USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 814 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 16 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 96 MET CE :methyl -119:sc= -2.14! (180deg=-4.12!) USER MOD Set 2.1: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 140:sc= -0.474 (180deg=-2.68!) USER MOD Single : A 6 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0555) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 9 THR OG1 : rot 102:sc= 0.122 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 155:sc= -0.155 (180deg=-1.13) USER MOD Single : A 14 THR OG1 : rot -138:sc= -5.55! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.813 K(o=-0.81,f=-2.3) USER MOD Single : A 26 THR OG1 : rot 150:sc= 0.00191 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 36 SER OG : rot 180:sc= 0.011 USER MOD Single : A 37 TYR OH : rot -37:sc= -2.03! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -107:sc=-0.00114 (180deg=-0.309) USER MOD Single : A 50 SER OG : rot 130:sc= 0.00884 USER MOD Single : A 53 SER OG : rot -16:sc= 1.51 USER MOD Single : A 55 ASN : amide:sc= -1.04 K(o=-1,f=-0.42) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -161:sc= -3.36! USER MOD Single : A 67 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.19) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 76 ASN : amide:sc= -0.0325 X(o=-0.032,f=-0.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -167:sc= -1.3 (180deg=-1.44!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= -0.0285 (180deg=-0.552) USER MOD Single : A 100 GLN : amide:sc= -7.62! C(o=-7.6!,f=-6!) USER MOD Single : A 102 ASN : amide:sc= -0.357! C(o=-0.36!,f=-9.1!) USER MOD Single : A 103 HIS : no HE2:sc= -0.269 K(o=-0.27,f=-7!) USER MOD Single : A 104 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.031) USER MOD Single : A 106 HIS : no HD1:sc= -7.55! C(o=-7.5!,f=-9.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.136 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 19.035 8.774 6.980 1.00 50.00 N ATOM 2 CA ASP A 1 19.927 8.114 7.978 1.00 50.00 C ATOM 3 C ASP A 1 19.202 7.963 9.316 1.00 50.00 C ATOM 4 O ASP A 1 19.023 6.871 9.818 1.00 50.00 O ATOM 5 CB ASP A 1 21.125 9.052 8.119 1.00 50.00 C ATOM 6 CG ASP A 1 22.418 8.270 7.881 1.00 50.00 C ATOM 7 OD1 ASP A 1 22.351 7.235 7.238 1.00 50.00 O ATOM 8 OD2 ASP A 1 23.453 8.719 8.344 1.00 50.00 O ATOM 0 H1 ASP A 1 19.538 8.871 6.075 1.00 50.00 H new ATOM 0 H2 ASP A 1 18.182 8.196 6.841 1.00 50.00 H new ATOM 0 H3 ASP A 1 18.762 9.716 7.327 1.00 50.00 H new ATOM 0 HA ASP A 1 20.228 7.114 7.666 1.00 50.00 H new ATOM 0 HB2 ASP A 1 21.046 9.870 7.403 1.00 50.00 H new ATOM 0 HB3 ASP A 1 21.136 9.498 9.113 1.00 50.00 H new ATOM 15 N LYS A 2 18.783 9.053 9.898 1.00 50.00 N ATOM 16 CA LYS A 2 18.070 8.975 11.206 1.00 50.00 C ATOM 17 C LYS A 2 16.582 9.280 11.013 1.00 50.00 C ATOM 18 O LYS A 2 16.215 10.238 10.360 1.00 50.00 O ATOM 19 CB LYS A 2 18.729 10.042 12.079 1.00 50.00 C ATOM 20 CG LYS A 2 20.165 9.622 12.400 1.00 50.00 C ATOM 21 CD LYS A 2 20.210 8.971 13.784 1.00 50.00 C ATOM 22 CE LYS A 2 21.616 9.115 14.371 1.00 50.00 C ATOM 23 NZ LYS A 2 21.890 10.578 14.360 1.00 50.00 N ATOM 0 H LYS A 2 18.903 9.995 9.525 1.00 50.00 H new ATOM 0 HA LYS A 2 18.135 7.984 11.656 1.00 50.00 H new ATOM 0 HB2 LYS A 2 18.726 11.002 11.563 1.00 50.00 H new ATOM 0 HB3 LYS A 2 18.163 10.174 13.001 1.00 50.00 H new ATOM 0 HG2 LYS A 2 20.528 8.923 11.646 1.00 50.00 H new ATOM 0 HG3 LYS A 2 20.824 10.490 12.373 1.00 50.00 H new ATOM 0 HD2 LYS A 2 19.480 9.441 14.443 1.00 50.00 H new ATOM 0 HD3 LYS A 2 19.941 7.917 13.711 1.00 50.00 H new ATOM 0 HE2 LYS A 2 21.665 8.712 15.383 1.00 50.00 H new ATOM 0 HE3 LYS A 2 22.350 8.572 13.776 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 22.385 10.845 15.235 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 22.485 10.814 13.540 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 20.992 11.099 14.297 1.00 50.00 H new ATOM 37 N LEU A 3 15.723 8.474 11.574 1.00 50.00 N ATOM 38 CA LEU A 3 14.260 8.722 11.419 1.00 50.00 C ATOM 39 C LEU A 3 13.570 8.693 12.785 1.00 50.00 C ATOM 40 O LEU A 3 13.308 7.643 13.338 1.00 50.00 O ATOM 41 CB LEU A 3 13.755 7.576 10.540 1.00 50.00 C ATOM 42 CG LEU A 3 14.691 7.399 9.344 1.00 50.00 C ATOM 43 CD1 LEU A 3 15.750 6.344 9.673 1.00 50.00 C ATOM 44 CD2 LEU A 3 13.879 6.943 8.129 1.00 50.00 C ATOM 0 H LEU A 3 15.969 7.656 12.132 1.00 50.00 H new ATOM 0 HA LEU A 3 14.052 9.697 10.979 1.00 50.00 H new ATOM 0 HB2 LEU A 3 13.709 6.653 11.118 1.00 50.00 H new ATOM 0 HB3 LEU A 3 12.743 7.787 10.195 1.00 50.00 H new ATOM 0 HG LEU A 3 15.181 8.347 9.123 1.00 50.00 H new ATOM 0 HD11 LEU A 3 16.416 6.219 8.820 1.00 50.00 H new ATOM 0 HD12 LEU A 3 16.327 6.666 10.540 1.00 50.00 H new ATOM 0 HD13 LEU A 3 15.262 5.395 9.894 1.00 50.00 H new ATOM 0 HD21 LEU A 3 14.543 6.816 7.274 1.00 50.00 H new ATOM 0 HD22 LEU A 3 13.390 5.995 8.353 1.00 50.00 H new ATOM 0 HD23 LEU A 3 13.124 7.693 7.893 1.00 50.00 H new ATOM 56 N ALA A 4 13.272 9.838 13.333 1.00 50.00 N ATOM 57 CA ALA A 4 12.597 9.876 14.662 1.00 50.00 C ATOM 58 C ALA A 4 11.091 10.089 14.483 1.00 50.00 C ATOM 59 O ALA A 4 10.658 11.058 13.891 1.00 50.00 O ATOM 60 CB ALA A 4 13.225 11.064 15.392 1.00 50.00 C ATOM 0 H ALA A 4 13.466 10.750 12.919 1.00 50.00 H new ATOM 0 HA ALA A 4 12.722 8.946 15.216 1.00 50.00 H new ATOM 0 HB1 ALA A 4 12.779 11.159 16.382 1.00 50.00 H new ATOM 0 HB2 ALA A 4 14.299 10.904 15.491 1.00 50.00 H new ATOM 0 HB3 ALA A 4 13.045 11.977 14.824 1.00 50.00 H new ATOM 66 N LEU A 5 10.290 9.192 14.991 1.00 50.00 N ATOM 67 CA LEU A 5 8.814 9.346 14.850 1.00 50.00 C ATOM 68 C LEU A 5 8.191 9.712 16.198 1.00 50.00 C ATOM 69 O LEU A 5 8.082 8.890 17.086 1.00 50.00 O ATOM 70 CB LEU A 5 8.317 7.978 14.380 1.00 50.00 C ATOM 71 CG LEU A 5 6.802 8.027 14.179 1.00 50.00 C ATOM 72 CD1 LEU A 5 6.479 7.901 12.689 1.00 50.00 C ATOM 73 CD2 LEU A 5 6.148 6.869 14.939 1.00 50.00 C ATOM 0 H LEU A 5 10.594 8.360 15.497 1.00 50.00 H new ATOM 0 HA LEU A 5 8.545 10.138 14.152 1.00 50.00 H new ATOM 0 HB2 LEU A 5 8.809 7.701 13.448 1.00 50.00 H new ATOM 0 HB3 LEU A 5 8.573 7.214 15.115 1.00 50.00 H new ATOM 0 HG LEU A 5 6.418 8.975 14.556 1.00 50.00 H new ATOM 0 HD11 LEU A 5 5.399 7.936 12.547 1.00 50.00 H new ATOM 0 HD12 LEU A 5 6.944 8.724 12.145 1.00 50.00 H new ATOM 0 HD13 LEU A 5 6.864 6.954 12.312 1.00 50.00 H new ATOM 0 HD21 LEU A 5 5.068 6.904 14.796 1.00 50.00 H new ATOM 0 HD22 LEU A 5 6.534 5.922 14.561 1.00 50.00 H new ATOM 0 HD23 LEU A 5 6.376 6.956 16.001 1.00 50.00 H new ATOM 85 N LYS A 6 7.782 10.940 16.358 1.00 50.00 N ATOM 86 CA LYS A 6 7.168 11.359 17.650 1.00 50.00 C ATOM 87 C LYS A 6 5.651 11.498 17.497 1.00 50.00 C ATOM 88 O LYS A 6 5.132 11.578 16.402 1.00 50.00 O ATOM 89 CB LYS A 6 7.800 12.714 17.966 1.00 50.00 C ATOM 90 CG LYS A 6 8.021 12.834 19.474 1.00 50.00 C ATOM 91 CD LYS A 6 9.107 13.877 19.749 1.00 50.00 C ATOM 92 CE LYS A 6 9.634 13.701 21.175 1.00 50.00 C ATOM 93 NZ LYS A 6 8.565 14.259 22.049 1.00 50.00 N ATOM 0 H LYS A 6 7.846 11.672 15.650 1.00 50.00 H new ATOM 0 HA LYS A 6 7.341 10.632 18.443 1.00 50.00 H new ATOM 0 HB2 LYS A 6 8.749 12.816 17.439 1.00 50.00 H new ATOM 0 HB3 LYS A 6 7.153 13.519 17.617 1.00 50.00 H new ATOM 0 HG2 LYS A 6 7.092 13.122 19.967 1.00 50.00 H new ATOM 0 HG3 LYS A 6 8.315 11.869 19.887 1.00 50.00 H new ATOM 0 HD2 LYS A 6 9.921 13.767 19.033 1.00 50.00 H new ATOM 0 HD3 LYS A 6 8.703 14.881 19.621 1.00 50.00 H new ATOM 0 HE2 LYS A 6 9.821 12.651 21.401 1.00 50.00 H new ATOM 0 HE3 LYS A 6 10.576 14.230 21.316 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 8.962 15.013 22.645 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 7.803 14.649 21.459 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 8.183 13.505 22.655 1.00 50.00 H new ATOM 107 N GLY A 7 4.937 11.529 18.590 1.00 50.00 N ATOM 108 CA GLY A 7 3.456 11.664 18.508 1.00 50.00 C ATOM 109 C GLY A 7 3.042 13.051 19.003 1.00 50.00 C ATOM 110 O GLY A 7 1.902 13.281 19.353 1.00 50.00 O ATOM 0 H GLY A 7 5.316 11.467 19.535 1.00 50.00 H new ATOM 0 HA2 GLY A 7 3.123 11.519 17.480 1.00 50.00 H new ATOM 0 HA3 GLY A 7 2.976 10.893 19.111 1.00 50.00 H new ATOM 114 N THR A 8 3.961 13.978 19.035 1.00 50.00 N ATOM 115 CA THR A 8 3.620 15.350 19.509 1.00 50.00 C ATOM 116 C THR A 8 2.485 15.935 18.664 1.00 50.00 C ATOM 117 O THR A 8 2.142 15.414 17.621 1.00 50.00 O ATOM 118 CB THR A 8 4.902 16.163 19.320 1.00 50.00 C ATOM 119 OG1 THR A 8 4.646 17.525 19.633 1.00 50.00 O ATOM 120 CG2 THR A 8 5.370 16.049 17.868 1.00 50.00 C ATOM 0 H THR A 8 4.932 13.845 18.754 1.00 50.00 H new ATOM 0 HA THR A 8 3.281 15.357 20.545 1.00 50.00 H new ATOM 0 HB THR A 8 5.679 15.778 19.980 1.00 50.00 H new ATOM 0 HG1 THR A 8 5.466 18.048 19.514 1.00 50.00 H new ATOM 0 HG21 THR A 8 6.283 16.628 17.734 1.00 50.00 H new ATOM 0 HG22 THR A 8 5.565 15.003 17.630 1.00 50.00 H new ATOM 0 HG23 THR A 8 4.595 16.434 17.205 1.00 50.00 H new ATOM 128 N THR A 9 1.898 17.012 19.108 1.00 50.00 N ATOM 129 CA THR A 9 0.785 17.630 18.332 1.00 50.00 C ATOM 130 C THR A 9 1.173 17.756 16.856 1.00 50.00 C ATOM 131 O THR A 9 2.012 18.555 16.490 1.00 50.00 O ATOM 132 CB THR A 9 0.588 19.013 18.954 1.00 50.00 C ATOM 133 OG1 THR A 9 0.750 18.924 20.363 1.00 50.00 O ATOM 134 CG2 THR A 9 -0.815 19.526 18.630 1.00 50.00 C ATOM 0 H THR A 9 2.141 17.491 19.975 1.00 50.00 H new ATOM 0 HA THR A 9 -0.125 17.032 18.370 1.00 50.00 H new ATOM 0 HB THR A 9 1.326 19.704 18.546 1.00 50.00 H new ATOM 0 HG1 THR A 9 1.637 19.257 20.612 1.00 50.00 H new ATOM 0 HG21 THR A 9 -0.954 20.512 19.074 1.00 50.00 H new ATOM 0 HG22 THR A 9 -0.937 19.595 17.549 1.00 50.00 H new ATOM 0 HG23 THR A 9 -1.557 18.838 19.036 1.00 50.00 H new ATOM 142 N TYR A 10 0.568 16.973 16.004 1.00 50.00 N ATOM 143 CA TYR A 10 0.904 17.050 14.552 1.00 50.00 C ATOM 144 C TYR A 10 -0.373 17.221 13.724 1.00 50.00 C ATOM 145 O TYR A 10 -1.471 17.055 14.217 1.00 50.00 O ATOM 146 CB TYR A 10 1.581 15.719 14.229 1.00 50.00 C ATOM 147 CG TYR A 10 2.992 15.975 13.757 1.00 50.00 C ATOM 148 CD1 TYR A 10 3.879 16.698 14.564 1.00 50.00 C ATOM 149 CD2 TYR A 10 3.414 15.489 12.514 1.00 50.00 C ATOM 150 CE1 TYR A 10 5.189 16.934 14.127 1.00 50.00 C ATOM 151 CE2 TYR A 10 4.722 15.726 12.077 1.00 50.00 C ATOM 152 CZ TYR A 10 5.610 16.448 12.884 1.00 50.00 C ATOM 153 OH TYR A 10 6.900 16.681 12.453 1.00 49.57 O ATOM 0 H TYR A 10 -0.143 16.284 16.249 1.00 50.00 H new ATOM 0 HA TYR A 10 1.548 17.898 14.321 1.00 50.00 H new ATOM 0 HB2 TYR A 10 1.592 15.080 15.112 1.00 50.00 H new ATOM 0 HB3 TYR A 10 1.019 15.190 13.460 1.00 50.00 H new ATOM 0 HD1 TYR A 10 3.553 17.074 15.523 1.00 50.00 H new ATOM 0 HD2 TYR A 10 2.730 14.931 11.892 1.00 50.00 H new ATOM 0 HE1 TYR A 10 5.874 17.491 14.749 1.00 50.00 H new ATOM 0 HE2 TYR A 10 5.047 15.352 11.117 1.00 50.00 H new ATOM 0 HH TYR A 10 7.028 16.275 11.570 1.00 49.57 H new ATOM 163 N GLY A 11 -0.237 17.548 12.468 1.00 50.00 N ATOM 164 CA GLY A 11 -1.444 17.727 11.611 1.00 50.00 C ATOM 165 C GLY A 11 -1.405 16.725 10.458 1.00 50.00 C ATOM 166 O GLY A 11 -0.706 16.910 9.482 1.00 50.00 O ATOM 0 H GLY A 11 0.656 17.699 11.999 1.00 50.00 H new ATOM 0 HA2 GLY A 11 -2.348 17.581 12.203 1.00 50.00 H new ATOM 0 HA3 GLY A 11 -1.479 18.744 11.221 1.00 50.00 H new ATOM 170 N MET A 12 -2.152 15.662 10.564 1.00 50.00 N ATOM 171 CA MET A 12 -2.165 14.643 9.483 1.00 50.00 C ATOM 172 C MET A 12 -3.011 15.132 8.303 1.00 50.00 C ATOM 173 O MET A 12 -4.208 15.309 8.417 1.00 50.00 O ATOM 174 CB MET A 12 -2.800 13.414 10.130 1.00 50.00 C ATOM 175 CG MET A 12 -2.025 13.050 11.398 1.00 50.00 C ATOM 176 SD MET A 12 -2.937 11.788 12.322 1.00 50.00 S ATOM 177 CE MET A 12 -2.834 10.478 11.078 1.00 50.00 C ATOM 0 H MET A 12 -2.757 15.456 11.359 1.00 50.00 H new ATOM 0 HA MET A 12 -1.171 14.435 9.088 1.00 50.00 H new ATOM 0 HB2 MET A 12 -3.843 13.616 10.373 1.00 50.00 H new ATOM 0 HB3 MET A 12 -2.791 12.577 9.432 1.00 50.00 H new ATOM 0 HG2 MET A 12 -1.034 12.680 11.137 1.00 50.00 H new ATOM 0 HG3 MET A 12 -1.882 13.936 12.016 1.00 50.00 H new ATOM 0 HE1 MET A 12 -2.921 9.507 11.565 1.00 50.00 H new ATOM 0 HE2 MET A 12 -3.643 10.597 10.357 1.00 50.00 H new ATOM 0 HE3 MET A 12 -1.876 10.541 10.562 1.00 50.00 H new ATOM 187 N CYS A 13 -2.399 15.354 7.170 1.00 99.99 N ATOM 188 CA CYS A 13 -3.177 15.831 5.989 1.00 99.99 C ATOM 189 C