL A 10 -1.144 -1.721 11.328 1.00 0.00 C ATOM 0 H VAL A 10 0.646 -2.403 7.862 1.00 0.00 H new ATOM 0 HA VAL A 10 1.239 -1.172 10.283 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.028 -1.533 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.222 -3.644 9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.781 -3.947 8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.743 -4.296 10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.233 -1.753 11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.749 -2.375 12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.809 -0.700 11.508 1.00 0.00 H new ATOM 182 N SER A 11 1.592 -4.446 10.339 1.00 0.00 N ATOM 183 CA SER A 11 2.095 -5.548 11.153 1.00 0.00 C ATOM 184 C SER A 11 3.454 -5.205 11.762 1.00 0.00 C ATOM 185 O SER A 11 3.668 -5.395 12.960 1.00 0.00 O ATOM 186 CB SER A 11 2.237 -6.800 10.288 1.00 0.00 C ATOM 187 OG SER A 11 3.127 -6.522 9.214 1.00 0.00 O ATOM 0 H SER A 11 1.371 -4.692 9.374 1.00 0.00 H new ATOM 0 HA SER A 11 1.385 -5.727 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.615 -7.629 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.264 -7.103 9.902 1.00 0.00 H new ATOM 0 HG SER A 11 2.665 -5.984 8.537 1.00 0.00 H new ATOM 193 N ILE A 12 4.366 -4.696 10.940 1.00 0.00 N ATOM 194 CA ILE A 12 5.692 -4.334 11.432 1.00 0.00 C ATOM 195 C ILE A 12 5.593 -3.167 12.409 1.00 0.00 C ATOM 196 O ILE A 12 6.180 -3.199 13.489 1.00 0.00 O ATOM 197 CB ILE A 12 6.598 -3.953 10.258 1.00 0.00 C ATOM 198 CG1 ILE A 12 6.557 -5.058 9.189 1.00 0.00 C ATOM 199 CG2 ILE A 12 8.035 -3.770 10.750 1.00 0.00 C ATOM 200 CD1 ILE A 12 6.894 -6.423 9.801 1.00 0.00 C ATOM 0 H ILE A 12 4.216 -4.526 9.945 1.00 0.00 H new ATOM 0 HA ILE A 12 6.119 -5.192 11.951 1.00 0.00 H new ATOM 0 HB ILE A 12 6.244 -3.018 9.824 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.567 -5.093 8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.265 -4.827 8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.675 -3.499 9.911 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.065 -2.979 11.499 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.390 -4.701 11.191 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.859 -7.188 9.026 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.894 -6.391 10.234 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.169 -6.662 10.580 1.00 0.00 H new ATOM 212 N ILE A 13 4.847 -2.139 12.021 1.00 0.00 N ATOM 213 CA ILE A 13 4.680 -0.965 12.870 1.00 0.00 C ATOM 214 C ILE A 13 4.005 -1.341 14.186 1.00 0.00 C ATOM 215 O ILE A 13 4.443 -0.929 15.259 1.00 0.00 O ATOM 216 CB ILE A 13 3.836 0.082 12.142 1.00 0.00 C ATOM 217 CG1 ILE A 13 4.515 0.454 10.820 1.00 0.00 C ATOM 218 CG2 ILE A 13 3.700 1.330 13.013 1.00 0.00 C ATOM 219 CD1 ILE A 13 3.534 1.237 9.946 1.00 0.00 C ATOM 0 H ILE A 13 4.351 -2.094 11.131 1.00 0.00 H new ATOM 0 HA ILE A 13 5.665 -0.554 13.089 1.00 0.00 H new ATOM 0 HB ILE A 13 2.846 -0.328 11.942 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.405 1.053 11.012 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.842 -0.447 10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.098 2.074 12.491 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.216 1.066 13.953 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.689 1.741 13.217 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.016 1.502 9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.657 0.623 9.743 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.229 2.145 10.466 1.00 0.00 H new ATOM 231 N GLY A 14 2.942 -2.131 14.097 1.00 0.00 N ATOM 232 CA GLY A 14 2.225 -2.563 15.290 1.00 0.00 C ATOM 233 C GLY A 14 3.100 -3.480 16.137 1.00 0.00 C ATOM 234 O GLY A 14 3.136 -3.368 17.361 1.00 0.00 O ATOM 0 H GLY A 14 2.560 -2.483 13.219 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.925 -1.694 15.876 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.312 -3.085 15.004 1.00 0.00 H new ATOM 238 N THR A 15 3.806 -4.388 15.469 1.00 0.00 N ATOM 239 CA THR A 15 4.683 -5.326 16.160 1.00 0.00 C ATOM 240 C THR A 15 5.831 -4.592 16.844 1.00 0.00 C ATOM 241 O THR A 15 6.460 -5.126 17.757 1.00 0.00 O ATOM 242 CB THR A 15 5.257 -6.341 15.168 1.00 0.00 C ATOM 243 OG1 THR A 15 4.196 -7.076 14.573 1.00 0.00 O ATOM 244 CG2 THR A 15 6.194 -7.300 15.906 1.00 0.00 C ATOM 0 H THR A 15 3.788 -4.493 14.455 1.00 0.00 H new ATOM 0 HA THR A 15 4.092 -5.844 16.915 1.00 0.00 H new ATOM 0 HB THR A 15 5.813 -5.816 14.391 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.963 -6.674 13.710 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.603 -8.023 15.201 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.008 -6.735 16.360 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.639 -7.825 16.683 1.00 0.00 H new ATOM 252 N THR A 16 6.092 -3.364 16.408 1.00 0.00 N ATOM 253 CA THR A 16 7.164 -2.566 16.999 1.00 0.00 C ATOM 254 C THR A 16 6.657 -1.824 18.228 1.00 0.00 C ATOM 255 O THR A 16 7.388 -1.628 19.198 1.00 0.00 O ATOM 256 CB THR A 16 7.690 -1.548 15.981 1.00 0.00 C ATOM 257 OG1 THR A 16 7.898 -2.189 14.732 1.00 0.00 O ATOM 258 CG2 THR A 16 9.013 -0.969 16.486 1.00 0.00 C ATOM 0 H THR A 16 5.582 -2.902 15.655 1.00 0.00 H new ATOM 0 HA THR A 16 7.970 -3.240 17.290 1.00 0.00 H new ATOM 0 HB THR A 16 6.963 -0.746 15.857 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.039 -2.295 14.272 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.392 -0.244 15.765 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.852 -0.477 17.445 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.739 -1.773 16.608 1.00 0.00 H new ATOM 266 N LEU A 17 5.395 -1.408 18.170 1.00 0.00 N ATOM 267 CA LEU A 17 4.777 -0.678 19.269 1.00 0.00 C ATOM 268 C LEU A 17 4.521 -1.594 20.462 1.00 0.00 C ATOM 269 O LEU A 17 4.549 -1.149 21.611 1.00 0.00 O ATOM 270 CB LEU A 17 3.449 -0.058 18.809 1.00 0.00 C ATOM 271 CG LEU A 17 2.862 0.843 19.913 1.00 0.00 C ATOM 272 CD1 LEU A 17 3.748 2.083 20.126 1.00 0.00 C ATOM 273 CD2 LEU A 17 1.455 1.287 19.499 1.00 0.00 C ATOM 0 H LEU A 17 4.780 -1.565 17.371 1.00 0.00 H new ATOM 0 HA LEU A 17 5.464 0.110 19.576 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.608 0.525 17.902 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.739 -0.847 18.560 1.00 0.00 H new ATOM 0 HG LEU A 17 2.820 0.281 20.846 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.318 2.707 20.909 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.749 1.769 20.421 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.806 2.653 19.198 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.032 1.925 20.275 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.509 1.842 18.562 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.821 0.410 19.365 1.00 0.00 H new ATOM 285 N VAL A 18 4.229 -2.861 20.187 1.00 0.00 N ATOM 286 CA VAL A 18 3.918 -3.797 21.260 1.00 0.00 C ATOM 287 C VAL A 18 5.043 -3.809 22.298 1.00 0.00 C ATOM 288 O VAL A 18 4.809 -3.583 23.486 1.00 0.00 O ATOM 289 CB VAL A 18 3.724 -5.207 20.666 1.00 0.00 C ATOM 290 CG1 VAL A 18 3.831 -6.277 21.764 1.00 0.00 C ATOM 291 CG2 VAL A 18 2.341 -5.296 20.005 1.00 0.00 C ATOM 0 H VAL A 18 4.201 -3.258 19.248 1.00 0.00 H new ATOM 0 HA VAL A 18 2.999 -3.484 21.755 1.00 0.00 H new ATOM 0 HB VAL A 18 4.504 -5.384 19.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.691 -7.265 21.324 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.815 -6.223 22.230 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.063 -6.103 22.517 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.202 -6.292 19.585 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.569 -5.106 20.750 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.269 -4.553 19.210 1.00 0.00 H new ATOM 301 N ALA A 19 6.259 -4.084 21.835 1.00 0.00 N ATOM 302 CA ALA A 19 7.422 -4.142 22.714 1.00 0.00 C ATOM 303 C ALA A 19 7.723 -2.788 23.353 1.00 0.00 C ATOM 304 O ALA A 19 8.180 -2.727 24.494 1.00 0.00 O ATOM 305 CB ALA A 19 8.643 -4.613 21.921 1.00 0.00 C ATOM 0 H ALA A 19 6.465 -4.271 20.853 1.00 0.00 H new ATOM 0 HA ALA A 19 7.197 -4.847 23.514 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.510 -4.655 22.580 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.450 -5.604 21.511 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.839 -3.915 21.107 1.00 0.00 H new ATOM 311 N LEU A 20 7.468 -1.710 22.625 1.00 0.00 N ATOM 312 CA LEU A 20 7.726 -0.377 23.162 1.00 0.00 C ATOM 313 C LEU A 20 6.796 -0.071 24.336 1.00 0.00 C ATOM 314 O LEU A 20 7.244 0.374 25.393 1.00 0.00 O ATOM 315 CB LEU A 20 7.538 0.674 22.065 1.00 0.00 C ATOM 316 CG LEU A 20 8.694 0.593 21.050 1.00 0.00 C ATOM 317 CD1 LEU A 20 8.317 1.384 19.790 1.00 0.00 C ATOM 318 CD2 LEU A 20 9.989 1.179 21.656 1.00 0.00 C ATOM 0 H LEU A 20 7.090 -1.727 21.678 1.00 0.00 H new ATOM 0 HA LEU A 20 8.755 -0.347 23.521 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.587 0.515 21.