CYS A 13 -2.549 15.319 4.686 1.00 99.99 C ATOM 190 O CYS A 13 -1.504 15.767 4.269 1.00 99.99 O ATOM 191 CB CYS A 13 -3.115 17.363 6.076 1.00 99.99 C ATOM 192 SG CYS A 13 -1.530 17.982 5.440 1.00 99.99 S ATOM 0 H CYS A 13 -1.400 15.227 7.011 1.00 99.99 H new ATOM 0 HA CYS A 13 -4.204 15.467 5.990 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -3.936 17.798 5.505 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -3.245 17.678 7.111 1.00 99.99 H new ATOM 197 N THR A 14 -3.179 14.386 4.031 1.00 99.99 N ATOM 198 CA THR A 14 -2.601 13.867 2.758 1.00 99.99 C ATOM 199 C THR A 14 -3.670 13.144 1.934 1.00 99.99 C ATOM 200 O THR A 14 -3.424 12.102 1.362 1.00 99.99 O ATOM 201 CB THR A 14 -1.502 12.896 3.193 1.00 99.99 C ATOM 202 OG1 THR A 14 -1.199 13.107 4.566 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.248 13.133 2.351 1.00 99.99 C ATOM 0 H THR A 14 -4.062 13.962 4.317 1.00 99.99 H new ATOM 0 HA THR A 14 -2.214 14.666 2.126 1.00 99.99 H new ATOM 0 HB THR A 14 -1.846 11.872 3.050 1.00 99.99 H new ATOM 0 HG1 THR A 14 -0.228 13.070 4.696 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.535 12.441 2.661 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.480 12.970 1.299 1.00 99.99 H new ATOM 0 HG23 THR A 14 0.097 14.157 2.492 1.00 99.99 H new ATOM 211 N GLU A 15 -4.854 13.688 1.865 1.00 99.99 N ATOM 212 CA GLU A 15 -5.930 13.026 1.073 1.00 99.99 C ATOM 213 C GLU A 15 -5.617 13.123 -0.423 1.00 99.99 C ATOM 214 O GLU A 15 -6.326 12.589 -1.252 1.00 99.99 O ATOM 215 CB GLU A 15 -7.205 13.802 1.406 1.00 99.99 C ATOM 216 CG GLU A 15 -8.361 13.274 0.556 1.00 99.99 C ATOM 217 CD GLU A 15 -8.457 14.085 -0.737 1.00 99.99 C ATOM 218 OE1 GLU A 15 -8.114 15.256 -0.706 1.00 99.99 O ATOM 219 OE2 GLU A 15 -8.873 13.523 -1.737 1.00 99.99 O ATOM 0 H GLU A 15 -5.123 14.560 2.321 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.026 11.967 1.311 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -7.441 13.697 2.465 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.056 14.865 1.216 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -8.205 12.220 0.326 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -9.296 13.344 1.112 1.00 99.99 H new ATOM 226 N LYS A 16 -4.557 13.801 -0.772 1.00 50.00 N ATOM 227 CA LYS A 16 -4.195 13.934 -2.212 1.00 50.00 C ATOM 228 C LYS A 16 -3.490 12.664 -2.700 1.00 50.00 C ATOM 229 O LYS A 16 -2.344 12.696 -3.098 1.00 50.00 O ATOM 230 CB LYS A 16 -3.241 15.128 -2.271 1.00 50.00 C ATOM 231 CG LYS A 16 -3.877 16.333 -1.571 1.00 50.00 C ATOM 232 CD LYS A 16 -3.115 16.637 -0.279 1.00 50.00 C ATOM 233 CE LYS A 16 -3.771 17.824 0.433 1.00 50.00 C ATOM 234 NZ LYS A 16 -4.150 17.305 1.776 1.00 50.00 N ATOM 0 H LYS A 16 -3.926 14.269 -0.121 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.070 14.077 -2.846 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.296 14.874 -1.792 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.016 15.375 -3.309 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -3.857 17.201 -2.230 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -4.924 16.126 -1.348 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -3.117 15.762 0.372 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -2.073 16.865 -0.504 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -3.082 18.665 0.515 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.644 18.179 -0.114 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -4.637 18.052 2.312 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -4.784 16.488 1.666 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -3.294 17.012 2.289 1.00 50.00 H new ATOM 248 N PHE A 17 -4.164 11.547 -2.670 1.00 50.00 N ATOM 249 CA PHE A 17 -3.526 10.279 -3.131 1.00 50.00 C ATOM 250 C PHE A 17 -4.020 9.911 -4.530 1.00 50.00 C ATOM 251 O PHE A 17 -5.181 10.070 -4.855 1.00 50.00 O ATOM 252 CB PHE A 17 -3.961 9.222 -2.113 1.00 50.00 C ATOM 253 CG PHE A 17 -2.767 8.786 -1.300 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.810 9.728 -0.904 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.616 7.441 -0.941 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.701 9.325 -0.149 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.508 7.038 -0.186 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.551 7.980 0.209 1.00 50.00 C ATOM 0 H PHE A 17 -5.127 11.456 -2.347 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.441 10.365 -3.193 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.732 9.628 -1.458 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.398 8.365 -2.626 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.927 10.765 -1.181 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.354 6.714 -1.247 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.038 10.051 0.157 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -1.392 6.001 0.092 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.304 7.669 0.791 1.00 50.00 H new ATOM 268 N SER A 18 -3.146 9.416 -5.361 1.00 50.00 N ATOM 269 CA SER A 18 -3.557 9.031 -6.740 1.00 50.00 C ATOM 270 C SER A 18 -3.170 7.576 -7.009 1.00 50.00 C ATOM 271 O SER A 18 -2.013 7.216 -6.955 1.00 50.00 O ATOM 272 CB SER A 18 -2.784 9.974 -7.661 1.00 50.00 C ATOM 273 OG SER A 18 -3.482 10.103 -8.893 1.00 50.00 O ATOM 0 H SER A 18 -2.162 9.261 -5.144 1.00 50.00 H new ATOM 0 HA SER A 18 -4.633 9.110 -6.893 1.00 50.00 H new ATOM 0 HB2 SER A 18 -2.671 10.950 -7.189 1.00 50.00 H new ATOM 0 HB3 SER A 18 -1.780 9.587 -7.837 1.00 50.00 H new ATOM 0 HG SER A 18 -2.990 10.709 -9.486 1.00 50.00 H new ATOM 279 N PHE A 19 -4.126 6.734 -7.293 1.00 50.00 N ATOM 280 CA PHE A 19 -3.798 5.301 -7.555 1.00 50.00 C ATOM 281 C PHE A 19 -3.138 5.150 -8.926 1.00 50.00 C ATOM 282 O PHE A 19 -3.778 5.277 -9.951 1.00 50.00 O ATOM 283 CB PHE A 19 -5.137 4.560 -7.527 1.00 50.00 C ATOM 284 CG PHE A 19 -6.048 5.179 -6.491 1.00 50.00 C ATOM 285 CD1 PHE A 19 -5.762 5.029 -5.128 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.176 5.901 -6.895 1.00 50.00 C ATOM 287 CE1 PHE A 19 -6.607 5.602 -4.171 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.020 6.474 -5.938 1.00 50.00 C ATOM 289 CZ PHE A 19 -7.736 6.325 -4.575 1.00 50.00 C ATOM 0 H PHE A 19 -5.116 6.973 -7.355 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.101 4.905 -6.816 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.607 4.604 -8.509 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.975 3.507 -7.298 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -4.891 4.472 -4.816 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.395 6.016 -7.946 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -6.388 5.486 -3.120 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.891 7.031 -6.250 1.00 50.00 H new ATOM 0 HZ PHE A 19 -8.387 6.767 -3.836 1.00 50.00 H new ATOM 299 N ALA A 20 -1.865 4.872 -8.955 1.00 50.00 N ATOM 300 CA ALA A 20 -1.168 4.707 -10.262 1.00 50.00 C ATOM 301 C ALA A 20 -1.125 3.225 -10.647 1.00 50.00 C ATOM 302 O ALA A 20 -1.189 2.875 -11.809 1.00 50.00 O ATOM 303 CB ALA A 20 0.245 5.243 -10.031 1.00 50.00 C ATOM 0 H ALA A 20 -1.276 4.752 -8.131 1.00 50.00 H new ATOM 0 HA ALA A 20 -1.673 5.234 -11.071 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.822 5.155 -10.951 1.00 50.00 H new ATOM 0 HB2 ALA A 20 0.193 6.290 -9.734 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.729 4.666 -9.243 1.00 50.00 H new ATOM 309 N LYS A 21 -1.021 2.353 -9.681 1.00 50.00 N ATOM 310 CA LYS A 21 -0.979 0.895 -9.996 1.00 50.00 C ATOM 311 C LYS A 21 -1.701 0.098 -8.907 1.00 50.00 C ATOM 312 O LYS A 21 -1.740 0.492 -7.759 1.00 50.00 O ATOM 313 CB LYS A 21 0.508 0.536 -10.026 1.00 50.00 C ATOM 314 CG LYS A 21 1.289 1.639 -10.743 1.00 50.00 C ATOM 315 CD LYS A 21 2.601 1.066 -11.284 1.00 50.00 C ATOM 316 CE LYS A 21 3.306 0.272 -10.183 1.00 50.00 C ATOM 317 NZ LYS A 21 4.433 -0.420 -10.869 1.00 50.00 N ATOM 0 H LYS A 21 -0.963 2.586 -8.690 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.472 0.663 -10.940 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.883 0.413 -9.010 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.652 -0.416 -10.537 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.694 2.048 -11.560 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.494 2.460 -10.056 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.403 0.422 -12.141 1.00 50.00 H new ATOM 0 HD3 LYS A 21 3.245 1.873 -11.634 1.00 50.00 H new ATOM 0 HE2 LYS A 21 3.669 0.929 -9.393 1.00 50.00 H new ATOM 0 HE3 LYS A 21 2.629 -0.443 -9.717 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 4.965 -0.986 -10.178 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 4.057 -1.044 -11.611 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 5.065 0.286 -11.297 1.00 50.00 H new ATOM 331 N ASN A 22 -2.272 -1.020 -9.259 1.00 50.00 N ATOM 332 CA ASN A 22 -2.991 -1.842 -8.243 1.00 50.00 C ATOM 333 C ASN A 22 -1.992 -2.454 -7.259 1.00 50.00 C ATOM 334 O ASN A 22 -0.803 -2.474 -7.511 1.00 50.00 O ATOM 335 CB ASN A 22 -3.694 -2.937 -9.047 1.00 50.00 C ATOM 336 CG ASN A 22 -4.356 -2.324 -10.280 1.00 50.00 C ATOM 337 OD1 ASN A 22 -4.774 -1.182 -10.256 1.00 50.00 O ATOM 338 ND2 ASN A 22 -4.471 -3.037 -11.368 1.00 50.00 N ATOM 0 H ASN A 22 -2.273 -1.401 -10.205 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.695 -1.253 -7.655 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -2.975 -3.699 -9.349 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -4.442 -3.432 -8.429 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -4.911 -2.636 -12.196 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -4.121 -3.995 -11.389 1.00 50.00 H new ATOM 345 N PRO A 23 -2.513 -2.936 -6.164 1.00 50.00 N ATOM 346 CA PRO A 23 -1.660 -3.558 -5.123 1.00 50.00 C ATOM 347 C PRO A 23 -1.159 -4.926 -5.594 1.00 50.00 C ATOM 348 O PRO A 23 -1.935 -5.802 -5.920 1.00 50.00 O ATOM 349 CB PRO A 23 -2.601 -3.703 -3.929 1.00 50.00 C ATOM 350 CG PRO A 23 -3.975 -3.748 -4.521 1.00 50.00 C ATOM 351 CD PRO A 23 -3.933 -2.945 -5.797 1.00 50.00 C ATOM 0 HA PRO A 23 -0.771 -2.973 -4.889 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.385 -4.610 -3.364 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.496 -2.865 -3.240 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -4.274 -4.777 -4.723 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.707 -3.333 -3.828 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.544 -3.401 -6.576 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.313 -1.935 -5.645 1.00 50.00 H new ATOM 359 N ALA A 24 0.131 -5.115 -5.635 1.00 50.00 N ATOM 360 CA ALA A 24 0.675 -6.428 -6.087 1.00 50.00 C ATOM 361 C ALA A 24 1.561 -7.038 -4.999 1.00 50.00 C ATOM 362 O ALA A 24 2.294 -6.347 -4.321 1.00 50.00 O ATOM 363 CB ALA A 24 1.502 -6.106 -7.333 1.00 50.00 C ATOM 0 H ALA A 24 0.831 -4.420 -5.376 1.00 50.00 H new ATOM 0 HA ALA A 24 -0.114 -7.151 -6.296 1.00 50.00 H new ATOM 0 HB1 ALA A 24 1.938 -7.024 -7.728 1.00 50.00 H new ATOM 0 HB2 ALA A 24 0.860 -5.655 -8.089 1.00 50.00 H new ATOM 0 HB3 ALA A 24 2.298 -5.409 -7.071 1.00 50.00 H new ATOM 369 N ASP A 25 1.497 -8.330 -4.825 1.00 50.00 N ATOM 370 CA ASP A 25 2.334 -8.985 -3.780 1.00 50.00 C ATOM 371 C ASP A 25 3.754 -9.218 -4.305 1.00 50.00 C ATOM 372 O ASP A 25 3.948 -9.729 -5.391 1.00 50.00 O ATOM 373 CB ASP A 25 1.642 -10.319 -3.496 1.00 50.00 C ATOM 374 CG ASP A 25 1.825 -11.255 -4.690 1.00 50.00 C ATOM 375 OD1 ASP A 25 2.868 -11.881 -4.773 1.00 50.00 O ATOM 376 OD2 ASP A 25 0.917 -11.332 -5.502 1.00 50.00 O ATOM 0 H ASP A 25 0.901 -8.960 -5.362 1.00 50.00 H new ATOM 0 HA ASP A 25 2.425 -8.373 -2.882 1.00 50.00 H new ATOM 0 HB2 ASP A 25 2.060 -10.773 -2.598 1.00 50.00 H new ATOM 0 HB3 ASP A 25 0.581 -10.157 -3.307 1.00 50.00 H new ATOM 381 N THR A 26 4.746 -8.850 -3.542 1.00 50.00 N ATOM 382 CA THR A 26 6.153 -9.052 -3.997 1.00 50.00 C ATOM 383 C THR A 26 6.924 -9.886 -2.971 1.00 50.00 C ATOM 384 O THR A 26 7.986 -9.506 -2.519 1.00 50.00 O ATOM 385 CB THR A 26 6.742 -7.645 -4.096 1.00 50.00 C ATOM 386 OG1 THR A 26 6.201 -6.833 -3.063 1.00 50.00 O ATOM 387 CG2 THR A 26 6.397 -7.039 -5.457 1.00 50.00 C ATOM 0 H THR A 26 4.645 -8.418 -2.623 1.00 50.00 H new ATOM 0 HA THR A 26 6.209 -9.585 -4.946 1.00 50.00 H new ATOM 0 HB THR A 26 7.825 -7.697 -3.989 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.857 -6.152 -2.804 1.00 50.00 H new ATOM 0 HG21 THR A 26 6.818 -6.036 -5.526 1.00 50.00 H new ATOM 0 HG22 THR A 26 6.813 -7.662 -6.249 1.00 50.00 H new ATOM 0 HG23 THR A 26 5.314 -6.987 -5.568 1.00 50.00 H new ATOM 395 N GLY A 27 6.398 -11.021 -2.601 1.00 50.00 N ATOM 396 CA GLY A 27 7.097 -11.879 -1.605 1.00 50.00 C ATOM 397 C GLY A 27 6.065 -12.686 -0.815 1.00 50.00 C ATOM 398 O GLY A 27 5.204 -13.330 -1.379 1.00 50.00 O ATOM 0 H GLY A 27 5.513 -11.391 -2.946 1.00 50.00 H new ATOM 0 HA2 GLY A 27 7.790 -12.551 -2.111 1.00 50.00 H new ATOM 0 HA3 GLY A 27 7.688 -11.262 -0.928 1.00 50.00 H new ATOM 402 N HIS A 28 6.143 -12.656 0.488 1.00 50.00 N ATOM 403 CA HIS A 28 5.161 -13.421 1.309 1.00 50.00 C ATOM 404 C HIS A 28 4.322 -12.464 2.159 1.00 50.00 C ATOM 405 O HIS A 28 4.720 -12.059 3.233 1.00 50.00 O ATOM 406 CB HIS A 28 6.011 -14.328 2.200 1.00 50.00 C ATOM 407 CG HIS A 28 6.144 -15.681 1.556 1.00 50.00 C ATOM 408 ND1 HIS A 28 5.089 -16.579 1.497 1.00 50.00 N ATOM 409 CD2 HIS A 28 7.201 -16.302 0.937 1.00 50.00 C ATOM 410 CE1 HIS A 28 5.530 -17.681 0.864 1.00 50.00 C ATOM 411 NE2 HIS A 28 6.810 -17.565 0.500 1.00 50.00 N ATOM 0 H HIS A 28 6.842 -12.136 1.018 1.00 50.00 H new ATOM 0 HA HIS A 28 4.464 -13.991 0.695 1.00 50.00 H new ATOM 0 HB2 HIS A 28 6.996 -13.887 2.352 1.00 50.00 H new ATOM 0 HB3 HIS A 28 5.551 -14.425 3.183 1.00 50.00 H new ATOM 0 HD2 HIS A 28 8.185 -15.876 0.809 1.00 50.00 H new ATOM 0 HE1 HIS A 28 4.923 -18.554 0.673 1.00 50.00 H new ATOM 0 HE2 HIS A 28 7.379 -18.254 0.008 1.00 50.00 H new ATOM 419 N GLY A 29 3.162 -12.101 1.686 1.00 50.00 N ATOM 420 CA GLY A 29 2.297 -11.171 2.466 1.00 50.00 C ATOM 421 C GLY A 29 2.789 -9.735 2.278 1.00 50.00 C ATOM 422 O GLY A 29 2.539 -8.871 3.095 1.00 50.00 O ATOM 0 H GLY A 29 2.775 -12.408 0.793 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.262 -11.258 2.136 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.318 -11.438 3.523 1.00 50.00 H new ATOM 426 N THR A 30 3.488 -9.472 1.207 1.00 50.00 N ATOM 427 CA THR A 30 3.995 -8.090 0.971 1.00 50.00 C ATOM 428 C THR A 30 3.391 -7.517 -0.314 1.00 50.00 C ATOM 429 O THR A 30 3.742 -7.916 -1.407 1.00 50.00 O ATOM 430 CB THR A 30 5.509 -8.243 0.829 1.00 50.00 C ATOM 431 OG1 THR A 30 5.804 -9.509 0.258 1.00 50.00 O ATOM 432 CG2 THR A 30 6.168 -8.135 2.205 1.00 50.00 C ATOM 0 H THR A 30 3.729 -10.153 0.487 1.00 50.00 H new ATOM 0 HA THR A 30 3.728 -7.409 1.779 1.00 50.00 H new ATOM 0 HB THR A 30 5.894 -7.454 0.183 1.00 50.00 H new ATOM 0 HG1 THR A 30 6.775 -9.608 0.165 1.00 50.00 H new ATOM 0 HG21 THR A 30 7.247 -8.244 2.101 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.942 -7.162 2.641 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.785 -8.922 2.855 1.00 50.00 H new ATOM 440 N VAL A 31 2.488 -6.584 -0.191 1.00 50.00 N ATOM 441 CA VAL A 31 1.864 -5.986 -1.398 1.00 50.00 C ATOM 442 C VAL A 31 2.455 -4.599 -1.667 1.00 50.00 C ATOM 443 O VAL A 31 2.648 -3.812 -0.763 1.00 50.00 O ATOM 444 CB VAL A 31 0.376 -5.882 -1.068 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.407 -5.553 -2.339 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.112 -7.217 -0.501 1.00 50.00 C ATOM 0 H VAL A 31 2.156 -6.210 0.698 1.00 50.00 H new ATOM 0 HA VAL A 31 2.040 -6.584 -2.292 1.00 50.00 H new ATOM 0 HB VAL A 31 0.221 -5.093 -0.332 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.469 -5.479 -2.103 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.058 -4.604 -2.746 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.253 -6.342 -3.076 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.174 -7.146 -0.265 1.00 50.00 H new ATOM 0 HG22 VAL A 31 0.043 -8.004 -1.239 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.446 -7.453 0.405 1.00 50.00 H new ATOM 456 N VAL A 32 2.743 -4.294 -2.902 1.00 50.00 N ATOM 457 CA VAL A 32 3.319 -2.961 -3.222 1.00 50.00 C ATOM 458 C VAL A 32 2.304 -2.116 -3.997 1.00 50.00 C ATOM 459 O VAL A 32 1.647 -2.589 -4.902 1.00 50.00 O ATOM 460 CB VAL A 32 4.543 -3.254 -4.091 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.747 -3.554 -3.195 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.268 -4.461 -4.992 1.00 50.00 C ATOM 0 H VAL A 32 2.604 -4.911 -3.702 1.00 50.00 H new ATOM 0 HA VAL A 32 3.580 -2.401 -2.324 1.00 50.00 H new ATOM 0 HB VAL A 32 4.755 -2.383 -4.712 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.619 -3.763 -3.815 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.951 -2.692 -2.560 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.529 -4.421 -2.571 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.145 -4.663 -5.608 1.00 50.00 H new ATOM 0 HG22 VAL A 32 4.049 -5.333 -4.376 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.414 -4.248 -5.635 1.00 50.00 H new ATOM 472 N ILE A 33 2.177 -0.867 -3.646 1.00 50.00 N ATOM 473 CA ILE A 33 1.211 0.021 -4.356 1.00 50.00 C ATOM 474 C ILE A 33 1.908 1.322 -4.760 1.00 50.00 C ATOM 475 O ILE A 33 2.764 1.821 -4.057 1.00 50.00 O ATOM 476 CB ILE A 33 0.105 0.293 -3.337 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.084 0.954 -4.038 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.633 1.224 -2.245 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.356 0.710 -3.222 1.00 50.00 C ATOM 0 H ILE A 33 2.702 -0.420 -2.895 1.00 50.00 H new ATOM 0 HA ILE A 33 0.817 -0.428 -5.268 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.214 -0.648 -2.889 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -0.908 2.024 -4.146 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -1.200 0.547 -5.043 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.156 1.417 -1.519 1.00 50.00 H new ATOM 0 HG22 ILE A 33 1.480 0.754 -1.744 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.953 2.165 -2.692 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.204 1.180 -3.720 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.534 -0.362 -3.137 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.237 1.138 -2.226 1.00 50.00 H new ATOM 491 N GLU A 34 1.561 1.870 -5.892 1.00 50.00 N ATOM 492 CA GLU A 34 2.219 3.130 -6.333 1.00 50.00 C ATOM 493 C GLU A 34 1.180 4.229 -6.563 1.00 50.00 C ATOM 494 O GLU A 34 0.470 4.229 -7.548 1.00 50.00 O ATOM 495 CB GLU A 34 2.915 2.773 -7.646 1.00 50.00 C ATOM 496 CG GLU A 34 4.352 3.296 -7.623 1.00 50.00 C ATOM 497 CD GLU A 34 4.625 4.097 -8.896 1.00 50.00 C ATOM 498 OE1 GLU A 34 3.795 4.054 -9.789 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.660 4.742 -8.957 1.00 50.00 O ATOM 0 H GLU A 34 0.854 1.501 -6.527 1.00 50.00 H new ATOM 0 HA GLU A 34 2.917 3.509 -5.586 1.00 50.00 H new ATOM 0 HB2 GLU A 34 2.913 1.692 -7.788 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.373 3.206 -8.486 1.00 50.00 H new ATOM 0 HG2 GLU A 34 4.508 3.924 -6.746 1.00 50.00 H new ATOM 0 HG3 GLU A 34 5.052 2.464 -7.548 1.00 50.00 H new ATOM 506 N LEU A 35 1.095 5.175 -5.667 1.00 50.00 N ATOM 507 CA LEU A 35 0.111 6.281 -5.845 1.00 50.00 C ATOM 508 C LEU A 35 0.842 7.622 -5.827 1.00 50.00 C ATOM 509 O LEU A 35 1.772 7.817 -5.074 1.00 50.00 O ATOM 510 CB LEU A 35 -0.852 6.181 -4.659 1.00 50.00 C ATOM 511 CG LEU A 35 -1.025 4.718 -4.252 1.00 50.00 C ATOM 512 CD1 LEU A 35 0.120 4.314 -3.327 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.358 4.548 -3.521 1.00 50.00 C ATOM 0 H LEU A 35 1.663 5.230 -4.821 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.422 6.207 -6.793 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.468 6.759 -3.818 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.818 6.610 -4.926 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.016 4.086 -5.140 1.00 50.00 H new ATOM 0 HD11 LEU A 35 0.000 3.271 -3.034 1.00 50.00 H new ATOM 0 HD12 LEU A 35 1.070 4.438 -3.848 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.109 4.944 -2.438 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.483 3.505 -3.230 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.367 5.177 -2.631 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.175 4.841 -4.181 1.00 50.00 H new ATOM 525 N SER A 36 0.434 8.549 -6.647 1.00 50.00 N ATOM 526 CA SER A 36 1.112 9.865 -6.676 1.00 50.00 C ATOM 527 C SER A 36 0.435 10.817 -5.700 1.00 50.00 C ATOM 528 O SER A 36 -0.768 10.982 -5.719 1.00 50.00 O ATOM 529 CB SER A 36 0.956 10.363 -8.111 1.00 50.00 C ATOM 530 OG SER A 36 0.907 9.248 -8.992 1.00 50.00 O ATOM 0 H SER A 36 -0.343 8.447 -7.299 1.00 50.00 H new ATOM 0 HA SER A 36 2.160 9.800 -6.385 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.046 10.956 -8.206 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.790 11.014 -8.375 1.00 50.00 H new ATOM 0 HG SER A 36 0.805 9.564 -9.914 1.00 50.00 H new ATOM 536 N TYR A 37 1.188 11.444 -4.846 1.00 50.00 N ATOM 537 CA TYR A 37 0.556 12.378 -3.882 1.00 50.00 C ATOM 538 C TYR A 37 0.534 13.789 -4.471 1.00 50.00 C ATOM 539 O TYR A 37 1.513 14.508 -4.426 1.00 50.00 O ATOM 540 CB TYR A 37 1.429 12.316 -2.628 1.00 50.00 C ATOM 541 CG TYR A 37 1.182 13.541 -1.780 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.097 13.796 -1.270 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.233 14.423 -1.503 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.325 14.931 -0.484 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.006 15.560 -0.718 1.00 50.00 C ATOM 546 CZ TYR A 37 0.727 15.814 -0.208 1.00 50.00 C ATOM 547 OH TYR A 37 0.501 16.933 0.566 1.00 49.57 O ATOM 0 H TYR A 37 2.201 11.352 -4.774 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.477 12.112 -3.656 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.202 11.415 -2.058 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.481 12.260 -2.907 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.908 13.116 -1.484 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.220 14.226 -1.895 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.312 15.126 -0.090 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.817 16.241 -0.506 1.00 50.00 H new ATOM 0 HH TYR A 37 -0.386 17.297 0.363 1.00 49.57 H new ATOM 557 N SER A 38 -0.576 14.190 -5.026 1.00 50.00 N ATOM 558 CA SER A 38 -0.662 15.546 -5.620 1.00 50.00 C ATOM 559 C SER A 38 -1.104 16.547 -4.556 1.00 50.00 C ATOM 560 O SER A 38 -2.204 17.061 -4.590 1.00 50.00 O ATOM 561 CB SER A 38 -1.713 15.433 -6.722 1.00 50.00 C ATOM 562 OG SER A 38 -1.066 15.209 -7.968 1.00 50.00 O ATOM 0 H SER A 38 -1.428 13.633 -5.092 1.00 50.00 H new ATOM 0 HA SER A 38 0.295 15.892 -6.011 1.00 50.00 H new ATOM 0 HB2 SER A 38 -2.399 14.615 -6.503 1.00 50.00 H new ATOM 0 HB3 SER A 38 -2.308 16.345 -6.767 1.00 50.00 H new ATOM 0 HG SER A 38 -1.738 15.134 -8.677 1.00 50.00 H new ATOM 568 N GLY A 39 -0.256 16.820 -3.608 1.00 99.99 N ATOM 569 CA GLY A 39 -0.628 17.779 -2.535 1.00 99.99 C ATOM 570 C GLY A 39 0.406 18.902 -2.469 1.00 99.99 C ATOM 571 O GLY A 39 1.576 18.669 -2.238 1.00 99.99 O ATOM 0 H GLY A 39 0.679 16.420 -3.529 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -1.617 18.193 -2.731 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -0.682 17.264 -1.576 1.00 99.99 H new ATOM 575 N SER A 40 -0.016 20.120 -2.672 1.00 99.99 N ATOM 576 CA SER A 40 0.943 21.260 -2.622 1.00 99.99 C ATOM 577 C SER A 40 1.106 21.753 -1.183 1.00 99.99 C ATOM 578 O SER A 40 1.536 22.863 -0.943 1.00 99.99 O ATOM 579 CB SER A 40 0.311 22.345 -3.492 1.00 99.99 C ATOM 580 OG SER A 40 0.510 22.026 -4.863 1.00 99.99 O ATOM 0 H SER A 40 -0.983 20.375 -2.870 1.00 99.99 H new ATOM 0 HA SER A 40 1.936 20.980 -2.975 1.00 99.99 H new ATOM 0 HB2 SER A 40 -0.755 22.425 -3.277 1.00 99.99 H new ATOM 0 HB3 SER A 40 0.755 23.314 -3.264 1.00 99.99 H new ATOM 0 HG SER A 40 0.104 22.720 -5.423 1.00 99.99 H new ATOM 586 N ASP A 41 0.767 20.936 -0.223 1.00 99.99 N ATOM 587 CA ASP A 41 0.906 21.362 1.198 1.00 99.99 C ATOM 588 C ASP A 41 2.216 20.827 1.782 1.00 99.99 C ATOM 589 O ASP A 41 2.541 21.069 2.928 1.00 99.99 O ATOM 590 CB ASP A 41 -0.295 20.745 1.917 1.00 99.99 C ATOM 591 CG ASP A 41 -0.347 19.244 1.629 1.00 99.99 C ATOM 592 OD1 ASP A 41 -0.900 18.875 0.605 1.00 99.99 O ATOM 593 OD2 ASP A 41 0.167 18.486 2.436 1.00 99.99 O ATOM 0 H ASP A 41 0.401 19.994 -0.361 1.00 99.99 H new ATOM 0 HA ASP A 41 0.930 22.447 1.305 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.217 20.917 2.990 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -1.216 21.222 1.583 1.00 99.99 H new ATOM 598 N GLY A 42 2.971 20.102 1.004 1.00 99.99 N ATOM 599 CA GLY A 42 4.258 19.553 1.516 1.00 99.99 C ATOM 600 C GLY A 42 