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.501 1.670 22.507 1.00 0.00 H new ATOM 0 HG LEU A 20 8.868 -0.453 20.796 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.132 1.330 19.069 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.415 0.959 19.350 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.136 2.426 20.055 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.795 1.113 20.925 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.826 2.223 21.923 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.261 0.614 22.548 1.00 0.00 H new ATOM 330 N SER A 21 5.499 -0.311 24.147 1.00 0.00 N ATOM 331 CA SER A 21 4.523 -0.055 25.204 1.00 0.00 C ATOM 332 C SER A 21 4.625 -1.112 26.301 1.00 0.00 C ATOM 333 O SER A 21 4.476 -0.819 27.480 1.00 0.00 O ATOM 334 CB SER A 21 3.108 -0.038 24.624 1.00 0.00 C ATOM 335 OG SER A 21 3.011 1.013 23.672 1.00 0.00 O ATOM 0 H SER A 21 5.103 -0.678 23.282 1.00 0.00 H new ATOM 0 HA SER A 21 4.740 0.920 25.641 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.883 -0.995 24.153 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.377 0.106 25.419 1.00 0.00 H new ATOM 0 HG SER A 21 2.107 1.030 23.294 1.00 0.00 H new ATOM 341 N SER A 22 4.863 -2.345 25.885 1.00 0.00 N ATOM 342 CA SER A 22 4.966 -3.463 26.825 1.00 0.00 C ATOM 343 C SER A 22 5.935 -3.158 27.973 1.00 0.00 C ATOM 344 O SER A 22 6.126 -3.992 28.856 1.00 0.00 O ATOM 345 CB SER A 22 5.420 -4.727 26.103 1.00 0.00 C ATOM 346 OG SER A 22 5.593 -5.772 27.050 1.00 0.00 O ATOM 0 H SER A 22 4.989 -2.603 24.906 1.00 0.00 H new ATOM 0 HA SER A 22 3.973 -3.617 27.248 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.682 -5.017 25.355 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.355 -4.542 25.574 1.00 0.00 H new ATOM 0 HG SER A 22 5.619 -5.394 27.954 1.00 0.00 H new ATOM 352 N PHE A 23 6.537 -1.963 27.975 1.00 0.00 N ATOM 353 CA PHE A 23 7.465 -1.581 29.046 1.00 0.00 C ATOM 354 C PHE A 23 6.782 -0.634 30.042 1.00 0.00 C ATOM 355 O PHE A 23 7.226 -0.496 31.182 1.00 0.00 O ATOM 356 CB PHE A 23 8.712 -0.901 28.436 1.00 0.00 C ATOM 357 CG PHE A 23 9.762 -1.947 28.112 1.00 0.00 C ATOM 358 CD1 PHE A 23 10.340 -2.685 29.153 1.00 0.00 C ATOM 359 CD2 PHE A 23 10.152 -2.181 26.788 1.00 0.00 C ATOM 360 CE1 PHE A 23 11.309 -3.655 28.869 1.00 0.00 C ATOM 361 CE2 PHE A 23 11.121 -3.152 26.504 1.00 0.00 C ATOM 362 CZ PHE A 23 11.698 -3.889 27.545 1.00 0.00 C ATOM 0 H PHE A 23 6.401 -1.252 27.257 1.00 0.00 H new ATOM 0 HA PHE A 23 7.770 -2.480 29.582 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.436 -0.358 27.532 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.118 -0.170 29.136 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.038 -2.506 30.174 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.706 -1.613 25.985 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.756 -4.223 29.672 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.423 -3.332 25.483 1.00 0.00 H new ATOM 0 HZ PHE A 23 12.444 -4.639 27.326 1.00 0.00 H new ATOM 372 N THR A 24 5.712 0.022 29.600 1.00 0.00 N ATOM 373 CA THR A 24 4.989 0.960 30.459 1.00 0.00 C ATOM 374 C THR A 24 4.347 0.234 31.651 1.00 0.00 C ATOM 375 O THR A 24 4.439 0.695 32.789 1.00 0.00 O ATOM 376 CB THR A 24 3.909 1.709 29.628 1.00 0.00 C ATOM 377 OG1 THR A 24 4.014 1.315 28.269 1.00 0.00 O ATOM 378 CG2 THR A 24 4.109 3.229 29.715 1.00 0.00 C ATOM 0 H THR A 24 5.328 -0.076 28.660 1.00 0.00 H new ATOM 0 HA THR A 24 5.699 1.686 30.856 1.00 0.00 H new ATOM 0 HB THR A 24 2.927 1.457 30.029 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.697 0.393 28.170 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.342 3.731 29.126 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.034 3.547 30.755 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.093 3.489 29.326 1.00 0.00 H new ATOM 386 N PRO A 25 3.698 -0.881 31.409 1.00 0.00 N ATOM 387 CA PRO A 25 3.028 -1.672 32.485 1.00 0.00 C ATOM 388 C PRO A 25 3.969 -1.999 33.643 1.00 0.00 C ATOM 389 O PRO A 25 3.528 -2.425 34.703 1.00 0.00 O ATOM 390 CB PRO A 25 2.562 -2.953 31.769 1.00 0.00 C ATOM 391 CG PRO A 25 2.460 -2.579 30.327 1.00 0.00 C ATOM 392 CD PRO A 25 3.528 -1.510 30.088 1.00 0.00 C ATOM 0 HA PRO A 25 2.210 -1.117 32.944 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.272 -3.767 31.916 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.602 -3.294 32.156 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.626 -3.446 29.687 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.467 -2.196 30.093 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.460 -1.948 29.731 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.209 -0.786 29.338 1.00 0.00 H new ATOM 400 N VAL A 26 5.265 -1.820 33.425 1.00 0.00 N ATOM 401 CA VAL A 26 6.246 -2.106 34.466 1.00 0.00 C ATOM 402 C VAL A 26 6.196 -1.035 35.560 1.00 0.00 C ATOM 403 O VAL A 26 6.290 -1.327 36.752 1.00 0.00 O ATOM 404 CB VAL A 26 7.646 -2.166 33.856 1.00 0.00 C ATOM 405 CG1 VAL A 26 8.670 -2.465 34.952 1.00 0.00 C ATOM 406 CG2 VAL A 26 7.682 -3.278 32.805 1.00 0.00 C ATOM 0 H VAL A 26 5.660 -1.482 32.547 1.00 0.00 H new ATOM 0 HA VAL A 26 6.008 -3.070 34.915 1.00 0.00 H new ATOM 0 HB VAL A 26 7.887 -1.210 33.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.668 -2.508 34.516 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.637 -1.678 35.706 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.436 -3.423 35.417 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.677 -3.329 32.363 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.445 -4.232 33.276 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.950 -3.066 32.026 1.00 0.00 H new ATOM 416 N LEU A 27 6.088 0.216 35.120 1.00 0.00 N ATOM 417 CA LEU A 27 6.056 1.365 36.027 1.00 0.00 C ATOM 418 C LEU A 27 4.752 1.452 36.834 1.00 0.00 C ATOM 419 O LEU A 27 4.771 1.822 38.008 1.00 0.00 O ATOM 420 CB LEU A 27 6.231 2.657 35.224 1.00 0.00 C ATOM 421 CG LEU A 27 7.611 2.680 34.547 1.00 0.00 C ATOM 422 CD1 LEU A 27 7.705 3.923 33.655 1.00 0.00 C ATOM 423 CD2 LEU A 27 8.731 2.712 35.604 1.00 0.00 C ATOM 0 H LEU A 27 6.021 0.463 34.133 1.00 0.00 H new ATOM 0 HA LEU A 27 6.873 1.232 36.736 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.447 2.734 34.471 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.127 3.520 35.882 1.00 0.00 H new ATOM 0 HG LEU A 27 7.732 1.779 33.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.681 3.949 33.169 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.923 3.887 32.897 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.578 4.818 34.264 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.701 2.728 35.106 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.625 3.605 36.