4.016 18.169 2.119 1.00 99.99 C ATOM 601 O GLY A 42 3.042 17.516 1.804 1.00 99.99 O ATOM 0 H GLY A 42 2.753 19.866 0.036 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.985 19.487 0.707 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.677 20.221 2.268 1.00 99.99 H new ATOM 605 N PRO A 43 4.918 17.768 2.976 1.00 99.99 N ATOM 606 CA PRO A 43 4.802 16.448 3.638 1.00 99.99 C ATOM 607 C PRO A 43 3.689 16.479 4.689 1.00 99.99 C ATOM 608 O PRO A 43 3.385 17.510 5.257 1.00 99.99 O ATOM 609 CB PRO A 43 6.170 16.249 4.285 1.00 99.99 C ATOM 610 CG PRO A 43 6.715 17.628 4.478 1.00 99.99 C ATOM 611 CD PRO A 43 6.116 18.500 3.403 1.00 99.99 C ATOM 0 HA PRO A 43 4.546 15.640 2.952 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.083 15.723 5.236 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.824 15.652 3.649 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.460 18.007 5.467 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.803 17.625 4.409 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.864 19.489 3.786 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.810 18.646 2.575 1.00 99.99 H new ATOM 619 N CYS A 44 3.072 15.359 4.944 1.00 50.00 N ATOM 620 CA CYS A 44 1.970 15.321 5.946 1.00 50.00 C ATOM 621 C CYS A 44 1.583 13.868 6.236 1.00 50.00 C ATOM 622 O CYS A 44 1.887 12.974 5.470 1.00 50.00 O ATOM 623 CB CYS A 44 0.814 16.061 5.277 1.00 50.00 C ATOM 624 SG CYS A 44 -0.114 17.011 6.512 1.00 50.00 S ATOM 0 H CYS A 44 3.284 14.465 4.500 1.00 50.00 H new ATOM 0 HA CYS A 44 2.249 15.774 6.897 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.197 16.729 4.506 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.153 15.349 4.783 1.00 50.00 H new ATOM 629 N LYS A 45 0.915 13.618 7.329 1.00 50.00 N ATOM 630 CA LYS A 45 0.515 12.216 7.647 1.00 50.00 C ATOM 631 C LYS A 45 -0.726 11.826 6.839 1.00 50.00 C ATOM 632 O LYS A 45 -1.795 12.370 7.025 1.00 50.00 O ATOM 633 CB LYS A 45 0.199 12.211 9.145 1.00 50.00 C ATOM 634 CG LYS A 45 1.231 13.052 9.903 1.00 50.00 C ATOM 635 CD LYS A 45 2.643 12.621 9.503 1.00 50.00 C ATOM 636 CE LYS A 45 3.427 13.839 9.010 1.00 50.00 C ATOM 637 NZ LYS A 45 4.844 13.384 8.948 1.00 50.00 N ATOM 0 H LYS A 45 0.630 14.319 8.013 1.00 50.00 H new ATOM 0 HA LYS A 45 1.300 11.502 7.398 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.801 12.609 9.315 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.204 11.188 9.522 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.087 14.109 9.681 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.094 12.931 10.978 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.151 12.168 10.354 1.00 50.00 H new ATOM 0 HD3 LYS A 45 2.596 11.864 8.720 1.00 50.00 H new ATOM 0 HE2 LYS A 45 3.074 14.166 8.032 1.00 50.00 H new ATOM 0 HE3 LYS A 45 3.313 14.684 9.689 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.381 13.814 9.728 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 4.880 12.348 9.033 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.262 13.672 8.040 1.00 50.00 H new ATOM 651 N ILE A 46 -0.593 10.885 5.942 1.00 50.00 N ATOM 652 CA ILE A 46 -1.766 10.463 5.123 1.00 50.00 C ATOM 653 C ILE A 46 -2.716 9.606 5.963 1.00 50.00 C ATOM 654 O ILE A 46 -2.376 8.508 6.359 1.00 50.00 O ATOM 655 CB ILE A 46 -1.178 9.639 3.974 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.045 10.357 3.397 1.00 50.00 C ATOM 657 CG2 ILE A 46 -2.229 9.466 2.877 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.179 9.350 3.196 1.00 50.00 C ATOM 0 H ILE A 46 0.277 10.391 5.741 1.00 50.00 H new ATOM 0 HA ILE A 46 -2.341 11.315 4.760 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.880 8.661 4.350 1.00 50.00 H new ATOM 0 HG12 ILE A 46 -0.210 10.828 2.448 1.00 50.00 H new ATOM 0 HG13 ILE A 46 0.365 11.152 4.071 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.809 8.879 2.060 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -3.099 8.950 3.284 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -2.530 10.445 2.504 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.050 9.860 2.785 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.440 8.900 4.154 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.856 8.571 2.505 1.00 50.00 H new ATOM 670 N PRO A 47 -3.883 10.140 6.202 1.00 50.00 N ATOM 671 CA PRO A 47 -4.901 9.416 7.000 1.00 50.00 C ATOM 672 C PRO A 47 -5.511 8.286 6.169 1.00 50.00 C ATOM 673 O PRO A 47 -6.504 8.467 5.491 1.00 50.00 O ATOM 674 CB PRO A 47 -5.941 10.489 7.311 1.00 50.00 C ATOM 675 CG PRO A 47 -5.791 11.504 6.221 1.00 50.00 C ATOM 676 CD PRO A 47 -4.359 11.453 5.756 1.00 50.00 C ATOM 0 HA PRO A 47 -4.498 8.952 7.900 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.947 10.071 7.324 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -5.768 10.934 8.291 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -6.471 11.286 5.397 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -6.041 12.500 6.586 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -4.288 11.556 4.673 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.770 12.260 6.192 1.00 50.00 H new ATOM 684 N ILE A 48 -4.921 7.122 6.207 1.00 50.00 N ATOM 685 CA ILE A 48 -5.466 5.988 5.409 1.00 50.00 C ATOM 686 C ILE A 48 -5.727 4.773 6.302 1.00 50.00 C ATOM 687 O ILE A 48 -5.073 4.573 7.306 1.00 50.00 O ATOM 688 CB ILE A 48 -4.377 5.665 4.388 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.102 6.897 3.525 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.842 4.513 3.495 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.923 6.612 2.596 1.00 50.00 C ATOM 0 H ILE A 48 -4.088 6.908 6.755 1.00 50.00 H new ATOM 0 HA ILE A 48 -6.415 6.243 4.938 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.465 5.377 4.911 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -4.987 7.150 2.941 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -3.881 7.756 4.158 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -4.066 4.282 2.766 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -5.038 3.633 4.108 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.755 4.802 2.974 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.725 7.489 1.980 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -2.039 6.379 3.190 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -3.162 5.764 1.954 1.00 50.00 H new ATOM 703 N VAL A 49 -6.672 3.956 5.931 1.00 50.00 N ATOM 704 CA VAL A 49 -6.977 2.743 6.740 1.00 50.00 C ATOM 705 C VAL A 49 -7.093 1.532 5.813 1.00 50.00 C ATOM 706 O VAL A 49 -7.678 1.607 4.752 1.00 50.00 O ATOM 707 CB VAL A 49 -8.316 3.039 7.414 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.184 4.290 8.283 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.383 3.271 6.344 1.00 50.00 C ATOM 0 H VAL A 49 -7.249 4.076 5.099 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.203 2.519 7.474 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.604 2.193 8.038 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.139 4.501 8.764 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -7.423 4.125 9.045 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -7.896 5.137 7.660 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -10.339 3.482 6.823 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -9.095 4.117 5.720 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.477 2.379 5.725 1.00 50.00 H new ATOM 719 N SER A 50 -6.535 0.417 6.195 1.00 50.00 N ATOM 720 CA SER A 50 -6.615 -0.786 5.321 1.00 50.00 C ATOM 721 C SER A 50 -7.400 -1.897 6.018 1.00 50.00 C ATOM 722 O SER A 50 -6.936 -2.500 6.964 1.00 50.00 O ATOM 723 CB SER A 50 -5.164 -1.213 5.095 1.00 50.00 C ATOM 724 OG SER A 50 -4.297 -0.320 5.784 1.00 50.00 O ATOM 0 H SER A 50 -6.029 0.287 7.071 1.00 50.00 H new ATOM 0 HA SER A 50 -7.128 -0.578 4.382 1.00 50.00 H new ATOM 0 HB2 SER A 50 -5.013 -2.232 5.452 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.934 -1.211 4.029 1.00 50.00 H new ATOM 0 HG SER A 50 -3.660 -0.833 6.324 1.00 50.00 H new ATOM 730 N VAL A 51 -8.588 -2.173 5.555 1.00 50.00 N ATOM 731 CA VAL A 51 -9.402 -3.247 6.189 1.00 50.00 C ATOM 732 C VAL A 51 -9.962 -4.184 5.118 1.00 50.00 C ATOM 733 O VAL A 51 -10.062 -3.831 3.960 1.00 50.00 O ATOM 734 CB VAL A 51 -10.534 -2.515 6.909 1.00 50.00 C ATOM 735 CG1 VAL A 51 -9.973 -1.771 8.121 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.184 -1.512 5.953 1.00 50.00 C ATOM 0 H VAL A 51 -9.030 -1.701 4.766 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.816 -3.861 6.873 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.279 -3.238 7.240 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.781 -1.249 8.634 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.511 -2.484 8.804 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.227 -1.048 7.791 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -11.991 -0.990 6.467 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.438 -0.790 5.621 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.586 -2.041 5.089 1.00 50.00 H new ATOM 746 N ALA A 52 -10.325 -5.377 5.496 1.00 50.00 N ATOM 747 CA ALA A 52 -10.879 -6.341 4.501 1.00 50.00 C ATOM 748 C ALA A 52 -12.096 -5.733 3.797 1.00 50.00 C ATOM 749 O ALA A 52 -12.665 -4.761 4.249 1.00 50.00 O ATOM 750 CB ALA A 52 -11.288 -7.566 5.320 1.00 50.00 C ATOM 0 H ALA A 52 -10.263 -5.728 6.452 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.157 -6.594 3.725 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.706 -8.324 4.657 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -10.414 -7.972 5.829 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.036 -7.277 6.058 1.00 50.00 H new ATOM 756 N SER A 53 -12.493 -6.296 2.689 1.00 50.00 N ATOM 757 CA SER A 53 -13.668 -5.749 1.953 1.00 50.00 C ATOM 758 C SER A 53 -14.934 -5.852 2.809 1.00 50.00 C ATOM 759 O SER A 53 -15.340 -6.926 3.204 1.00 50.00 O ATOM 760 CB SER A 53 -13.794 -6.621 0.705 1.00 50.00 C ATOM 761 OG SER A 53 -14.200 -5.815 -0.393 1.00 50.00 O ATOM 0 H SER A 53 -12.054 -7.112 2.261 1.00 50.00 H new ATOM 0 HA SER A 53 -13.541 -4.695 1.706 1.00 50.00 H new ATOM 0 HB2 SER A 53 -12.840 -7.101 0.485 1.00 50.00 H new ATOM 0 HB3 SER A 53 -14.520 -7.416 0.875 1.00 50.00 H new ATOM 0 HG SER A 53 -14.548 -4.961 -0.061 1.00 50.00 H new ATOM 767 N LEU A 54 -15.559 -4.737 3.091 1.00 50.00 N ATOM 768 CA LEU A 54 -16.807 -4.763 3.916 1.00 50.00 C ATOM 769 C LEU A 54 -16.469 -4.847 5.408 1.00 50.00 C ATOM 770 O LEU A 54 -17.223 -5.386 6.193 1.00 50.00 O ATOM 771 CB LEU A 54 -17.578 -6.006 3.467 1.00 50.00 C ATOM 772 CG LEU A 54 -19.080 -5.753 3.609 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.579 -4.954 2.405 1.00 50.00 C ATOM 774 CD2 LEU A 54 -19.818 -7.093 3.673 1.00 50.00 C ATOM 0 H LEU A 54 -15.260 -3.810 2.787 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.395 -3.856 3.778 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.335 -6.244 2.431 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.285 -6.866 4.069 1.00 50.00 H new ATOM 0 HG LEU A 54 -19.269 -5.189 4.522 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.649 -4.774 2.506 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -19.053 -4.000 2.358 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.391 -5.517 1.491 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -20.888 -6.914 3.774 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -19.629 -7.656 2.759 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -19.463 -7.663 4.531 1.00 50.00 H new ATOM 786 N ASN A 55 -15.351 -4.306 5.806 1.00 50.00 N ATOM 787 CA ASN A 55 -14.981 -4.344 7.249 1.00 50.00 C ATOM 788 C ASN A 55 -14.415 -2.989 7.683 1.00 50.00 C ATOM 789 O ASN A 55 -13.219 -2.781 7.698 1.00 50.00 O ATOM 790 CB ASN A 55 -13.913 -5.434 7.356 1.00 50.00 C ATOM 791 CG ASN A 55 -14.556 -6.802 7.120 1.00 50.00 C ATOM 792 OD1 ASN A 55 -15.142 -7.374 8.017 1.00 50.00 O ATOM 793 ND2 ASN A 55 -14.470 -7.355 5.941 1.00 50.00 N ATOM 0 H ASN A 55 -14.679 -3.840 5.196 1.00 50.00 H new ATOM 0 HA ASN A 55 -15.837 -4.551 7.891 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.125 -5.259 6.623 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.445 -5.405 8.340 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -14.895 -8.267 5.773 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -13.978 -6.875 5.187 1.00 50.00 H new ATOM 800 N ASP A 56 -15.266 -2.065 8.037 1.00 50.00 N ATOM 801 