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.661 1.826 36.235 1.00 0.00 H new ATOM 435 N VAL A 28 3.619 1.142 36.203 1.00 0.00 N ATOM 436 CA VAL A 28 2.328 1.233 36.895 1.00 0.00 C ATOM 437 C VAL A 28 2.232 0.222 38.041 1.00 0.00 C ATOM 438 O VAL A 28 1.747 0.546 39.124 1.00 0.00 O ATOM 439 CB VAL A 28 1.170 1.020 35.907 1.00 0.00 C ATOM 440 CG1 VAL A 28 1.414 1.848 34.641 1.00 0.00 C ATOM 441 CG2 VAL A 28 1.065 -0.458 35.535 1.00 0.00 C ATOM 0 H VAL A 28 3.565 0.831 35.233 1.00 0.00 H new ATOM 0 HA VAL A 28 2.254 2.234 37.320 1.00 0.00 H new ATOM 0 HB VAL A 28 0.240 1.338 36.378 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.592 1.695 33.942 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.476 2.904 34.903 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.348 1.534 34.176 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.242 -0.599 34.835 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.996 -0.783 35.071 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.882 -1.047 36.434 1.00 0.00 H new ATOM 451 N ILE A 29 2.690 -1.004 37.793 1.00 0.00 N ATOM 452 CA ILE A 29 2.641 -2.048 38.815 1.00 0.00 C ATOM 453 C ILE A 29 3.594 -1.729 39.962 1.00 0.00 C ATOM 454 O ILE A 29 3.310 -2.035 41.117 1.00 0.00 O ATOM 455 CB ILE A 29 2.985 -3.412 38.207 1.00 0.00 C ATOM 456 CG1 ILE A 29 4.386 -3.357 37.588 1.00 0.00 C ATOM 457 CG2 ILE A 29 1.947 -3.763 37.134 1.00 0.00 C ATOM 458 CD1 ILE A 29 4.761 -4.718 36.991 1.00 0.00 C ATOM 0 H ILE A 29 3.095 -1.297 36.904 1.00 0.00 H new ATOM 0 HA ILE A 29 1.626 -2.086 39.210 1.00 0.00 H new ATOM 0 HB ILE A 29 2.971 -4.177 38.983 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.418 -2.592 36.813 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.115 -3.073 38.347 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.188 -4.733 36.698 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.956 -3.804 37.586 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.959 -3.002 36.354 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.759 -4.662 36.556 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.749 -5.475 37.775 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.042 -4.986 36.217 1.00 0.00 H new ATOM 470 N LEU A 30 4.727 -1.115 39.635 1.00 0.00 N ATOM 471 CA LEU A 30 5.720 -0.766 40.644 1.00 0.00 C ATOM 472 C LEU A 30 5.134 0.193 41.671 1.00 0.00 C ATOM 473 O LEU A 30 5.379 0.049 42.868 1.00 0.00 O ATOM 474 CB LEU A 30 6.944 -0.130 39.965 1.00 0.00 C ATOM 475 CG LEU A 30 8.029 0.240 41.018 1.00 0.00 C ATOM 476 CD1 LEU A 30 9.427 -0.036 40.451 1.00 0.00 C ATOM 477 CD2 LEU A 30 7.944 1.732 41.379 1.00 0.00 C ATOM 0 H LEU A 30 4.979 -0.850 38.683 1.00 0.00 H new ATOM 0 HA LEU A 30 6.025 -1.675 41.163 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.361 -0.823 39.234 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.640 0.764 39.420 1.00 0.00 H new ATOM 0 HG LEU A 30 7.855 -0.366 41.907 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.180 0.226 41.195 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.516 -1.093 40.201 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.580 0.563 39.553 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.710 1.972 42.116 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.102 2.333 40.483 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.960 1.950 41.794 1.00 0.00 H new ATOM 489 N LEU A 31 4.359 1.168 41.212 1.00 0.00 N ATOM 490 CA LEU A 31 3.754 2.128 42.125 1.00 0.00 C ATOM 491 C LEU A 31 2.809 1.410 43.090 1.00 0.00 C ATOM 492 O LEU A 31 2.785 1.706 44.284 1.00 0.00 O ATOM 493 CB LEU A 31 3.000 3.215 41.322 1.00 0.00 C ATOM 494 CG LEU A 31 3.233 4.614 41.931 1.00 0.00 C ATOM 495 CD1 LEU A 31 2.788 4.626 43.405 1.00 0.00 C ATOM 496 CD2 LEU A 31 4.728 5.012 41.816 1.00 0.00 C ATOM 0 H LEU A 31 4.137 1.314 40.227 1.00 0.00 H new ATOM 0 HA LEU A 31 4.537 2.612 42.709 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.336 3.205 40.285 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.933 2.991 41.313 1.00 0.00 H new ATOM 0 HG LEU A 31 2.640 5.342 41.377 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.956 5.617 43.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.728 4.380 43.467 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.365 3.890 43.965 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.876 6.001 42.250 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.340 4.286 42.351 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.020 5.029 40.766 1.00 0.00 H new ATOM 508 N GLY A 32 2.041 0.458 42.569 1.00 0.00 N ATOM 509 CA GLY A 32 1.113 -0.295 43.405 1.00 0.00 C ATOM 510 C GLY A 32 1.872 -1.169 44.399 1.00 0.00 C ATOM 511 O GLY A 32 1.476 -1.295 45.558 1.00 0.00 O ATOM 0 H GLY A 32 2.042 0.192 41.584 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.460 0.392 43.942 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.474 -0.918 42.779 1.00 0.00 H new ATOM 515 N VAL A 33 2.952 -1.786 43.931 1.00 0.00 N ATOM 516 CA VAL A 33 3.746 -2.664 44.782 1.00 0.00 C ATOM 517 C VAL A 33 4.267 -1.897 45.995 1.00 0.00 C ATOM 518 O VAL A 33 4.175 -2.371 47.127 1.00 0.00 O ATOM 519 CB VAL A 33 4.925 -3.240 43.981 1.00 0.00 C ATOM 520 CG1 VAL A 33 5.911 -3.942 44.926 1.00 0.00 C ATOM 521 CG2 VAL A 33 4.399 -4.255 42.953 1.00 0.00 C ATOM 0 H VAL A 33 3.295 -1.695 42.975 1.00 0.00 H new ATOM 0 HA VAL A 33 3.115 -3.482 45.130 1.00 0.00 H new ATOM 0 HB VAL A 33 5.437 -2.426 43.468 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.743 -4.347 44.349 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.290 -3.225 45.655 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.402 -4.753 45.446 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.235 -4.664 42.385 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.883 -5.063 43.471 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.706 -3.759 42.273 1.00 0.00 H new ATOM 531 N VAL A 34 4.809 -0.708 45.750 1.00 0.00 N ATOM 532 CA VAL A 34 5.333 0.119 46.830 1.00 0.00 C ATOM 533 C VAL A 34 4.193 0.633 47.705 1.00 0.00 C ATOM 534 O VAL A 34 4.304 0.669 48.930 1.00 0.00 O ATOM 535 CB VAL A 34 6.125 1.299 46.260 1.00 0.00 C ATOM 536 CG1 VAL A 34 6.700 2.128 47.411 1.00 0.00 C ATOM 537 CG2 VAL A 34 7.265 0.766 45.389 1.00 0.00 C ATOM 0 H VAL A 34 4.896 -0.298 44.820 1.00 0.00 H new ATOM 0 HA VAL A 34 5.999 -0.491 47.440 1.00 0.00 H new ATOM 0 HB VAL A 34 5.469 1.927 45.657 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.264 2.969 47.007 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.886 2.502 48.032 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.360 1.504 48.014 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.832 1.602 44.980 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.923 0.142 45.993 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.852 0.174 44.572 1.00 0.00 H new ATOM 547 N GLY A 35 3.102 1.042 47.061 1.00 0.00 N ATOM 548 CA GLY A 35 1.945 1.566 47.783 1.00 0.00 C ATOM 549 C GLY A 35 1.402 0.533 48.763 1.00 0.00 C ATOM 550 O GLY A 35 0.953 0.877 49.857 1.00 0.00 O ATOM 0 H GLY A 35 2.995 1.021 46.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.227 2.471 48.321 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.165 1.846 47.075 1.00 0.00 H new ATOM 554 N LEU A 36 1.449 -0.732 48.364 1.00 0.00 N ATOM 555 CA LEU A 36 0.964 -1.812 49.215 1.00 0.00 C ATOM 556 C LEU A 36 1.758 -1.847 50.517 1.00 0.00 C ATOM 557 O LEU A 36 1.267 -2.328 51.539 1.00 0.00 O ATOM 558 CB LEU A 36 1.080 -3.159 48.480 1.00 0.00 C ATOM 559 CG LEU A 36 -0.117 -3.350 47.518 1.00 0.00 C ATOM 560 CD1 LEU A 36 0.280 -4.298 46.378 1.00 0.00 C ATOM 561 CD2 LEU A 36 -1.309 -3.957 48.278 1.00 0.00 C ATOM 0 H LEU A 36 1.816 -1.035 47.462 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.085 -1.634 49.450 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.015 -3.197 47.920 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.108 -3.974 49.203 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.398 -2.379 47.111 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.566 -4.430 45.703 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.120 -3.874 45.828 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.568 -5.264 46.792 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.148 -4.088 47.594 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.023 -4.924 48.691 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.602 -3.289 49.088 1.00 0.00 H new ATOM 573 N SER A 37 2.982 -1.328 50.481 1.00 0.00 N ATOM 574 CA SER A 37 3.818 -1.302 51.674 1.00 0.00 C ATOM 575 C SER A 37 3.035 -0.710 52.841 1.00 0.00 C ATOM 576 O SER A 37 3.336 -0.964 53.997 1.00 0.00 O ATOM 577 CB SER A 37 5.064 -0.452 51.421 1.00 0.00 C ATOM 578 OG SER A 37 4.675 0.903 51.250 1.00 0.00 O ATOM 0 H SER A 37 3.412 -0.925 49.649 1.00 0.00 H new ATOM 0 HA SER A 37 4.118 -2.322 51.915 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.757 -0.542 52.258 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.588 -0.808 50.534 1.00 0.00 H new ATOM 0 HG SER A 37 4.690 1.130 50.297 1.00 0.00 H new ATOM 584 N ALA A 38 2.020 0.076 52.528 1.00 0.00 N ATOM 585 CA ALA A 38 1.208 0.683 53.579 1.00 0.00 C ATOM 586 C ALA A 38 0.825 -0.379 54.614 1.00 0.00 C ATOM 587 O ALA A 38 0.876 -0.139 55.820 1.00 0.00 O ATOM 588 CB ALA A 38 -0.057 1.301 52.980 1.00 0.00 C ATOM 0 H ALA A 38 1.738 0.309 51.576 1.00 0.00 H new ATOM 0 HA ALA A 38 1.788 1.468 54.064 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.654 1.750 53.774 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.220 2.068 52.256 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.640 0.526 52.482 1.00 0.00 H new ATOM 594 N LEU A 39 0.441 -1.549 54.114 1.00 0.00 N ATOM 595 CA LEU A 39 0.044 -2.662 54.979 1.00 0.00 C ATOM 596 C LEU A 39 1.237 -3.230 55.764 1.00 0.00 C ATOM 597 O LEU A 39 1.212 -3.255 56.995 1.00 0.00 O ATOM 598 CB LEU A 39 -0.586 -3.775 54.126 1.00 0.00 C ATOM 599 CG LEU A 39 -2.029 -3.392 53.724 1.00 0.00 C ATOM 600 CD1 LEU A 39 -2.428 -4.130 52.428 1.00 0.00 C ATOM 601 CD2 LEU A 39 -3.011 -3.770 54.850 1.00 0.00 C ATOM 0 H LEU A 39 0.395 -1.754 53.116 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.680 -2.283 55.700 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.015 -3.942 53.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.593 -4.711 54.685 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.071 -2.316 53.556 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.446 -3.855 52.151 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.746 -3.850 51.625 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.375 -5.206 52.591 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.024 -3.496 54.556 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.963 -4.844 55.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.741 -3.238 55.762 1.00 0.00 H new ATOM 613 N THR A 40 2.267 -3.695 55.060 1.00 0.00 N ATOM 614 CA THR A 40 3.437 -4.272 55.733 1.00 0.00 C ATOM 615 C THR A 40 4.319 -3.176 56.329 1.00 0.00 C ATOM 616 O THR A 40 4.717 -3.248 57.491 1.00 0.00 O ATOM 617 CB THR A 40 4.251 -5.099 54.736 1.00 0.00 C ATOM 618 OG1 THR A 40 3.375 -5.935 53.994 1.00 0.00 O ATOM 619 CG2 THR A 40 5.270 -5.965 55.481 1.00 0.00 C ATOM 0 H THR A 40 2.320 -3.686 54.041 1.00 0.00 H new ATOM 0 HA THR A 40 3.086 -4.912 56.542 1.00 0.00 H new ATOM 0 HB THR A 40 4.780 -4.426 54.061 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.893 -6.465 53.353 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.845 -6.550 54.763 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.944 -5.325 56.050 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.748 -6.637 56.161 1.00 0.00 H new ATOM 627 N GLY A 41 4.604 -2.161 55.529 1.00 0.00 N ATOM 628 CA GLY A 41 5.423 -1.038 55.972 1.00 0.00 C ATOM 629 C GLY A 41 6.908 -1.330 55.791 1.00 0.00 C ATOM 630 O GLY A 41 7.632 -0.557 55.165 1.00 0.00 O ATOM 0 H GLY A 41 4.280 -2.089 54.565 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.155 -0.145 55.408 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.217 -0.827 57.021 1.00 0.00 H new ATOM 634 N TYR A 42 7.358 -2.445 56.355 1.00 0.00 N ATOM 635 CA TYR A 42 8.763 -2.821 56.266 1.00 0.00 C ATOM 636 C TYR A 42 9.257 -2.808 54.822 1.00 0.00 C ATOM 637 O TYR A 42 8.937 -3.700 54.036 1.00 0.00 O ATOM 638 CB TYR A 42 8.964 -4.220 56.852 1.00 0.00 C ATOM 639 CG TYR A 42 8.791 -4.177 58.352 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.814 -3.658 59.156 1.00 0.00 C ATOM 641 CD2 TYR A 42 7.616 -4.661 58.939 1.00 0.00 C ATOM 642 CE1 TYR A 42 9.661 -3.624 60.547 1.00 0.00 C ATOM 643 CE2 TYR A 42 7.463 -4.625 60.330 1.00 0.00 C ATOM 644 CZ TYR A 42 8.486 -4.107 61.134 1.00 0.00 C ATOM 645 OH TYR A 42 8.335 -4.073 62.505 1.00 0.00 O ATOM 0 H TYR A 42 6.775 -3.100 56.875 1.00 0.00 H new ATOM 0 HA TYR A 42 9.338 -2.089 56.833 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.247 -4.914 56.414 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.959 -4.589 56.602 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.720 -3.284 58.703 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.828 -5.062 58.319 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.450 -3.225 61.167 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.556 -4.997 60.783 1.00 0.00 H new ATOM 0 HH TYR A 42 7.461 -4.445 62.747 1.00 0.00 H new ATOM 655 N LEU A 43 10.049 -1.794 54.482 1.00 0.00 N ATOM 656 CA LEU A 43 10.608 -1.657 53.140 1.00 0.00 C ATOM 657 C LEU A 43 11.670 -2.727 52.884 1.00 0.00 C ATOM 658 O LEU A 43 12.527 -2.564 52.014 1.00 0.00 O ATOM 659 CB LEU A 43 11.236 -0.249 52.954 1.00 0.00 C ATOM 660 CG LEU A 43 11.938 0.252 54.238 1.00 0.00 C ATOM 661 CD1 LEU A 43 10.916 0.707 55.314 1.00 0.00 C ATOM 662 CD2 LEU A 43 12.867 -0.844 54.792 1.00 0.00 C ATOM 0 H LEU A 43 10.320 -1.049 55.124 1.00 0.00 H new ATOM 0 HA LEU A 43 9.796 -1.785 52.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.956 -0.279 52.136 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.458 0.459 52.667 1.00 0.00 H new ATOM 0 HG LEU A 43 12.536 1.125 53.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.449 1.052 56.200 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.308 1.520 54.917 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.272 -0.131 55.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.357 -0.483 55.696 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.281 -1.733 55.027 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.621 -1.093 54.045 1.00 0.00 H new ATOM 674 N ASP A 44 11.613 -3.816 53.640 1.00 0.00 N ATOM 675 CA ASP A 44 12.581 -4.893 53.477 1.00 0.00 C ATOM 676 C ASP A 44 12.498 -5.495 52.073 1.00 0.00 C ATOM 677 O ASP A 44 13.520 -5.744 51.436 1.00 0.00 O ATOM 678 CB ASP A 44 12.318 -5.990 54.512 1.00 0.00 C ATOM 679 CG ASP A 44 13.383 -7.073 54.396 1.00 0.00 C ATOM 680 OD1 ASP A 44 14.403 -6.807 53.781 1.00 0.00 O ATOM 681 OD2 ASP A 44 13.174 -8.147 54.937 1.00 0.00 O ATOM 0 H ASP A 44 10.914 -3.976 54.365 1.00 0.00 H new ATOM 0 HA ASP A 44 13.578 -4.478 53.622 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.326 -5.565 55.516 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.329 -6.421 54.356 1.00 0.00 H new ATOM 686 N TYR A 45 11.271 -5.730 51.600 1.00 0.00 N ATOM 687 CA TYR A 45 11.051 -6.314 50.267 1.00 0.00 C ATOM 688 C TYR A 45 10.489 -5.270 49.297 1.00 0.00 C ATOM 689 O TYR A 45 9.512 -5.528 48.594 1.00 0.00 O ATOM 690 CB TYR A 45 10.081 -7.505 50.381 1.00 0.00 C ATOM 691 CG TYR A 45 10.831 -8.746 50.820 1.00 0.00 C ATOM 692 CD1 TYR A 45 11.150 -8.939 52.171 1.00 0.00 C ATOM 693 CD2 TYR A 45 11.212 -9.700 49.869 1.00 0.00 C ATOM 694 CE1 TYR A 45 11.849 -10.085 52.568 1.00 0.00 C ATOM 695 CE2 TYR A 45 11.909 -10.846 50.266 1.00 0.00 C ATOM 696 CZ TYR A 45 12.227 -11.040 51.615 1.00 0.00 C ATOM 697 OH TYR A 45 12.916 -12.169 52.007 1.00 0.00 O ATOM 0 H TYR A 45 10.415 -5.527 52.116 1.00 0.00 H new ATOM 0 HA TYR A 45 12.008 -6.659 49.876 1.00 0.00 H new ATOM 0 HB2 TYR A 45 9.292 -7.275 51.097 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.597 -7.683 49.421 1.00 0.00 H new ATOM 0 HD1 TYR A 45 10.857 -8.204 52.906 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.968 -9.551 48.828 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.097 -10.233 53.609 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.202 -11.581 49.531 1.00 0.00 H new ATOM 0 HH TYR A 45 13.100 -12.728 51.224 1.00 0.00 H new ATOM 707 N VAL A 46 11.106 -4.089 49.268 1.00 0.00 N ATOM 708 CA VAL A 46 10.662 -3.005 48.380 1.00 0.00 C ATOM 709 C VAL A 46 11.772 -2.625 47.397 1.00 0.00 C ATOM 710 O VAL A 46 11.502 -2.312 46.237 1.00 0.00 O ATOM 711 CB VAL A 46 10.247 -1.788 49.220 1.00 0.00 C ATOM 712 CG1 VAL A 46 10.107 -0.546 48.331 1.00 0.00 C ATOM 713 CG2 VAL A 46 8.902 -2.080 49.892 1.00 0.00 C ATOM 0 H VAL A 46 11.913 -3.855 49.846 1.00 0.00 H new ATOM 0 HA VAL A 46 9.804 -3.349 47.803 1.00 0.00 H new ATOM 0 HB VAL A 46 11.012 -1.598 49.973 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.812 0.307 48.942 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.061 -0.335 47.848 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.348 -0.727 47.570 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.600 -1.221 50.491 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.148 -2.273 49.129 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.999 -2.954 50.536 1.00 0.00 H new ATOM 723 N LEU A 47 13.017 -2.655 47.864 1.00 0.00 N ATOM 724 CA LEU A 47 14.159 -2.314 47.013 1.00 0.00 C ATOM 725 C LEU A 47 14.642 -3.531 46.207 1.00 0.00 C ATOM 726 O LEU A 47 15.012 -3.405 45.040 1.00 0.00 O ATOM 727 CB LEU A 47 15.303 -1.749 47.888 1.00 0.00 C ATOM 728 CG LEU A 47 16.020 -0.599 47.164 1.00 0.00 C ATOM 729 CD1 LEU A 47 17.112 -0.028 48.071 1.00 0.00 C ATOM 730 CD2 LEU A 47 16.649 -1.114 45.867 1.00 0.00 C ATOM 0 H LEU A 47 13.263 -2.910 48.821 1.00 0.00 H new ATOM 0 HA LEU A 47 13.844 -1.555 46.