CA ASP A 56 -14.774 -0.726 8.470 1.00 50.00 C ATOM 802 C ASP A 56 -14.898 -0.584 9.989 1.00 50.00 C ATOM 803 O ASP A 56 -14.744 0.488 10.538 1.00 50.00 O ATOM 804 CB ASP A 56 -15.683 0.280 7.762 1.00 50.00 C ATOM 805 CG ASP A 56 -14.932 1.599 7.570 1.00 50.00 C ATOM 806 OD1 ASP A 56 -13.801 1.554 7.116 1.00 50.00 O ATOM 807 OD2 ASP A 56 -15.501 2.633 7.882 1.00 50.00 O ATOM 0 H ASP A 56 -16.280 -2.179 8.045 1.00 50.00 H new ATOM 0 HA ASP A 56 -13.724 -0.572 8.220 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -15.998 -0.115 6.796 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -16.587 0.446 8.349 1.00 50.00 H new ATOM 812 N MET A 57 -15.174 -1.661 10.671 1.00 50.00 N ATOM 813 CA MET A 57 -15.307 -1.591 12.155 1.00 50.00 C ATOM 814 C MET A 57 -14.119 -2.282 12.825 1.00 50.00 C ATOM 815 O MET A 57 -13.884 -2.130 14.007 1.00 50.00 O ATOM 816 CB MET A 57 -16.607 -2.330 12.471 1.00 50.00 C ATOM 817 CG MET A 57 -16.950 -2.151 13.951 1.00 50.00 C ATOM 818 SD MET A 57 -17.358 -0.418 14.270 1.00 50.00 S ATOM 819 CE MET A 57 -18.480 -0.701 15.661 1.00 50.00 C ATOM 0 H MET A 57 -15.313 -2.587 10.266 1.00 50.00 H new ATOM 0 HA MET A 57 -15.323 -0.564 12.521 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.416 -1.945 11.850 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.502 -3.389 12.237 1.00 50.00 H new ATOM 0 HG2 MET A 57 -17.792 -2.789 14.220 1.00 50.00 H new ATOM 0 HG3 MET A 57 -16.107 -2.457 14.570 1.00 50.00 H new ATOM 0 HE1 MET A 57 -18.859 0.255 16.023 1.00 50.00 H new ATOM 0 HE2 MET A 57 -19.315 -1.322 15.335 1.00 50.00 H new ATOM 0 HE3 MET A 57 -17.944 -1.207 16.464 1.00 50.00 H new ATOM 829 N THR A 58 -13.367 -3.041 12.077 1.00 50.00 N ATOM 830 CA THR A 58 -12.193 -3.743 12.670 1.00 50.00 C ATOM 831 C THR A 58 -10.981 -3.622 11.744 1.00 50.00 C ATOM 832 O THR A 58 -11.114 -3.666 10.536 1.00 50.00 O ATOM 833 CB THR A 58 -12.627 -5.205 12.794 1.00 50.00 C ATOM 834 OG1 THR A 58 -13.451 -5.547 11.688 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.409 -5.402 14.094 1.00 50.00 C ATOM 0 H THR A 58 -13.514 -3.206 11.081 1.00 50.00 H new ATOM 0 HA THR A 58 -11.902 -3.320 13.632 1.00 50.00 H new ATOM 0 HB THR A 58 -11.745 -5.845 12.804 1.00 50.00 H new ATOM 0 HG1 THR A 58 -13.729 -6.484 11.764 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.717 -6.444 14.179 1.00 50.00 H new ATOM 0 HG22 THR A 58 -12.777 -5.140 14.942 1.00 50.00 H new ATOM 0 HG23 THR A 58 -14.292 -4.763 14.088 1.00 50.00 H new ATOM 843 N PRO A 59 -9.833 -3.476 12.347 1.00 50.00 N ATOM 844 CA PRO A 59 -8.574 -3.350 11.573 1.00 50.00 C ATOM 845 C PRO A 59 -8.187 -4.701 10.963 1.00 50.00 C ATOM 846 O PRO A 59 -8.276 -5.728 11.605 1.00 50.00 O ATOM 847 CB PRO A 59 -7.554 -2.911 12.619 1.00 50.00 C ATOM 848 CG PRO A 59 -8.100 -3.400 13.923 1.00 50.00 C ATOM 849 CD PRO A 59 -9.602 -3.415 13.794 1.00 50.00 C ATOM 0 HA PRO A 59 -8.649 -2.651 10.740 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.572 -3.339 12.417 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -7.434 -1.828 12.623 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -7.722 -4.397 14.150 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -7.790 -2.748 14.740 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.038 -4.274 14.304 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.049 -2.523 14.232 1.00 50.00 H new ATOM 857 N VAL A 60 -7.760 -4.707 9.731 1.00 50.00 N ATOM 858 CA VAL A 60 -7.369 -5.996 9.087 1.00 50.00 C ATOM 859 C VAL A 60 -6.176 -5.778 8.160 1.00 50.00 C ATOM 860 O VAL A 60 -5.193 -6.489 8.208 1.00 50.00 O ATOM 861 CB VAL A 60 -8.599 -6.431 8.290 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.466 -7.908 7.912 1.00 50.00 C ATOM 863 CG2 VAL A 60 -9.854 -6.236 9.142 1.00 50.00 C ATOM 0 H VAL A 60 -7.664 -3.879 9.143 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.071 -6.750 9.816 1.00 50.00 H new ATOM 0 HB VAL A 60 -8.676 -5.829 7.385 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.343 -8.219 7.344 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -7.572 -8.049 7.305 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.389 -8.510 8.818 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -10.731 -6.546 8.574 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.776 -6.838 10.047 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -9.950 -5.185 9.413 1.00 50.00 H new ATOM 873 N GLY A 61 -6.262 -4.792 7.323 1.00 50.00 N ATOM 874 CA GLY A 61 -5.142 -4.501 6.386 1.00 50.00 C ATOM 875 C GLY A 61 -4.128 -3.593 7.085 1.00 50.00 C ATOM 876 O GLY A 61 -4.485 -2.774 7.908 1.00 50.00 O ATOM 0 H GLY A 61 -7.065 -4.168 7.244 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.663 -5.429 6.073 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.521 -4.018 5.485 1.00 50.00 H new ATOM 880 N ARG A 62 -2.867 -3.731 6.775 1.00 50.00 N ATOM 881 CA ARG A 62 -1.845 -2.871 7.441 1.00 50.00 C ATOM 882 C ARG A 62 -0.795 -2.396 6.430 1.00 50.00 C ATOM 883 O ARG A 62 -0.582 -3.012 5.407 1.00 50.00 O ATOM 884 CB ARG A 62 -1.202 -3.771 8.496 1.00 50.00 C ATOM 885 CG ARG A 62 -2.286 -4.321 9.427 1.00 50.00 C ATOM 886 CD ARG A 62 -1.850 -4.136 10.882 1.00 50.00 C ATOM 887 NE ARG A 62 -1.844 -2.663 11.096 1.00 50.00 N ATOM 888 CZ ARG A 62 -1.203 -2.155 12.112 1.00 50.00 C ATOM 889 NH1 ARG A 62 -1.399 -2.630 13.311 1.00 50.00 N ATOM 890 NH2 ARG A 62 -0.365 -1.171 11.930 1.00 50.00 N ATOM 0 H ARG A 62 -2.501 -4.397 6.094 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.286 -1.974 7.877 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.671 -4.592 8.014 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.466 -3.208 9.070 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -3.229 -3.804 9.250 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.458 -5.377 9.219 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -2.538 -4.632 11.567 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -0.863 -4.565 11.056 1.00 50.00 H new ATOM 0 HE ARG A 62 -2.341 -2.051 10.448 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -2.054 -3.399 13.454 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -0.898 -2.232 14.105 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -0.211 -0.799 10.993 1.00 50.00 H new ATOM 0 HH22 ARG A 62 0.136 -0.774 12.725 1.00 50.00 H new ATOM 904 N LEU A 63 -0.138 -1.304 6.714 1.00 50.00 N ATOM 905 CA LEU A 63 0.900 -0.791 5.774 1.00 50.00 C ATOM 906 C LEU A 63 2.274 -1.352 6.152 1.00 50.00 C ATOM 907 O LEU A 63 2.845 -0.992 7.163 1.00 50.00 O ATOM 908 CB LEU A 63 0.875 0.730 5.945 1.00 50.00 C ATOM 909 CG LEU A 63 -0.229 1.325 5.069 1.00 50.00 C ATOM 910 CD1 LEU A 63 -1.559 1.284 5.822 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.118 2.777 4.730 1.00 50.00 C ATOM 0 H LEU A 63 -0.275 -0.745 7.556 1.00 50.00 H new ATOM 0 HA LEU A 63 0.707 -1.087 4.743 1.00 50.00 H new ATOM 0 HB2 LEU A 63 0.702 0.986 6.990 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.841 1.153 5.669 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.314 0.745 4.150 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -2.344 1.708 5.197 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -1.807 0.251 6.066 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -1.475 1.863 6.741 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.668 3.203 4.106 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.203 3.355 5.650 1.00 50.00 H new ATOM 0 HD23 LEU A 63 1.066 2.809 4.192 1.00 50.00 H new ATOM 923 N VAL A 64 2.807 -2.234 5.352 1.00 50.00 N ATOM 924 CA VAL A 64 4.142 -2.821 5.670 1.00 50.00 C ATOM 925 C VAL A 64 5.187 -1.715 5.843 1.00 50.00 C ATOM 926 O VAL A 64 6.001 -1.755 6.744 1.00 50.00 O ATOM 927 CB VAL A 64 4.483 -3.703 4.470 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.904 -4.250 4.623 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.495 -4.870 4.398 1.00 50.00 C ATOM 0 H VAL A 64 2.377 -2.574 4.492 1.00 50.00 H new ATOM 0 HA VAL A 64 4.130 -3.387 6.601 1.00 50.00 H new ATOM 0 HB VAL A 64 4.418 -3.112 3.557 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.146 -4.879 3.766 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.609 -3.421 4.675 1.00 50.00 H new ATOM 0 HG13 VAL A 64 5.970 -4.840 5.537 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.738 -5.500 3.542 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.561 -5.459 5.313 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.482 -4.483 4.288 1.00 50.00 H new ATOM 939 N THR A 65 5.175 -0.730 4.987 1.00 50.00 N ATOM 940 CA THR A 65 6.171 0.374 5.108 1.00 50.00 C ATOM 941 C THR A 65 5.812 1.282 6.287 1.00 50.00 C ATOM 942 O THR A 65 4.744 1.183 6.858 1.00 50.00 O ATOM 943 CB THR A 65 6.073 1.145 3.790 1.00 50.00 C ATOM 944 OG1 THR A 65 5.800 0.237 2.733 1.00 50.00 O ATOM 945 CG2 THR A 65 7.394 1.865 3.519 1.00 50.00 C ATOM 0 H THR A 65 4.520 -0.641 4.210 1.00 50.00 H new ATOM 0 HA THR A 65 7.179 0.001 5.288 1.00 50.00 H new ATOM 0 HB THR A 65 5.270 1.879 3.856 1.00 50.00 H new ATOM 0 HG1 THR A 65 6.030 0.653 1.876 1.00 50.00 H new ATOM 0 HG21 THR A 65 7.323 2.414 2.580 1.00 50.00 H new ATOM 0 HG22 THR A 65 7.602 2.561 4.331 1.00 50.00 H new ATOM 0 HG23 THR A 65 8.200 1.134 3.452 1.00 50.00 H new ATOM 953 N VAL A 66 6.697 2.169 6.655 1.00 50.00 N ATOM 954 CA VAL A 66 6.404 3.085 7.796 1.00 50.00 C ATOM 955 C VAL A 66 4.981 3.637 7.676 1.00 50.00 C ATOM 956 O VAL A 66 4.320 3.462 6.672 1.00 50.00 O ATOM 957 CB VAL A 66 7.425 4.216 7.668 1.00 50.00 C ATOM 958 CG1 VAL A 66 7.334 5.126 8.894 1.00 50.00 C ATOM 959 CG2 VAL A 66 8.833 3.623 7.577 1.00 50.00 C ATOM 0 H VAL A 66 7.609 2.299 6.216 1.00 50.00 H new ATOM 0 HA VAL A 66 6.472 2.579 8.759 1.00 50.00 H new ATOM 0 HB VAL A 66 7.215 4.795 6.769 1.00 50.00 H new ATOM 0 HG11 VAL A 66 8.062 5.932 8.803 1.00 50.00 H new ATOM 0 HG12 VAL A 66 6.331 5.548 8.960 1.00 50.00 H new ATOM 0 HG13 VAL A 66 7.544 4.547 9.793 1.00 50.00 H new ATOM 0 HG21 VAL A 66 9.562 4.428 7.486 1.00 50.00 H new ATOM 0 HG22 VAL A 66 9.043 3.044 8.476 1.00 50.00 H new ATOM 0 HG23 VAL A 66 8.899 2.974 6.704 1.00 50.00 H new ATOM 969 N ASN A 67 4.506 4.305 8.691 1.00 50.00 N ATOM 970 CA ASN A 67 3.128 4.869 8.629 1.00 50.00 C ATOM 971 C ASN A 67 2.919 5.594 7.297 1.00 50.00 C ATOM 972 O ASN A 67 3.867 6.005 6.658 1.00 50.00 O ATOM 973 CB ASN A 67 3.049 5.853 9.795 1.00 50.00 C ATOM 974 CG ASN A 67 3.329 5.117 11.106 1.00 50.00 C ATOM 975 OD1 ASN A 67 2.484 4.402 11.607 1.00 50.00 O ATOM 976 ND2 ASN A 67 4.488 5.263 11.687 1.00 50.00 N ATOM 0 H ASN A 67 5.011 4.484 9.559 1.00 50.00 H new ATOM 0 HA ASN A 67 2.360 4.098 8.697 1.00 50.00 H new ATOM 0 HB2 ASN A 67 3.772 6.657 9.656 1.00 50.00 H new ATOM 0 HB3 ASN A 67 2.062 6.314 9.829 1.00 50.00 H new ATOM 0 HD21 ASN A 67 4.685 4.777 12.562 1.00 50.00 H new ATOM 0 HD22 ASN A 67 5.197 5.863 11.266 1.00 50.00 H new ATOM 983 N PRO A 68 1.676 5.729 6.925 1.00 50.00 N ATOM 984 CA PRO A 68 1.334 6.413 5.655 1.00 50.00 C ATOM 985 C PRO A 68 1.541 7.924 5.785 1.00 50.00 C ATOM 986 O PRO A 68 0.604 8.694 5.731 1.00 50.00 O ATOM 987 CB PRO A 68 -0.144 6.083 5.460 1.00 50.00 C ATOM 988 CG PRO A 68 -0.665 5.802 6.834 1.00 50.00 C ATOM 989 CD PRO A 68 0.486 5.261 7.642 1.00 50.00 C ATOM 0 HA PRO A 68 1.954 6.094 4.817 1.00 50.00 H new ATOM 0 HB2 PRO A 68 -0.676 6.915 4.999 1.00 50.00 H new ATOM 0 HB3 PRO A 68 -0.272 5.221 4.806 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -1.062 6.710 7.289 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -1.482 5.081 6.796 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.465 5.634 8.666 1.00 50.00 H new ATOM 0 HD3 PRO A 68 0.457 4.173 7.699 1.00 50.00 H new ATOM 997 N PHE A 69 2.761 8.355 5.947 1.00 50.00 N ATOM 998 CA PHE A 69 3.025 9.817 6.071 1.00 50.00 C ATOM 999 C PHE A 69 3.973 10.271 4.958 1.00 50.00 C ATOM 1000 O PHE A 69 5.076 9.778 4.830 1.00 50.00 O ATOM 1001 CB PHE A 69 3.687 9.992 7.439 1.00 50.00 C ATOM 1002 CG PHE A 69 2.789 9.430 8.517 1.00 50.00 C ATOM 1003 CD1 PHE A 69 1.403 9.385 8.325 1.00 50.00 C ATOM 1004 CD2 PHE A 69 3.345 8.956 9.711 1.00 50.00 C ATOM 1005 CE1 PHE A 69 0.573 8.865 9.326 1.00 50.00 C ATOM 1006 CE2 PHE A 69 2.515 8.437 10.713 1.00 50.00 C ATOM 1007 CZ PHE A 69 1.130 8.391 10.520 1.00 50.00 C ATOM 0 H PHE A 69 3.587 7.759 5.999 1.00 50.00 H new ATOM 0 HA PHE A 69 2.115 10.410 5.984 1.00 50.00 H new ATOM 0 HB2 PHE A 69 4.651 9.484 7.454 