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.901 -1.394 48.837 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.016 -2.540 48.120 1.00 0.00 H new ATOM 0 HG LEU A 47 15.298 0.182 46.926 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.621 0.788 47.558 1.00 0.00 H new ATOM 0 HD12 LEU A 47 16.662 0.346 48.991 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.832 -0.811 48.311 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.156 -0.294 45.358 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.370 -1.898 46.099 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.870 -1.517 45.220 1.00 0.00 H new ATOM 742 N LEU A 48 14.646 -4.704 46.838 1.00 0.00 N ATOM 743 CA LEU A 48 15.106 -5.925 46.168 1.00 0.00 C ATOM 744 C LEU A 48 14.261 -6.241 44.921 1.00 0.00 C ATOM 745 O LEU A 48 14.812 -6.481 43.845 1.00 0.00 O ATOM 746 CB LEU A 48 15.077 -7.114 47.169 1.00 0.00 C ATOM 747 CG LEU A 48 16.495 -7.653 47.433 1.00 0.00 C ATOM 748 CD1 LEU A 48 17.282 -6.660 48.294 1.00 0.00 C ATOM 749 CD2 LEU A 48 16.399 -8.993 48.166 1.00 0.00 C ATOM 0 H LEU A 48 14.340 -4.837 47.802 1.00 0.00 H new ATOM 0 HA LEU A 48 16.130 -5.765 45.830 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.627 -6.792 48.108 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.450 -7.912 46.772 1.00 0.00 H new ATOM 0 HG LEU A 48 17.009 -7.787 46.481 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.284 -7.050 48.475 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.353 -5.704 47.774 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.770 -6.518 49.246 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.401 -9.377 48.354 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.880 -8.853 49.114 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.847 -9.705 47.552 1.00 0.00 H new ATOM 761 N PRO A 49 12.957 -6.261 45.033 1.00 0.00 N ATOM 762 CA PRO A 49 12.065 -6.570 43.875 1.00 0.00 C ATOM 763 C PRO A 49 12.426 -5.755 42.630 1.00 0.00 C ATOM 764 O PRO A 49 12.490 -6.294 41.526 1.00 0.00 O ATOM 765 CB PRO A 49 10.662 -6.194 44.383 1.00 0.00 C ATOM 766 CG PRO A 49 10.736 -6.315 45.875 1.00 0.00 C ATOM 767 CD PRO A 49 12.185 -6.002 46.267 1.00 0.00 C ATOM 0 HA PRO A 49 12.149 -7.612 43.566 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.394 -5.181 44.083 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.903 -6.860 43.972 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.046 -5.621 46.355 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.455 -7.318 46.197 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.294 -4.969 46.596 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.521 -6.635 47.088 1.00 0.00 H new ATOM 775 N ALA A 50 12.664 -4.461 42.819 1.00 0.00 N ATOM 776 CA ALA A 50 13.016 -3.578 41.708 1.00 0.00 C ATOM 777 C ALA A 50 14.271 -4.062 40.989 1.00 0.00 C ATOM 778 O ALA A 50 14.413 -3.859 39.784 1.00 0.00 O ATOM 779 CB ALA A 50 13.240 -2.155 42.223 1.00 0.00 C ATOM 0 H ALA A 50 12.620 -4.000 43.728 1.00 0.00 H new ATOM 0 HA ALA A 50 12.189 -3.588 40.998 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.502 -1.503 41.389 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.328 -1.791 42.695 1.00 0.00 H new ATOM 0 HB3 ALA A 50 14.051 -2.155 42.952 1.00 0.00 H new ATOM 785 N LEU A 51 15.180 -4.687 41.719 1.00 0.00 N ATOM 786 CA LEU A 51 16.413 -5.169 41.109 1.00 0.00 C ATOM 787 C LEU A 51 16.078 -6.167 39.996 1.00 0.00 C ATOM 788 O LEU A 51 16.664 -6.124 38.916 1.00 0.00 O ATOM 789 CB LEU A 51 17.295 -5.836 42.185 1.00 0.00 C ATOM 790 CG LEU A 51 18.791 -5.700 41.832 1.00 0.00 C ATOM 791 CD1 LEU A 51 19.053 -6.245 40.422 1.00 0.00 C ATOM 792 CD2 LEU A 51 19.229 -4.216 41.914 1.00 0.00 C ATOM 0 H LEU A 51 15.093 -4.872 42.718 1.00 0.00 H new ATOM 0 HA LEU A 51 16.961 -4.332 40.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 17.103 -5.377 43.155 1.00 0.00 H new ATOM 0 HB3 LEU A 51 17.033 -6.890 42.274 1.00 0.00 H new ATOM 0 HG LEU A 51 19.372 -6.279 42.550 1.00 0.00 H new ATOM 0 HD11 LEU A 51 20.112 -6.144 40.184 1.00 0.00 H new ATOM 0 HD12 LEU A 51 18.771 -7.297 40.380 1.00 0.00 H new ATOM 0 HD13 LEU A 51 18.463 -5.682 39.699 1.00 0.00 H new ATOM 0 HD21 LEU A 51 20.286 -4.134 41.663 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.642 -3.624 41.211 1.00 0.00 H new ATOM 0 HD23 LEU A 51 19.067 -3.844 42.926 1.00 0.00 H new ATOM 804 N ALA A 52 15.126 -7.056 40.264 1.00 0.00 N ATOM 805 CA ALA A 52 14.727 -8.051 39.269 1.00 0.00 C ATOM 806 C ALA A 52 14.206 -7.372 37.999 1.00 0.00 C ATOM 807 O ALA A 52 14.514 -7.797 36.886 1.00 0.00 O ATOM 808 CB ALA A 52 13.639 -8.961 39.844 1.00 0.00 C ATOM 0 H ALA A 52 14.621 -7.110 41.149 1.00 0.00 H new ATOM 0 HA ALA A 52 15.603 -8.647 39.014 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.349 -9.698 39.096 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.021 -9.472 40.728 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.771 -8.362 40.119 1.00 0.00 H new ATOM 814 N ILE A 53 13.412 -6.322 38.170 1.00 0.00 N ATOM 815 CA ILE A 53 12.864 -5.604 37.021 1.00 0.00 C ATOM 816 C ILE A 53 13.977 -4.879 36.251 1.00 0.00 C ATOM 817 O ILE A 53 14.018 -4.919 35.021 1.00 0.00 O ATOM 818 CB ILE A 53 11.779 -4.606 37.490 1.00 0.00 C ATOM 819 CG1 ILE A 53 10.456 -5.350 37.742 1.00 0.00 C ATOM 820 CG2 ILE A 53 11.544 -3.521 36.428 1.00 0.00 C ATOM 821 CD1 ILE A 53 10.623 -6.353 38.882 1.00 0.00 C ATOM 0 H ILE A 53 13.135 -5.951 39.079 1.00 0.00 H new ATOM 0 HA ILE A 53 12.405 -6.325 36.344 1.00 0.00 H new ATOM 0 HB ILE A 53 12.125 -4.137 38.411 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.670 -4.636 37.988 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.143 -5.868 36.835 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.777 -2.830 36.778 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.472 -2.976 36.253 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.216 -3.987 35.499 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.680 -6.873 39.050 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.395 -7.077 38.620 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.914 -5.826 39.791 1.00 0.00 H new ATOM 833 N PHE A 54 14.865 -4.210 36.982 1.00 0.00 N ATOM 834 CA PHE A 54 15.963 -3.470 36.359 1.00 0.00 C ATOM 835 C PHE A 54 16.946 -4.396 35.638 1.00 0.00 C ATOM 836 O PHE A 54 17.312 -4.140 34.491 1.00 0.00 O ATOM 837 CB PHE A 54 16.704 -2.653 37.417 1.00 0.00 C ATOM 838 CG PHE A 54 17.802 -1.845 36.766 1.00 0.00 C ATOM 839 CD1 PHE A 54 17.494 -0.653 36.100 1.00 0.00 C ATOM 840 CD2 PHE A 54 19.129 -2.285 36.836 1.00 0.00 C ATOM 841 CE1 PHE A 54 18.513 0.100 35.504 1.00 0.00 C ATOM 842 CE2 PHE A 54 20.149 -1.531 36.239 1.00 0.00 C ATOM 843 CZ PHE A 54 19.840 -0.339 35.574 1.00 0.00 C ATOM 0 H PHE A 54 14.848 -4.164 38.001 1.00 0.00 H new ATOM 0 HA PHE A 54 15.528 -2.805 35.612 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.008 -1.990 37.930 1.00 0.00 H new ATOM 0 HB3 PHE A 54 17.127 -3.317 38.171 1.00 0.00 H new ATOM 0 HD1 PHE A 54 16.470 -0.314 36.046 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.367 -3.205 37.350 1.00 0.00 H new ATOM 0 HE1 PHE A 54 18.275 1.020 34.990 1.00 0.00 H new ATOM 0 HE2 PHE A 54 21.173 -1.870 36.292 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.626 0.242 35.115 1.00 0.00 H new ATOM 853 N ILE A 55 17.385 -5.457 36.306 1.00 0.00 N ATOM 854 CA ILE A 55 18.338 -6.378 35.690 1.00 0.00 C ATOM 855 C ILE A 55 17.697 -7.110 34.513 1.00 0.00 C ATOM 856 O ILE A 55 18.324 -7.298 33.471 1.00 0.00 O ATOM 857 CB ILE A 55 18.837 -7.392 36.726 1.00 0.00 C ATOM 858 CG1 ILE A 55 20.001 -8.200 36.142 1.00 0.00 C ATOM 859 CG2 ILE A 55 17.701 -8.342 37.108 1.00 0.00 C ATOM 860 CD1 ILE A 55 20.689 -8.980 37.264 1.00 0.00 C ATOM 0 H ILE A 55 17.104 -5.700 37.256 1.00 0.00 H new ATOM 0 HA ILE A 55 19.184 -5.799 35.320 1.00 0.00 H new ATOM 0 HB ILE A 55 19.176 -6.857 37.613 1.00 0.00 H new ATOM 0 HG12 ILE A 55 19.635 -8.886 35.378 1.00 0.00 H new ATOM 0 HG13 ILE A 55 20.714 -7.533 35.657 1.00 0.00 H new ATOM 0 HG21 ILE A 55 18.060 -9.061 37.844 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.875 -7.770 37.532 1.00 0.00 H new ATOM 0 HG23 ILE A 55 17.357 -8.873 36.220 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.518 -9.556 36.852 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.068 -8.284 38.012 1.00 0.00 H new ATOM 0 HD13 ILE A 55 19.972 -9.657 37.729 1.00 0.00 H new ATOM 872 N GLY A 56 16.444 -7.514 34.687 1.00 0.00 N ATOM 873 CA GLY A 56 15.725 -8.220 33.633 1.00 0.00 C ATOM 874 C GLY A 56 15.495 -7.314 32.426 1.00 0.00 C ATOM 875 O GLY A 56 15.565 -7.756 31.279 1.00 0.00 O ATOM 0 H GLY A 56 15.908 -7.366 35.542 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.291 -9.100 33.329 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.767 -8.573 34.015 1.00 0.00 H new ATOM 879 N LEU A 57 15.209 -6.046 32.698 1.00 0.00 N ATOM 880 CA LEU A 57 14.959 -5.073 31.637 1.00 0.00 C ATOM 881 C LEU A 57 16.211 -4.838 30.790 1.00 0.00 C ATOM 882 O LEU A 57 16.125 -4.682 29.572 1.00 0.00 O ATOM 883 CB LEU A 57 14.481 -3.742 32.243 1.00 0.00 C ATOM 884 CG LEU A 57 14.089 -2.741 31.117 1.00 0.00 C ATOM 885 CD1 LEU A 57 12.840 -1.950 31.522 1.00 0.00 C ATOM 886 CD2 LEU A 57 15.229 -1.741 30.862 1.00 0.00 C ATOM 0 H LEU A 57 15.144 -5.666 33.642 1.00 0.00 H new ATOM 0 HA LEU A 57 14.182 -5.477 30.988 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.625 -3.919 32.895 1.00 0.00 H new ATOM 0 HB3 LEU A 57 15.270 -3.313 32.861 1.00 0.00 H new ATOM 0 HG LEU A 57 13.893 -3.317 30.213 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.576 -1.254 30.726 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.012 -2.639 31.691 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.042 -1.395 32.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 14.936 -1.050 30.072 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.434 -1.183 31.775 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.126 -2.281 30.558 1.00 0.00 H new ATOM 898 N THR A 58 17.370 -4.803 31.442 1.00 0.00 N ATOM 899 CA THR A 58 18.629 -4.569 30.733 1.00 0.00 C ATOM 900 C THR A 58 18.894 -5.675 29.712 1.00 0.00 C ATOM 901 O THR A 58 19.209 -5.391 28.555 1.00 0.00 O ATOM 902 CB THR A 58 19.788 -4.501 31.732 1.00 0.00 C ATOM 903 OG1 THR A 58 19.562 -3.431 32.640 1.00 0.00 O ATOM 904 CG2 THR A 58 21.102 -4.261 30.986 1.00 0.00 C ATOM 0 H THR A 58 17.466 -4.932 32.449 1.00 0.00 H new ATOM 0 HA THR A 58 18.550 -3.620 30.203 1.00 0.00 H new ATOM 0 HB THR A 58 19.850 -5.443 32.277 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.836 -3.670 33.253 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.923 -4.213 31.701 1.00 0.00 H new ATOM 0 HG22 THR A 58 21.277 -5.078 30.286 1.00 0.00 H new ATOM 0 HG23 THR A 58 21.043 -3.320 30.438 1.00 0.00 H new ATOM 912 N ILE A 59 18.763 -6.928 30.127 1.00 0.00 N ATOM 913 CA ILE A 59 18.993 -8.042 29.213 1.00 0.00 C ATOM 914 C ILE A 59 17.922 -8.065 28.122 1.00 0.00 C ATOM 915 O ILE A 59 18.199 -8.389 26.971 1.00 0.00 O ATOM 916 CB ILE A 59 19.002 -9.367 29.989 1.00 0.00 C ATOM 917 CG1 ILE A 59 19.082 -10.559 29.019 1.00 0.00 C ATOM 918 CG2 ILE A 59 17.736 -9.479 30.834 1.00 0.00 C ATOM 919 CD1 ILE A 59 20.312 -10.420 28.115 1.00 0.00 C ATOM 0 H ILE A 59 18.503 -7.198 31.076 1.00 0.00 H new ATOM 0 HA ILE A 59 19.964 -7.911 28.736 1.00 0.00 H new ATOM 0 HB ILE A 59 19.877 -9.384 30.639 1.00 0.00 H new ATOM 0 HG12 ILE A 59 19.137 -11.492 29.580 1.00 0.00 H new ATOM 0 HG13 ILE A 59 18.178 -10.605 28.412 1.00 0.00 H new ATOM 0 HG21 ILE A 59 17.747 -10.421 31.383 1.00 0.00 H new ATOM 0 HG22 ILE A 59 17.694 -8.649 31.539 1.00 0.00 H new ATOM 0 HG23 ILE A 59 16.861 -9.448 30.185 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.360 -11.268 27.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.239 -9.496 27.541 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.213 -10.396 28.728 1.00 0.00 H new ATOM 931 N TYR A 60 16.695 -7.733 28.510 1.00 0.00 N ATOM 932 CA TYR A 60 15.566 -7.731 27.580 1.00 0.00 C ATOM 933 C TYR A 60 15.918 -7.001 26.281 1.00 0.00 C ATOM 934 O TYR A 60 15.418 -7.349 25.212 1.00 0.00 O ATOM 935 CB TYR A 60 14.334 -7.074 28.250 1.00 0.00 C ATOM 936 CG TYR A 60 13.072 -7.827 27.877 1.00 0.00 C ATOM 937 CD1 TYR A 60 12.429 -7.574 26.659 1.00 0.00 C ATOM 938 CD2 TYR A 60 12.557 -8.790 28.753 1.00 0.00 C ATOM 939 CE1 TYR A 60 11.272 -8.284 26.318 1.00 0.00 C ATOM 940 CE2 TYR A 60 11.400 -9.501 28.410 1.00 0.00 C ATOM 941 CZ TYR A 60 10.758 -9.248 27.193 1.00 0.00 C ATOM 942 OH TYR A 60 9.617 -9.947 26.856 1.00 0.00 O ATOM 0 H TYR A 60 16.455 -7.461 29.463 1.00 0.00 H new ATOM 0 HA TYR A 60 15.329 -8.764 27.327 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.458 -7.071 29.333 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.252 -6.033 27.936 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.826 -6.831 25.983 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.052 -8.985 29.693 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.776 -8.088 25.379 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.003 -10.245 29.085 1.00 0.00 H new ATOM 0 HH TYR A 60 9.396 -10.578 27.573 1.00 0.00 H new ATOM 952 N ALA A 61 16.771 -5.987 26.377 1.00 0.00 N ATOM 953 CA ALA A 61 17.168 -5.215 25.203 1.00 0.00 C ATOM 954 C ALA A 61 17.604 -6.130 24.058 1.00 0.00 C ATOM 955 O ALA A 61 17.482 -5.772 22.888 1.00 0.00 O ATOM 956 CB ALA A 61 18.318 -4.276 25.568 1.00 0.00 C ATOM 0 H ALA A 61 17.200 -5.681 27.250 1.00 0.00 H new ATOM 0 HA ALA A 61 16.305 -4.637 24.872 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.612 -3.702 24.689 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.996 -3.595 26.356 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.168 -4.861 25.920 1.00 0.00 H new ATOM 962 N ILE A 62 18.123 -7.303 24.396 1.00 0.00 N ATOM 963 CA ILE A 62 18.582 -8.261 23.392 1.00 0.00 C ATOM 964 C ILE A 62 17.419 -8.823 22.570 1.00 0.00 C ATOM 965 O ILE A 62 17.587 -9.185 21.406 1.00 0.00 O ATOM 966 CB ILE A 62 19.327 -9.412 24.088 1.00 0.00 C ATOM 967 CG1 ILE A 62 20.118 -10.227 23.049 1.00 0.00 C ATOM 968 CG2 ILE A 62 18.321 -10.339 24.798 1.00 0.00 C ATOM 969 CD1 ILE A 62 21.344 -9.442 22.550 1.00 0.00 C ATOM 0 H ILE A 62 18.238 -7.617 25.360 1.00 0.00 H new ATOM 0 HA ILE A 62 19.251 -7.739 22.708 1.00 0.00 H new ATOM 0 HB ILE A 62 20.013 -8.991 24.823 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.440 -11.170 23.490 1.00 0.00 H new ATOM 0 HG13 ILE A 62 19.472 -10.474 22.206 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.858 -11.151 25.288 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.765 -9.770 25.543 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.628 -10.752 24.066 1.00 0.00 H new ATOM 0 HD11 ILE A 62 21.885 -10.040 21.817 1.00 0.00 H new ATOM 0 HD12 ILE A 62 21.016 -8.511 22.088 1.00 0.00 H new ATOM 0 HD13 ILE A 62 22.000 -9.218 23.391 1.00 0.00 H new ATOM 981 N GLN A 63 16.247 -8.916 23.190 1.00 0.00 N ATOM 982 CA GLN A 63 15.069 -9.459 22.514 1.00 0.00 C ATOM 983 C GLN A 63 14.576 -8.543 21.391 1.00 0.00 C ATOM 984 O GLN A 63 14.258 -9.007 20.295 1.00 0.00 O ATOM 985 CB GLN A 63 13.945 -9.654 23.537 1.00 0.00 C ATOM 986 CG GLN A 63 12.700 -10.220 22.843 1.00 0.00 C ATOM 987 CD GLN A 63 11.631 -10.561 23.877 1.00 0.00 C ATOM 988 OE1 GLN A 63 11.948 -10.611 25.142 1.00 0.00 O flip ATOM 989 NE2 GLN A 63 10.473 -10.781 23.521 1.00 0.00 N flip ATOM 0 H GLN A 63 16.086 -8.625 24.154 1.00 0.00 H new ATOM 0 HA GLN A 63 15.352 -10.412 22.066 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.272 -10.332 24.325 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.706 -8.703 24.013 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.309 -9.493 22.131 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.965 -11.112 22.275 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.227 -10.741 22.532 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.759 -11.003 24.215 1.00 0.00 H new ATOM 998 N ARG A 64 14.505 -7.247 21.675 1.00 0.00 N ATOM 999 CA ARG A 64 14.037 -6.262 20.698 1.00 0.00 C ATOM 1000 C ARG A 64 15.092 -5.939 19.642 1.00 0.00 C ATOM 1001 O ARG A 64 14.765 -5.433 18.570 1.00 0.00 O ATOM 1002 CB ARG A 64 13.595 -4.970 21.402 1.00 0.00 C ATOM 1003 CG ARG A 64 14.761 -4.359 22.219 1.00 0.00 C ATOM 1004 CD ARG A 64 14.710 -2.827 22.147 1.00 0.00 C ATOM 1005 NE ARG A 64 13.333 -2.362 22.272 1.00 0.00 N ATOM 1006 CZ ARG A 64 12.761 -2.193 23.460 1.00 0.00 C ATOM 1007 NH1 ARG A 64 13.433 -2.441 24.550 1.00 0.00 N ATOM 1008 NH2 ARG A 64 11.526 -1.778 23.536 1.00 0.00 N ATOM 0 H ARG A 64 14.766 -6.850 22.577 1.00 0.00 H new ATOM 0 HA ARG A 64 13.185 -6.710 20.186 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.247 -4.249 20.662 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.754 -5.180 22.063 