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.880 11.048 7.628 1.00 50.00 H new ATOM 0 HD1 PHE A 69 0.974 9.752 7.404 1.00 50.00 H new ATOM 0 HD2 PHE A 69 4.414 8.990 9.860 1.00 50.00 H new ATOM 0 HE1 PHE A 69 -0.496 8.830 9.177 1.00 50.00 H new ATOM 0 HE2 PHE A 69 2.944 8.072 11.635 1.00 50.00 H new ATOM 0 HZ PHE A 69 0.490 7.990 11.292 1.00 50.00 H new ATOM 1017 N VAL A 70 3.554 11.207 4.152 1.00 50.00 N ATOM 1018 CA VAL A 70 4.436 11.686 3.051 1.00 50.00 C ATOM 1019 C VAL A 70 5.468 12.678 3.597 1.00 50.00 C ATOM 1020 O VAL A 70 5.518 13.822 3.192 1.00 50.00 O ATOM 1021 CB VAL A 70 3.498 12.376 2.060 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.319 13.028 0.947 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.550 11.339 1.451 1.00 50.00 C ATOM 0 H VAL A 70 2.642 11.660 4.208 1.00 50.00 H new ATOM 0 HA VAL A 70 4.992 10.873 2.583 1.00 50.00 H new ATOM 0 HB VAL A 70 2.920 13.140 2.580 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.649 13.520 0.241 1.00 50.00 H new ATOM 0 HG12 VAL A 70 4.996 13.765 1.378 1.00 50.00 H new ATOM 0 HG13 VAL A 70 4.898 12.265 0.427 1.00 50.00 H new ATOM 0 HG21 VAL A 70 1.880 11.829 0.744 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.130 10.576 0.932 1.00 50.00 H new ATOM 0 HG23 VAL A 70 1.964 10.873 2.243 1.00 50.00 H new ATOM 1033 N ALA A 71 6.293 12.247 4.512 1.00 50.00 N ATOM 1034 CA ALA A 71 7.322 13.163 5.081 1.00 50.00 C ATOM 1035 C ALA A 71 8.547 13.209 4.167 1.00 50.00 C ATOM 1036 O ALA A 71 9.638 12.844 4.555 1.00 50.00 O ATOM 1037 CB ALA A 71 7.686 12.558 6.437 1.00 50.00 C ATOM 0 H ALA A 71 6.299 11.300 4.890 1.00 50.00 H new ATOM 0 HA ALA A 71 6.958 14.186 5.178 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.441 13.177 6.921 1.00 50.00 H new ATOM 0 HB2 ALA A 71 6.797 12.513 7.066 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.080 11.552 6.293 1.00 50.00 H new ATOM 1043 N THR A 72 8.374 13.652 2.952 1.00 50.00 N ATOM 1044 CA THR A 72 9.529 13.716 2.011 1.00 50.00 C ATOM 1045 C THR A 72 9.432 14.967 1.134 1.00 50.00 C ATOM 1046 O THR A 72 8.394 15.592 1.039 1.00 50.00 O ATOM 1047 CB THR A 72 9.414 12.452 1.158 1.00 50.00 C ATOM 1048 OG1 THR A 72 8.737 11.445 1.897 1.00 50.00 O ATOM 1049 CG2 THR A 72 10.811 11.958 0.781 1.00 50.00 C ATOM 0 H THR A 72 7.484 13.972 2.570 1.00 50.00 H new ATOM 0 HA THR A 72 10.484 13.771 2.534 1.00 50.00 H new ATOM 0 HB THR A 72 8.854 12.676 0.250 1.00 50.00 H new ATOM 0 HG1 THR A 72 8.661 10.634 1.352 1.00 50.00 H new ATOM 0 HG21 THR A 72 10.727 11.057 0.173 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.330 12.731 0.214 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.374 11.733 1.687 1.00 50.00 H new ATOM 1057 N SER A 73 10.504 15.332 0.487 1.00 50.00 N ATOM 1058 CA SER A 73 10.473 16.537 -0.389 1.00 50.00 C ATOM 1059 C SER A 73 10.168 16.124 -1.832 1.00 50.00 C ATOM 1060 O SER A 73 9.906 16.950 -2.683 1.00 50.00 O ATOM 1061 CB SER A 73 11.873 17.139 -0.288 1.00 50.00 C ATOM 1062 OG SER A 73 12.794 16.304 -0.978 1.00 50.00 O ATOM 0 H SER A 73 11.401 14.848 0.527 1.00 50.00 H new ATOM 0 HA SER A 73 9.704 17.249 -0.089 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.882 18.141 -0.716 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.165 17.236 0.758 1.00 50.00 H new ATOM 0 HG SER A 73 13.693 16.688 -0.917 1.00 50.00 H new ATOM 1068 N SER A 74 10.204 14.850 -2.112 1.00 99.99 N ATOM 1069 CA SER A 74 9.918 14.381 -3.498 1.00 99.99 C ATOM 1070 C SER A 74 8.727 13.421 -3.497 1.00 99.99 C ATOM 1071 O SER A 74 8.518 12.676 -4.434 1.00 99.99 O ATOM 1072 CB SER A 74 11.190 13.659 -3.941 1.00 99.99 C ATOM 1073 OG SER A 74 12.266 14.587 -3.979 1.00 99.99 O ATOM 0 H SER A 74 10.419 14.113 -1.441 1.00 99.99 H new ATOM 0 HA SER A 74 9.661 15.202 -4.167 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.420 12.846 -3.252 1.00 99.99 H new ATOM 0 HB3 SER A 74 11.045 13.212 -4.924 1.00 99.99 H new ATOM 0 HG SER A 74 13.084 14.128 -4.261 1.00 99.99 H new ATOM 1079 N ALA A 75 7.939 13.434 -2.456 1.00 99.99 N ATOM 1080 CA ALA A 75 6.760 12.523 -2.406 1.00 99.99 C ATOM 1081 C ALA A 75 5.593 13.131 -3.187 1.00 99.99 C ATOM 1082 O ALA A 75 4.476 12.664 -3.115 1.00 99.99 O ATOM 1083 CB ALA A 75 6.404 12.403 -0.926 1.00 99.99 C ATOM 0 H ALA A 75 8.060 14.034 -1.640 1.00 99.99 H new ATOM 0 HA ALA A 75 6.974 11.551 -2.851 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.542 11.745 -0.811 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.252 11.989 -0.380 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.163 13.389 -0.529 1.00 99.99 H new ATOM 1089 N ASN A 76 5.846 14.168 -3.937 1.00 99.99 N ATOM 1090 CA ASN A 76 4.758 14.798 -4.725 1.00 99.99 C ATOM 1091 C ASN A 76 4.605 14.063 -6.052 1.00 99.99 C ATOM 1092 O ASN A 76 3.981 14.547 -6.975 1.00 99.99 O ATOM 1093 CB ASN A 76 5.214 16.239 -4.958 1.00 99.99 C ATOM 1094 CG ASN A 76 5.645 16.862 -3.628 1.00 99.99 C ATOM 1095 OD1 ASN A 76 5.002 16.669 -2.616 1.00 99.99 O ATOM 1096 ND2 ASN A 76 6.715 17.608 -3.588 1.00 99.99 N ATOM 0 H ASN A 76 6.762 14.605 -4.036 1.00 99.99 H new ATOM 0 HA ASN A 76 3.795 14.761 -4.216 1.00 99.99 H new ATOM 0 HB2 ASN A 76 6.042 16.259 -5.666 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.404 16.821 -5.398 1.00 99.99 H new ATOM 0 HD21 ASN A 76 7.011 18.029 -2.707 1.00 99.99 H new ATOM 0 HD22 ASN A 76 7.255 17.770 -4.438 1.00 99.99 H new ATOM 1103 N SER A 77 5.177 12.895 -6.155 1.00 99.99 N ATOM 1104 CA SER A 77 5.073 12.128 -7.421 1.00 99.99 C ATOM 1105 C SER A 77 4.488 10.748 -7.136 1.00 99.99 C ATOM 1106 O SER A 77 4.050 10.465 -6.036 1.00 99.99 O ATOM 1107 CB SER A 77 6.508 12.008 -7.932 1.00 99.99 C ATOM 1108 OG SER A 77 7.139 10.898 -7.308 1.00 99.99 O ATOM 0 H SER A 77 5.712 12.441 -5.415 1.00 99.99 H new ATOM 0 HA SER A 77 4.425 12.611 -8.152 1.00 99.99 H new ATOM 0 HB2 SER A 77 6.511 11.881 -9.015 1.00 99.99 H new ATOM 0 HB3 SER A 77 7.060 12.923 -7.717 1.00 99.99 H new ATOM 0 HG SER A 77 8.059 10.818 -7.636 1.00 99.99 H new ATOM 1114 N LYS A 78 4.477 9.886 -8.113 1.00 99.99 N ATOM 1115 CA LYS A 78 3.927 8.523 -7.883 1.00 99.99 C ATOM 1116 C LYS A 78 4.776 7.812 -6.831 1.00 99.99 C ATOM 1117 O LYS A 78 5.733 7.132 -7.144 1.00 99.99 O ATOM 1118 CB LYS A 78 4.039 7.814 -9.233 1.00 99.99 C ATOM 1119 CG LYS A 78 5.490 7.858 -9.714 1.00 99.99 C ATOM 1120 CD LYS A 78 5.518 7.985 -11.237 1.00 99.99 C ATOM 1121 CE LYS A 78 6.960 8.174 -11.709 1.00 99.99 C ATOM 1122 NZ LYS A 78 6.845 8.861 -13.025 1.00 99.99 N ATOM 0 H LYS A 78 4.823 10.065 -9.056 1.00 99.99 H new ATOM 0 HA LYS A 78 2.898 8.536 -7.524 1.00 99.99 H new ATOM 0 HB2 LYS A 78 3.706 6.780 -9.141 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.388 8.295 -9.963 1.00 99.99 H new ATOM 0 HG2 LYS A 78 6.010 8.701 -9.258 1.00 99.99 H new ATOM 0 HG3 LYS A 78 6.015 6.954 -9.404 1.00 99.99 H new ATOM 0 HD2 LYS A 78 5.089 7.094 -11.694 1.00 99.99 H new ATOM 0 HD3 LYS A 78 4.907 8.831 -11.553 1.00 99.99 H new ATOM 0 HE2 LYS A 78 7.533 8.772 -11.000 1.00 99.99 H new ATOM 0 HE3 LYS A 78 7.473 7.217 -11.806 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 7.795 9.026 -13.415 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 6.301 8.265 -13.681 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 6.359 9.772 -12.900 1.00 99.99 H new ATOM 1136 N VAL A 79 4.435 7.971 -5.584 1.00 99.99 N ATOM 1137 CA VAL A 79 5.217 7.318 -4.508 1.00 99.99 C ATOM 1138 C VAL A 79 4.865 5.827 -4.447 1.00 99.99 C ATOM 1139 O VAL A 79 3.983 5.365 -5.145 1.00 99.99 O ATOM 1140 CB VAL A 79 4.772 8.030 -3.235 1.00 99.99 C ATOM 1141 CG1 VAL A 79 5.022 9.532 -3.377 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.279 7.780 -3.010 1.00 99.99 C ATOM 0 H VAL A 79 3.643 8.529 -5.265 1.00 99.99 H new ATOM 0 HA VAL A 79 6.294 7.385 -4.660 1.00 99.99 H new ATOM 0 HB VAL A 79 5.338 7.647 -2.386 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.704 10.041 -2.467 1.00 99.99 H new ATOM 0 HG12 VAL A 79 6.085 9.710 -3.540 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.455 9.917 -4.225 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.958 8.288 -2.101 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.714 8.164 -3.859 1.00 99.99 H new ATOM 0 HG23 VAL A 79 3.100 6.709 -2.910 1.00 99.99 H new ATOM 1152 N LEU A 80 5.541 5.068 -3.629 1.00 50.00 N ATOM 1153 CA LEU A 80 5.228 3.611 -3.549 1.00 50.00 C ATOM 1154 C LEU A 80 5.253 3.125 -2.098 1.00 50.00 C ATOM 1155 O LEU A 80 6.256 3.212 -1.419 1.00 50.00 O ATOM 1156 CB LEU A 80 6.328 2.926 -4.361 1.00 50.00 C ATOM 1157 CG LEU A 80 5.767 1.661 -5.012 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.837 1.029 -5.905 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.359 0.665 -3.924 1.00 50.00 C ATOM 0 H LEU A 80 6.291 5.389 -3.017 1.00 50.00 H new ATOM 0 HA LEU A 80 4.232 3.389 -3.932 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.707 3.604 -5.126 1.00 50.00 H new ATOM 0 HB3 LEU A 80 7.168 2.673 -3.715 1.00 50.00 H new ATOM 0 HG LEU A 80 4.896 1.919 -5.615 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.437 0.127 -6.369 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.129 1.737 -6.680 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.708 0.771 -5.302 1.00 50.00 H new ATOM 0 HD21 LEU A 80 4.959 -0.237 -4.388 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.230 0.407 -3.321 1.00 50.00 H new ATOM 0 HD23 LEU A 80 4.597 1.114 -3.287 1.00 50.00 H new ATOM 1171 N VAL A 81 4.152 2.606 -1.621 1.00 50.00 N ATOM 1172 CA VAL A 81 4.105 2.105 -0.219 1.00 50.00 C ATOM 1173 C VAL A 81 3.838 0.596 -0.213 1.00 50.00 C ATOM 1174 O VAL A 81 3.568 0.001 -1.237 1.00 50.00 O ATOM 1175 CB VAL A 81 2.945 2.858 0.430 1.00 50.00 C ATOM 1176 CG1 VAL A 81 3.154 2.909 1.944 1.00 50.00 C ATOM 1177 CG2 VAL A 81 2.885 4.284 -0.125 1.00 50.00 C ATOM 0 H VAL A 81 3.282 2.508 -2.145 1.00 50.00 H new ATOM 0 HA VAL A 81 5.042 2.267 0.314 1.00 50.00 H new ATOM 0 HB VAL A 81 2.010 2.343 0.209 1.00 50.00 H new ATOM 0 HG11 VAL A 81 2.327 3.446 2.408 1.00 50.00 H new ATOM 0 HG12 VAL A 81 3.195 1.894 2.340 1.00 50.00 H new ATOM 0 HG13 VAL A 81 4.089 3.423 2.165 1.00 50.00 H new ATOM 0 HG21 VAL A 81 2.057 4.820 0.339 1.00 50.00 H new ATOM 0 HG22 VAL A 81 3.820 4.800 0.095 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.735 4.248 -1.204 1.00 50.00 H new ATOM 1187 N GLU A 82 3.911 -0.028 0.931 1.00 50.00 N ATOM 1188 CA GLU A 82 3.659 -1.497 0.996 1.00 50.00 C ATOM 1189 C GLU A 82 2.487 -1.795 1.936 1.00 50.00 C ATOM 1190 O GLU A 82 2.188 -1.033 2.834 1.00 50.00 O ATOM 1191 CB GLU A 82 4.955 -2.096 1.546 1.00 50.00 C ATOM 1192 CG GLU A 82 6.125 -1.697 0.645 1.00 50.00 C ATOM 1193 CD GLU A 82 7.444 -2.048 1.336 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.394 -2.534 2.454 1.00 50.00 O ATOM 1195 OE2 GLU A 82 8.481 -1.826 0.735 1.00 50.00 O ATOM 0 H GLU A 82 4.134 0.414 1.823 1.00 50.00 H new ATOM 0 HA GLU A 82 3.397 -1.914 0.024 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.128 -1.743 2.563 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.874 -3.182 1.595 1.00 50.00 H new ATOM 0 HG2 GLU A 82 6.054 -2.215 -0.312 1.00 50.00 H new ATOM 0 HG3 GLU A 82 6.086 -0.629 0.433 1.00 50.00 H new ATOM 1202 N MET A 83 1.822 -2.901 1.734 1.00 50.00 N ATOM 1203 CA MET A 83 0.668 -3.252 2.612 1.00 50.00 C ATOM 1204 C MET A 83 0.591 -4.771 2.795 1.00 50.00 C ATOM 1205 O MET A 83 0.815 -5.528 1.871 1.00 50.00 O ATOM 1206 CB MET A 83 -0.565 -2.739 1.867 1.00 50.00 C ATOM 1207 CG MET A 83 -1.315 -1.738 2.749 1.00 50.00 C ATOM 1208 SD MET A 83 -2.740 -2.553 3.512 1.00 50.00 S ATOM 1209 CE MET A 83 -3.684 -2.830 1.993 1.00 50.00 C ATOM 0 H MET A 83 2.028 -3.577 0.999 1.00 50.00 H new ATOM 0 HA MET A 83 0.754 -2.814 3.607 1.00 50.00 H new ATOM 0 HB2 MET A 83 -0.267 -2.264 0.932 1.00 50.00 H new ATOM 0 HB3 MET A 83 -1.219 -3.572 1.607 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.651 -1.347 3.520 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.646 -0.888 2.152 1.00 50.00 H new ATOM 0 HE1 MET A 83 -4.705 -3.115 2.246 1.00 50.00 H new ATOM 0 HE2 MET A 83 -3.699 -1.914 1.402 1.00 50.00 H new ATOM 0 HE3 MET A 83 -3.217 -3.627 1.415 1.00 50.00 H new ATOM 1219 N GLU A 84 0.279 -5.222 3.980 1.00 50.00 N ATOM 1220 CA GLU A 84 0.191 -6.680 4.223 1.00 50.00 C ATOM 1221 C GLU A 84 -1.252 -7.092 4.529 1.00 50.00 C ATOM 1222 O GLU A 84 -1.544 -7.573 5.606 1.00 50.00 O ATOM 1223 CB GLU A 84 1.089 -6.928 5.435 1.00 50.00 C ATOM 1224 CG GLU A 84 0.894 -5.816 6.468 1.00 50.00 C ATOM 1225 CD GLU A 84 1.040 -6.396 7.877 1.00 50.00 C ATOM 1226 OE1 GLU A 84 0.154 -7.125 8.291 1.00 50.00 O ATOM 1227 OE2 GLU A 84 2.036 -6.103 8.517 1.00 50.00 O ATOM 0 H GLU A 84 0.081 -4.636 4.791 1.00 50.00 H new ATOM 0 HA GLU A 84 0.501 -7.260 3.354 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.854 -7.895 5.880 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.133 -6.967 5.123 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.628 -5.026 6.311 1.00 50.00 H new ATOM 0 HG3 GLU A 84 -0.091 -5.364 6.350 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.110 -6.892 3.565 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.540 -7.253 3.732 1.00 50.00 C ATOM 1236 C PRO A 85 -3.713 -8.774 3.697 1.00 50.00 C ATOM 1237 O PRO A 85 -2.975 -9.467 3.024 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.216 -6.603 2.529 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.137 -6.480 1.500 1.00 50.00 C ATOM 1240 CD PRO A 85 -1.836 -6.318 2.243 1.00 50.00 C ATOM 0 HA PRO A 85 -3.959 -6.920 4.682 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.043 -7.212 2.164 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.629 -5.628 2.787 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.110 -7.364 0.862 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.319 -5.624 0.850 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.022 -6.841 1.741 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.545 -5.270 2.315 1.00 50.00 H new ATOM 1248 N PRO A 86 -4.689 -9.242 4.425 1.00 50.00 N ATOM 1249 CA PRO A 86 -4.971 -10.697 4.483 1.00 50.00 C ATOM 1250 C PRO A 86 -5.579 -11.177 3.160 1.00 50.00 C ATOM 1251 O PRO A 86 -6.215 -10.425 2.450 1.00 50.00 O ATOM 1252 CB PRO A 86 -5.979 -10.821 5.622 1.00 50.00 C ATOM 1253 CG PRO A 86 -6.635 -9.480 5.705 1.00 50.00 C ATOM 1254 CD PRO A 86 -5.616 -8.465 5.256 1.00 50.00 C ATOM 0 HA PRO A 86 -4.078 -11.301 4.643 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -6.708 -11.605 5.420 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -5.486 -11.078 6.559 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.521 -9.444 5.071 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -6.963 -9.273 6.724 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.079 -7.657 4.690 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.106 -8.008 6.104 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.386 -12.424 2.823 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.952 -12.947 1.544 1.00 50.00 C ATOM 1264 C PHE A 87 -7.450 -12.646 1.469 1.00 50.00 C ATOM 1265 O PHE A 87 -8.186 -12.860 2.413 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.713 -14.459 1.580 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.435 -14.753 2.326 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -3.247 -14.117 1.950 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.442 -15.649 3.400 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -2.064 -14.377 2.648 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.258 -15.911 4.098 1.00 50.00 C ATOM 1272 CZ PHE A 87 -2.068 -15.275 3.722 1.00 50.00 C ATOM 0 H PHE A 87 -4.862 -13.102 3.376 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.487 -12.485 0.673 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.552 -14.958 2.065 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.652 -14.852 0.565 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -3.244 -13.425 1.121 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.360 -16.138 3.690 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -1.147 -13.885 2.359 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.262 -16.604 4.927 1.00 50.00 H new ATOM 0 HZ PHE A 87 -1.154 -15.477 4.260 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.909 -12.151 0.352 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.360 -11.838 0.215 1.00 50.00 C ATOM 1284 C GLY A 88 -9.534 -10.356 -0.118 1.00 50.00 C ATOM 1285 O GLY A 88 -8.645 -9.553 0.085 1.00 50.00 O ATOM 0 H GLY A 88 -7.342 -11.950 -0.472 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.803 -12.452 -0.569 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.883 -12.077 1.141 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.678 -9.984 -0.627 1.00 50.00 N ATOM 1290 CA ASP A 89 -10.910 -8.552 -0.971 1.00 50.00 C ATOM 1291 C ASP A 89 -10.604 -7.664 0.238 1.00 50.00 C ATOM 1292 O ASP A 89 -10.666 -8.098 1.371 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.391 -8.469 -1.339 1.00 50.00 C ATOM 1294 CG ASP A 89 -13.219 -9.244 -0.311 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.872 -9.195 0.858 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -14.183 -9.875 -0.711 1.00 50.00 O ATOM 0 H ASP A 89 -11.461 -10.609 -0.819 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.270 -8.212 -1.785 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.711 -7.427 -1.368 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -12.552 -8.880 -2.336 1.00 50.00 H new ATOM 1301 N SER A 90 -10.274 -6.423 0.006 1.00 50.00 N ATOM 1302 CA SER A 90 -9.963 -5.510 1.144 1.00 50.00 C ATOM 1303 C SER A 90 -10.486 -4.100 0.855 1.00 50.00 C ATOM 1304 O SER A 90 -10.363 -3.596 -0.244 1.00 50.00 O ATOM 1305 CB SER A 90 -8.438 -5.505 1.240 1.00 50.00 C ATOM 1306 OG SER A 90 -7.887 -5.262 -0.048 1.00 50.00 O ATOM 0 H SER A 90 -10.206 -6.002 -0.920 1.00 50.00 H new ATOM 0 HA SER A 90 -10.431 -5.836 2.073 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.109 -4.737 1.940 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.083 -6.461 1.626 1.00 50.00 H new ATOM 0 HG SER A 90 -6.909 -5.256 0.010 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.067 -3.461 1.832 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.595 -2.084 1.614 1.00 50.00 C ATOM 1314 C TYR A 91 -10.630 -1.047 2.197 1.00 50.00 C ATOM 1315 O TYR A 91 -10.576 -0.840 3.394 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.930 -2.049 2.358 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.063 -2.227 1.374 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -13.864 -2.969 0.204 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.311 -1.651 1.635 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -14.915 -3.134 -0.706 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.362 -1.815 0.725 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.163 -2.558 -0.446 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.199 -2.721 -1.343 1.00 49.57 O ATOM 0 H TYR A 91 -11.199 -3.832 2.773 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.711 -1.850 0.556 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.960 -2.838 3.109 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -13.039 -1.102 2.886 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -12.901 -3.414 0.003 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.464 -1.080 2.539 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -14.762 -3.706 -1.609 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.325 -1.369 0.925 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.996 -2.258 -1.010 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.871 -0.390 1.362 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.916 0.637 1.871 1.00 50.00 C ATOM 1335 C ILE A 92 -9.493 2.037 1.653 1.00 50.00 C ATOM 1336 O ILE A 92 -10.077 2.324 0.628 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.644 0.446 1.045 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -7.313 -1.044 0.955 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.484 1.184 1.718 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -7.976 -1.637 -0.289 1.00 50.00 C ATOM 0 H ILE A 92 -9.871 -0.520 0.350 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.723 0.531 2.939 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.799 0.846 0.043 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -6.233 -1.186 0.908 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -7.664 -1.560 1.849 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -5.576 1.048 1.130 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -6.718 2.246 1.784 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.330 0.783 2.720 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -7.741 -2.699 -0.355 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -9.056 -1.508 -0.222 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -7.604 -1.127 -1.178 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.340 2.909 2.610 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.890 4.287 2.452 1.00 50.00 C ATOM 1354 C VAL A 93 -8.797 5.336 2.668 1.00 50.00 C ATOM 1355 O VAL A 93 -8.281 5.495 3.756 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.966 4.406 3.530 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.504 5.837 3.561 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -12.109 3.438 3.216 1.00 50.00 C ATOM 0 H VAL A 93 -8.860 2.730 3.492 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.288 4.455 1.451 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.536 4.160 4.501 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.272 5.921 4.330 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -10.690 6.527 3.784 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -11.934 6.085 2.591 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.878 3.521 3.984 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.538 3.684 2.245 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.726 2.418 3.195 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.446 6.062 1.641 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.397 7.109 1.790 1.00 50.00 C ATOM 1370 C VAL A 94 -8.052 8.489 1.883 1.00 50.00 C ATOM 1371 O VAL A 94 -8.302 9.137 0.886 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.543 7.003 0.526 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.642 8.233 0.416 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -5.678 5.743 0.600 1.00 50.00 C ATOM 0 H VAL A 94 -8.841 5.974 0.705 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.800 6.974 2.692 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.192 6.948 -0.348 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -5.033 8.158 -0.485 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -6.257 9.131 0.365 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.993 8.288 1.290 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.069 5.666 -0.301 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.029 5.798 1.474 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.320 4.865 0.680 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.341 8.942 3.071 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.986 10.276 3.220 1.00 50.00 C ATOM 1386 C GLY A 95 -8.683 10.845 4.606 1.00 50.00 C ATOM 1387 O GLY A 95 -8.202 10.153 5.482 1.00 50.00 O ATOM 0 H GLY A 95 -8.159 8.447 3.944 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.620 10.955 2.450 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -10.063 10.187 3.081 1.00 50.00 H new ATOM 1391 N MET A 96 -8.965 12.102 4.813 1.00 50.00 N ATOM 1392 CA MET A 96 -8.697 12.720 6.142 1.00 50.00 C ATOM 1393 C MET A 96 -10.017 12.985 6.875 1.00 50.00 C ATOM 1394 O MET A 96 -10.993 12.286 6.686 1.00 50.00 O ATOM 1395 CB MET A 96 -7.979 14.034 5.830 1.00 50.00 C ATOM 1396 CG MET A 96 -8.861 14.896 4.924 1.00 50.00 C ATOM 1397 SD MET A 96 -8.134 16.546 4.769 1.00 50.00 S ATOM 1398 CE MET A 96 -6.559 16.032 4.043 1.00 50.00 C ATOM 0 H MET A 96 -9.370 12.729 4.118 1.00 50.00 H new ATOM 0 HA MET A 96 -8.100 12.075 6.787 1.00 50.00 H new ATOM 0 HB2 MET A 96 -7.758 14.568 6.754 1.00 50.00 H new ATOM 0 HB3 MET A 96 -7.025 13.833 5.342 1.00 50.00 H new ATOM 0 HG2 MET A 96 -8.953 14.434 3.941 1.00 50.00 H new ATOM 0 HG3 MET A 96 -9.867 14.967 5.338 1.00 50.00 H new ATOM 0 HE1 MET A 96 -5.742 16.326 4.702 1.00 50.00 H new ATOM 0 HE2 MET A 96 -6.553 14.949 3.917 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.432 16.511 3.072 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.054 13.985 7.713 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.310 14.288 8.457 1.00 50.00 C ATOM 1410 C GLY A 97 -12.331 14.924 7.510 1.00 50.00 C ATOM 1411 O GLY A 97 -13.497 14.583 7.521 1.00 50.00 O ATOM 0 H GLY A 97 -9.270 14.605 7.915 