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.697 -4.684 23.257 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.714 -4.717 21.831 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.320 -2.398 22.942 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.132 -2.486 21.202 1.00 0.00 H new ATOM 0 HE ARG A 64 12.796 -2.162 21.428 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.398 -2.765 24.491 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.993 -2.311 25.461 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.000 -1.583 22.684 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.087 -1.648 24.447 1.00 0.00 H new ATOM 1022 N LYS A 65 16.356 -6.172 19.974 1.00 0.00 N ATOM 1023 CA LYS A 65 17.447 -5.835 19.066 1.00 0.00 C ATOM 1024 C LYS A 65 17.208 -6.374 17.653 1.00 0.00 C ATOM 1025 O LYS A 65 17.676 -5.777 16.683 1.00 0.00 O ATOM 1026 CB LYS A 65 18.774 -6.385 19.629 1.00 0.00 C ATOM 1027 CG LYS A 65 18.926 -7.900 19.319 1.00 0.00 C ATOM 1028 CD LYS A 65 19.776 -8.111 18.045 1.00 0.00 C ATOM 1029 CE LYS A 65 21.263 -8.186 18.414 1.00 0.00 C ATOM 1030 NZ LYS A 65 22.073 -8.385 17.178 1.00 0.00 N ATOM 0 H LYS A 65 16.650 -6.589 20.857 1.00 0.00 H new ATOM 0 HA LYS A 65 17.498 -4.749 18.992 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.611 -5.836 19.198 1.00 0.00 H new ATOM 0 HB3 LYS A 65 18.810 -6.225 20.707 1.00 0.00 H new ATOM 0 HG2 LYS A 65 19.395 -8.404 20.164 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.942 -8.350 19.185 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.471 -9.029 17.542 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.607 -7.292 17.345 1.00 0.00 H new ATOM 0 HE2 LYS A 65 21.570 -7.270 18.919 1.00 0.00 H new ATOM 0 HE3 LYS A 65 21.435 -9.007 19.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 23.081 -8.436 17.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 21.786 -9.270 16.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 21.917 -7.588 16.529 1.00 0.00 H new ATOM 1044 N ARG A 66 16.477 -7.477 17.520 1.00 0.00 N ATOM 1045 CA ARG A 66 16.204 -8.023 16.194 1.00 0.00 C ATOM 1046 C ARG A 66 15.160 -7.169 15.472 1.00 0.00 C ATOM 1047 O ARG A 66 15.340 -6.809 14.309 1.00 0.00 O ATOM 1048 CB ARG A 66 15.715 -9.479 16.313 1.00 0.00 C ATOM 1049 CG ARG A 66 14.895 -9.641 17.595 1.00 0.00 C ATOM 1050 CD ARG A 66 14.105 -10.950 17.543 1.00 0.00 C ATOM 1051 NE ARG A 66 13.274 -11.079 18.736 1.00 0.00 N ATOM 1052 CZ ARG A 66 12.187 -11.842 18.740 1.00 0.00 C ATOM 1053 NH1 ARG A 66 11.853 -12.506 17.668 1.00 0.00 N ATOM 1054 NH2 ARG A 66 11.452 -11.927 19.815 1.00 0.00 N ATOM 0 H ARG A 66 16.071 -8.001 18.295 1.00 0.00 H new ATOM 0 HA ARG A 66 17.125 -8.008 15.612 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.109 -9.742 15.446 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.566 -10.160 16.325 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.555 -9.638 18.462 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.213 -8.798 17.710 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.480 -10.972 16.650 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.790 -11.795 17.474 1.00 0.00 H new ATOM 0 HE ARG A 66 13.533 -10.573 19.583 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.427 -12.439 16.827 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.018 -13.092 17.671 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.712 -11.407 20.653 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.617 -12.513 19.817 1.00 0.00 H new ATOM 1068 N GLN A 67 14.064 -6.871 16.163 1.00 0.00 N ATOM 1069 CA GLN A 67 12.983 -6.084 15.579 1.00 0.00 C ATOM 1070 C GLN A 67 13.507 -4.755 15.029 1.00 0.00 C ATOM 1071 O GLN A 67 12.929 -4.191 14.100 1.00 0.00 O ATOM 1072 CB GLN A 67 11.883 -5.833 16.646 1.00 0.00 C ATOM 1073 CG GLN A 67 10.532 -6.394 16.175 1.00 0.00 C ATOM 1074 CD GLN A 67 10.095 -5.674 14.903 1.00 0.00 C ATOM 1075 OE1 GLN A 67 9.611 -6.363 13.906 1.00 0.00 O flip ATOM 1076 NE2 GLN A 67 10.204 -4.453 14.815 1.00 0.00 N flip ATOM 0 H GLN A 67 13.901 -7.162 17.127 1.00 0.00 H new ATOM 0 HA GLN A 67 12.555 -6.644 14.748 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.169 -6.302 17.588 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.792 -4.764 16.837 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.616 -7.465 15.988 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.781 -6.265 16.955 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.583 -3.917 15.596 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.916 -3.975 13.961 1.00 0.00 H new ATOM 1085 N ALA A 68 14.597 -4.261 15.606 1.00 0.00 N ATOM 1086 CA ALA A 68 15.170 -3.000 15.156 1.00 0.00 C ATOM 1087 C ALA A 68 15.445 -3.057 13.657 1.00 0.00 C ATOM 1088 O ALA A 68 15.068 -2.160 12.903 1.00 0.00 O ATOM 1089 CB ALA A 68 16.474 -2.732 15.912 1.00 0.00 C ATOM 0 H ALA A 68 15.095 -4.708 16.376 1.00 0.00 H new ATOM 0 HA ALA A 68 14.463 -2.194 15.355 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.903 -1.788 15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.270 -2.677 16.981 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.179 -3.540 15.719 1.00 0.00 H new ATOM 1095 N ASP A 69 16.095 -4.141 13.241 1.00 0.00 N ATOM 1096 CA ASP A 69 16.422 -4.368 11.838 1.00 0.00 C ATOM 1097 C ASP A 69 15.164 -4.609 11.007 1.00 0.00 C ATOM 1098 O ASP A 69 15.097 -4.207 9.846 1.00 0.00 O ATOM 1099 CB ASP A 69 17.350 -5.577 11.716 1.00 0.00 C ATOM 1100 CG ASP A 69 18.721 -5.232 12.291 1.00 0.00 C ATOM 1101 OD1 ASP A 69 19.254 -4.202 11.913 1.00 0.00 O ATOM 1102 OD2 ASP A 69 19.214 -5.999 13.102 1.00 0.00 O ATOM 0 H ASP A 69 16.409 -4.884 13.866 1.00 0.00 H new ATOM 0 HA ASP A 69 16.919 -3.475 11.458 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.926 -6.429 12.248 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.446 -5.870 10.670 1.00 0.00 H new ATOM 1107 N ALA A 70 14.177 -5.278 11.594 1.00 0.00 N ATOM 1108 CA ALA A 70 12.942 -5.571 10.872 1.00 0.00 C ATOM 1109 C ALA A 70 12.207 -4.291 10.486 1.00 0.00 C ATOM 1110 O ALA A 70 11.664 -4.189 9.385 1.00 0.00 O ATOM 1111 CB ALA A 70 12.026 -6.443 11.732 1.00 0.00 C ATOM 0 H ALA A 70 14.205 -5.624 12.553 1.00 0.00 H new ATOM 0 HA ALA A 70 13.209 -6.104 9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.108 -6.656 11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.532 -7.379 11.970 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.784 -5.917 12.655 1.00 0.00 H new ATOM 1117 N SER A 71 12.181 -3.319 11.395 1.00 0.00 N ATOM 1118 CA SER A 71 11.494 -2.056 11.131 1.00 0.00 C ATOM 1119 C SER A 71 12.407 -1.073 10.403 1.00 0.00 C ATOM 1120 O SER A 71 12.002 -0.445 9.424 1.00 0.00 O ATOM 1121 CB SER A 71 11.029 -1.436 12.449 1.00 0.00 C ATOM 1122 OG SER A 71 10.148 -2.337 13.104 1.00 0.00 O ATOM 0 H SER A 71 12.623 -3.380 12.312 1.00 0.00 H new ATOM 0 HA SER A 71 10.634 -2.265 10.494 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.887 -1.220 13.086 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.525 -0.488 12.261 1.00 0.00 H new ATOM 0 HG SER A 71 9.475 -1.830 13.604 1.00 0.00 H new ATOM 1128 N SER A 72 13.635 -0.938 10.890 1.00 0.00 N ATOM 1129 CA SER A 72 14.590 -0.018 10.283 1.00 0.00 C ATOM 1130 C SER A 72 14.949 -0.456 8.865 1.00 0.00 C ATOM 1131 O SER A 72 15.221 0.377 8.001 1.00 0.00 O ATOM 1132 CB SER A 72 15.861 0.055 11.128 1.00 0.00 C ATOM 1133 OG SER A 72 16.441 -1.239 11.217 1.00 0.00 O ATOM 0 H SER A 72 13.991 -1.450 11.697 1.00 0.00 H new ATOM 0 HA SER A 72 14.124 0.966 10.237 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.569 0.753 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.628 0.431 12.124 1.00 0.00 H new ATOM 0 HG SER A 72 15.799 -1.858 11.622 1.00 0.00 H new ATOM 1139 N THR A 73 14.961 -1.769 8.631 1.00 0.00 N ATOM 1140 CA THR A 73 15.301 -2.304 7.310 1.00 0.00 C ATOM 1141 C THR A 73 14.396 -3.479 6.942 1.00 0.00 C ATOM 1142 O THR A 73 14.796 -4.638 7.050 1.00 0.00 O ATOM 1143 CB THR A 73 16.760 -2.769 7.303 1.00 0.00 C ATOM 1144 OG1 THR A 73 16.982 -3.649 8.396 1.00 0.00 O ATOM 1145 CG2 THR A 73 17.684 -1.556 7.425 1.00 0.00 C ATOM 0 H THR A 73 14.741 -2.477 9.332 1.00 0.00 H new ATOM 0 HA THR A 73 15.157 -1.512 6.575 1.00 0.00 H new ATOM 0 HB THR A 73 16.970 -3.291 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.138 -4.079 8.646 1.00 0.00 H new ATOM 0 HG21 THR A 73 18.722 -1.888 7.420 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.514 -0.883 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.475 -1.032 8.358 1.00 0.00 H new ATOM 1153 N PRO A 74 13.194 -3.202 6.503 1.00 0.00 N ATOM 1154 CA PRO A 74 12.220 -4.262 6.101 1.00 0.00 C ATOM 1155 C PRO A 74 12.824 -5.216 5.061 1.00 0.00 C ATOM 1156 O PRO A 74 12.534 -5.120 3.867 1.00 0.00 O ATOM 1157 CB PRO A 74 11.032 -3.467 5.522 1.00 0.00 C ATOM 1158 CG PRO A 74 11.142 -2.099 6.122 1.00 0.00 C ATOM 1159 CD PRO A 74 12.634 -1.851 6.350 1.00 0.00 C ATOM 0 HA PRO A 74 11.928 -4.902 6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.080 -3.424 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.082 -3.935 5.781 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.720 -1.347 5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.590 -2.040 7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 74 13.085 -1.324 5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 74 12.808 -1.243 7.238 1.00 0.00 H new ATOM 1167 N LYS A 75 13.668 -6.133 5.522 1.00 0.00 N ATOM 1168 CA LYS A 75 14.308 -7.086 4.621 1.00 0.00 C ATOM 1169 C LYS A 75 13.267 -8.003 3.983 1.00 0.00 C ATOM 1170 O LYS A 75 13.338 -8.297 2.790 1.00 0.00 O ATOM 1171 CB LYS A 75 15.342 -7.927 5.387 1.00 0.00 C ATOM 1172 CG LYS A 75 16.179 -8.773 4.406 1.00 0.00 C ATOM 1173 CD LYS A 75 17.335 -7.924 3.809 1.00 0.00 C ATOM 1174 CE LYS A 75 18.648 -8.224 4.544 1.00 0.00 C ATOM 1175 NZ LYS A 75 18.402 -8.230 6.015 1.00 0.00 N ATOM 0 H LYS A 75 13.923 -6.237 6.504 1.00 0.00 H new ATOM 0 HA LYS A 75 14.813 -6.528 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.997 -7.273 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.835 -8.579 6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.587 -9.642 4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.543 -9.147 3.604 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.446 -8.143 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.097 -6.863 3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 19.043 -9.189 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.398 -7.474 4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 19.307 -8.332 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.949 -7.337 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.779 -9.026 6.259 1.00 0.00 H new ATOM 1189 N PHE A 76 12.307 -8.458 4.782 1.00 0.00 N ATOM 1190 CA PHE A 76 11.270 -9.350 4.274 1.00 0.00 C ATOM 1191 C PHE A 76 10.558 -8.716 3.081 1.00 0.00 C ATOM 1192 O PHE A 76 10.357 -9.359 2.052 1.00 0.00 O ATOM 1193 CB PHE A 76 10.258 -9.665 5.388 1.00 0.00 C ATOM 1194 CG PHE A 76 9.363 -8.468 5.625 1.00 0.00 C ATOM 1195 CD1 PHE A 76 9.786 -7.427 6.460 1.00 0.00 C ATOM 1196 CD2 PHE A 76 8.117 -8.394 4.990 1.00 0.00 C ATOM 1197 CE1 PHE A 76 8.961 -6.315 6.663 1.00 0.00 C ATOM 1198 CE2 PHE A 76 7.292 -7.282 5.193 1.00 0.00 C ATOM 1199 CZ PHE A 76 7.715 -6.241 6.030 1.00 0.00 C ATOM 0 H PHE A 76 12.225 -8.227 5.772 1.00 0.00 H new ATOM 0 HA PHE A 76 11.737 -10.278 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.656 -10.531 5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 76 10.784 -9.924 6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.748 -7.482 6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.793 -9.196 4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.286 -5.513 7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.330 -7.226 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.080 -5.382 6.187 1.00 0.00 H new ATOM 1209 N ASN A 77 10.180 -7.454 3.226 1.00 0.00 N ATOM 1210 CA ASN A 77 9.495 -6.747 2.150 1.00 0.00 C ATOM 1211 C ASN A 77 10.434 -6.522 0.965 1.00 0.00 C ATOM 1212 O ASN A 77 9.991 -6.424 -0.179 1.00 0.00 O ATOM 1213 CB ASN A 77 8.966 -5.400 2.661 1.00 0.00 C ATOM 1214 CG ASN A 77 7.807 -4.925 1.788 1.00 0.00 C ATOM 1215 OD1 ASN A 77 6.687 -4.763 2.275 1.00 0.00 O ATOM 1216 ND2 ASN A 77 8.009 -4.693 0.519 1.00 0.00 N ATOM 0 H ASN A 77 10.333 -6.901 4.070 1.00 0.00 H new ATOM 0 HA ASN A 77 8.657 -7.359 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.636 -5.499 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.766 -4.659 2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.239 -4.377 -0.071 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.937 -4.828 0.117 1.00 0.00 H new ATOM 1223 N GLY A 78 11.730 -6.426 1.250 1.00 0.00 N ATOM 1224 CA GLY A 78 12.719 -6.199 0.199 1.00 0.00 C ATOM 1225 C GLY A 78 12.816 -7.395 -0.745 1.00 0.00 C ATOM 1226 O GLY A 78 12.768 -7.239 -1.964 1.00 0.00 O ATOM 0 H GLY A 78 12.118 -6.501 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 78 12.451 -5.307 -0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.693 -6.010 0.649 1.00 0.00 H new ATOM 1230 N VAL A 79 12.960 -8.586 -0.172 1.00 0.00 N ATOM 1231 CA VAL A 79 13.070 -9.801 -0.975 1.00 0.00 C ATOM 1232 C VAL A 79 11.744 -10.128 -1.657 1.00 0.00 C ATOM 1233 O VAL A 79 11.723 -10.638 -2.777 1.00 0.00 O ATOM 1234 CB VAL A 79 13.510 -10.974 -0.097 1.00 0.00 C ATOM 1235 CG1 VAL A 79 14.917 -10.707 0.440 1.00 0.00 C ATOM 1236 CG2 VAL A 79 12.545 -11.126 1.078 1.00 0.00 C ATOM 0 H VAL A 79 13.003 -8.736 0.836 1.00 0.00 H new ATOM 0 HA VAL A 79 13.819 -9.631 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 79 13.509 -11.888 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.232 -11.542 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.610 -10.597 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 79 14.913 -9.791 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.860 -11.962 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.546 -10.211 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.540 -11.314 0.701 1.00 0.00 H new ATOM 1246 N LYS A 80 10.639 -9.836 -0.978 1.00 0.00 N ATOM 1247 CA LYS A 80 9.322 -10.112 -1.541 1.00 0.00 C ATOM 1248 C LYS A 80 9.061 -9.220 -2.753 1.00 0.00 C ATOM 1249 O LYS A 80 9.230 -9.648 -3.894 1.00 0.00 O ATOM 1250 CB LYS A 80 8.236 -9.872 -0.485 1.00 0.00 C ATOM 1251 CG LYS A 80 8.225 -11.030 0.516 1.00 0.00 C ATOM 1252 CD LYS A 80 7.129 -10.792 1.557 1.00 0.00 C ATOM 1253 CE LYS A 80 7.089 -11.965 2.538 1.00 0.00 C ATOM 1254 NZ LYS A 80 8.336 -11.969 3.355 1.00 0.00 N ATOM 0 H LYS A 80 10.628 -9.414 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 80 9.295 -11.155 -1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.421 -8.932 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.261 -9.784 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.050 -11.972 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.195 -11.111 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.319 -9.862 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.163 -10.684 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.217 -11.882 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.994 -12.905 1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.895 -12.816 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.895 -11.118 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.089 -11.975 4.365 1.00 0.00 H new ATOM 1268 N LYS A 81 8.655 -7.980 -2.495 1.00 0.00 N ATOM 1269 CA LYS A 81 8.374 -7.039 -3.575 1.00 0.00 C ATOM 1270 C LYS A 81 8.091 -5.649 -3.011 1.00 0.00 C ATOM 1271 O LYS A 81 9.042 -4.946 -2.713 1.00 0.00 O ATOM 1272 CB LYS A 81 7.161 -7.518 -4.381 1.00 0.00 C ATOM 1273 CG LYS A 81 7.022 -6.705 -5.682 1.00 0.00 C ATOM 1274 CD LYS A 81 7.924 -7.288 -6.779 1.00 0.00 C ATOM 1275 CE LYS A 81 7.646 -6.569 -8.101 1.00 0.00 C ATOM 1276 NZ LYS A 81 6.308 -6.977 -8.614 1.00 0.00 N ATOM 1277 OXT LYS A 81 6.926 -5.311 -2.883 1.00 0.00 O ATOM 0 H LYS A 81 8.514 -7.606 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 81 9.247 -6.987 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.269 -8.577 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.256 -7.415 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.984 -6.713 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.289 -5.664 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.972 -7.172 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.739 -8.357 -6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.678 -5.489 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.418 -6.814 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.258 -6.794 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.163 -7.991 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.568 -6.431 -8.128 1.00 0.00 H new