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -11.719 13.374 8.887 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -11.099 14.963 9.286 1.00 50.00 H new ATOM 1415 N ASP A 98 -11.905 15.850 6.695 1.00 50.00 N ATOM 1416 CA ASP A 98 -12.855 16.510 5.753 1.00 50.00 C ATOM 1417 C ASP A 98 -13.196 15.566 4.593 1.00 50.00 C ATOM 1418 O ASP A 98 -13.943 14.621 4.753 1.00 50.00 O ATOM 1419 CB ASP A 98 -12.113 17.748 5.249 1.00 50.00 C ATOM 1420 CG ASP A 98 -13.028 18.553 4.324 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -13.855 17.945 3.665 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -12.887 19.764 4.290 1.00 50.00 O ATOM 0 H ASP A 98 -10.941 16.178 6.640 1.00 50.00 H new ATOM 0 HA ASP A 98 -13.800 16.770 6.230 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -11.798 18.364 6.091 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -11.210 17.451 4.716 1.00 50.00 H new ATOM 1427 N LYS A 99 -12.661 15.812 3.427 1.00 50.00 N ATOM 1428 CA LYS A 99 -12.962 14.930 2.267 1.00 50.00 C ATOM 1429 C LYS A 99 -12.120 13.654 2.336 1.00 50.00 C ATOM 1430 O LYS A 99 -10.940 13.691 2.619 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.588 15.754 1.034 1.00 50.00 C ATOM 1432 CG LYS A 99 -12.981 14.988 -0.231 1.00 50.00 C ATOM 1433 CD LYS A 99 -13.487 15.972 -1.288 1.00 50.00 C ATOM 1434 CE LYS A 99 -12.668 15.813 -2.571 1.00 50.00 C ATOM 1435 NZ LYS A 99 -12.982 14.442 -3.059 1.00 50.00 N ATOM 0 H LYS A 99 -12.028 16.587 3.230 1.00 50.00 H new ATOM 0 HA LYS A 99 -14.006 14.618 2.248 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -13.096 16.718 1.060 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -11.517 15.957 1.031 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -12.124 14.435 -0.615 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -13.755 14.256 0.000 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -14.542 15.790 -1.493 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -13.406 16.994 -0.917 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -12.940 16.567 -3.309 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -11.602 15.928 -2.376 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -12.895 14.414 -4.095 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -12.317 13.763 -2.637 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -13.954 14.190 -2.786 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.719 12.522 2.079 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.954 11.245 2.131 1.00 0.00 C ATOM 1451 C GLN A 100 -12.385 10.326 0.981 1.00 0.00 C ATOM 1452 O GLN A 100 -13.506 10.372 0.519 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.290 10.623 3.491 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.791 10.742 3.760 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.546 9.846 2.781 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -14.507 8.637 2.891 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -15.235 10.392 1.822 1.00 0.00 N ATOM 0 H GLN A 100 -13.705 12.428 1.835 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.881 11.401 2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.991 9.575 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.729 11.125 4.279 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.014 10.449 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.112 11.777 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.267 11.407 1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.744 9.805 1.161 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.500 9.500 0.504 1.00 0.00 N ATOM 1467 CA ILE A 101 -11.860 8.589 -0.619 1.00 0.00 C ATOM 1468 C ILE A 101 -11.791 7.131 -0.159 1.00 0.00 C ATOM 1469 O ILE A 101 -10.981 6.771 0.671 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.815 8.864 -1.700 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -11.134 10.196 -2.385 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -10.842 7.739 -2.736 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -9.830 10.910 -2.746 1.00 0.00 C ATOM 0 H ILE A 101 -10.541 9.415 0.842 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.874 8.758 -0.982 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.825 8.914 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -11.727 10.022 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -11.733 10.823 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.097 7.936 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.618 6.790 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.831 7.688 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.057 11.858 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.255 11.097 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.248 10.284 -3.423 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.636 6.289 -0.691 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.615 4.856 -0.279 1.00 0.00 C ATOM 1487 C ASN A 102 -12.598 3.945 -1.510 1.00 0.00 C ATOM 1488 O ASN A 102 -13.398 4.088 -2.413 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.903 4.652 0.520 1.00 0.00 C ATOM 1490 CG ASN A 102 -15.107 5.023 -0.347 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -14.987 5.802 -1.271 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -16.271 4.495 -0.086 1.00 0.00 N ATOM 0 H ASN A 102 -13.338 6.531 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.728 4.612 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.981 3.614 0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.886 5.267 1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -17.080 4.736 -0.658 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.372 3.841 0.690 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.692 3.008 -1.546 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.618 2.082 -2.712 1.00 0.00 C ATOM 1501 C HIS A 103 -11.433 0.643 -2.227 1.00 0.00 C ATOM 1502 O HIS A 103 -11.080 0.401 -1.090 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.397 2.545 -3.507 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.831 3.532 -4.553 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -12.100 4.088 -4.559 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -10.179 4.073 -5.633 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -12.172 4.920 -5.611 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -11.029 4.950 -6.301 1.00 0.00 N ATOM 0 H HIS A 103 -10.998 2.843 -0.817 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.525 2.099 -3.316 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.666 3.002 -2.840 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.909 1.691 -3.977 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -12.844 3.900 -3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.162 3.852 -5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.049 5.496 -5.868 1.00 0.00 H new ATOM 1516 N HIS A 104 -11.671 -0.315 -3.079 1.00 0.00 N ATOM 1517 CA HIS A 104 -11.510 -1.738 -2.661 1.00 0.00 C ATOM 1518 C HIS A 104 -10.745 -2.521 -3.732 1.00 0.00 C ATOM 1519 O HIS A 104 -10.609 -2.083 -4.858 1.00 0.00 O ATOM 1520 CB HIS A 104 -12.935 -2.271 -2.518 1.00 0.00 C ATOM 1521 CG HIS A 104 -13.558 -2.413 -3.879 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -13.719 -3.646 -4.494 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -14.069 -1.488 -4.756 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -14.303 -3.431 -5.687 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -14.538 -2.133 -5.897 1.00 0.00 N ATOM 0 H HIS A 104 -11.969 -0.176 -4.044 1.00 0.00 H new ATOM 0 HA HIS A 104 -10.944 -1.836 -1.734 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -12.924 -3.235 -2.009 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -13.528 -1.593 -1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -14.102 -0.422 -4.586 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -14.552 -4.213 -6.389 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -14.969 -1.706 -6.717 1.00 0.00 H new ATOM 1533 N TRP A 105 -10.248 -3.679 -3.391 1.00 0.00 N ATOM 1534 CA TRP A 105 -9.497 -4.488 -4.384 1.00 0.00 C ATOM 1535 C TRP A 105 -9.773 -5.979 -4.170 1.00 0.00 C ATOM 1536 O TRP A 105 -9.731 -6.476 -3.063 1.00 0.00 O ATOM 1537 CB TRP A 105 -8.023 -4.174 -4.127 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.668 -2.877 -4.781 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -7.312 -1.749 -4.125 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -7.625 -2.556 -6.202 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -7.054 -0.755 -5.051 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -7.233 -1.203 -6.346 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -7.887 -3.297 -7.367 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -7.105 -0.610 -7.601 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -7.759 -2.703 -8.633 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -7.369 -1.361 -8.749 1.00 0.00 C ATOM 0 H TRP A 105 -10.332 -4.098 -2.465 1.00 0.00 H new ATOM 0 HA TRP A 105 -9.789 -4.254 -5.408 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.834 -4.117 -3.055 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -7.396 -4.975 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -7.241 -1.642 -3.053 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -6.767 0.193 -4.808 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -8.189 -4.331 -7.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -6.804 0.424 -7.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.962 -3.282 -9.522 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -7.273 -0.908 -9.725 1.00 0.00 H new ATOM 1557 N HIS A 106 -10.054 -6.696 -5.223 1.00 0.00 N ATOM 1558 CA HIS A 106 -10.331 -8.153 -5.080 1.00 0.00 C ATOM 1559 C HIS A 106 -9.321 -8.964 -5.897 1.00 0.00 C ATOM 1560 O HIS A 106 -9.048 -8.659 -7.041 1.00 0.00 O ATOM 1561 CB HIS A 106 -11.744 -8.346 -5.629 1.00 0.00 C ATOM 1562 CG HIS A 106 -12.066 -9.813 -5.680 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -12.620 -10.486 -4.602 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -11.917 -10.751 -6.671 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -12.782 -11.771 -4.967 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -12.369 -11.987 -6.219 1.00 0.00 N ATOM 0 H HIS A 106 -10.104 -6.336 -6.176 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.248 -8.490 -4.047 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.465 -7.826 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.821 -7.911 -6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.510 -10.559 -7.653 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -13.196 -12.535 -4.326 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.382 -12.868 -6.733 1.00 0.00 H new ATOM 1574 N LYS A 107 -8.762 -9.991 -5.319 1.00 0.00 N ATOM 1575 CA LYS A 107 -7.768 -10.817 -6.064 1.00 0.00 C ATOM 1576 C LYS A 107 -8.345 -12.201 -6.366 1.00 0.00 C ATOM 1577 O LYS A 107 -7.847 -12.922 -7.207 1.00 0.00 O ATOM 1578 CB LYS A 107 -6.566 -10.930 -5.126 1.00 0.00 C ATOM 1579 CG LYS A 107 -6.973 -11.698 -3.867 1.00 0.00 C ATOM 1580 CD LYS A 107 -5.736 -12.348 -3.244 1.00 0.00 C ATOM 1581 CE LYS A 107 -5.503 -13.721 -3.879 1.00 0.00 C ATOM 1582 NZ LYS A 107 -4.063 -13.731 -4.257 1.00 0.00 N ATOM 0 H LYS A 107 -8.950 -10.295 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.499 -10.372 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.746 -11.443 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.205 -9.937 -4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.441 -11.022 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.711 -12.460 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -4.863 -11.713 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -5.871 -12.452 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.733 -14.524 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.141 -13.866 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.827 -14.642 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.875 -12.960 -4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.480 -13.598 -3.406 1.00 0.00 H new ATOM 1596 N ALA A 108 -9.390 -12.576 -5.685 1.00 0.00 N ATOM 1597 CA ALA A 108 -9.997 -13.916 -5.933 1.00 0.00 C ATOM 1598 C ALA A 108 -11.203 -14.130 -5.013 1.00 0.00 C ATOM 1599 O ALA A 108 -11.278 -13.579 -3.933 1.00 0.00 O ATOM 1600 CB ALA A 108 -8.888 -14.917 -5.607 1.00 0.00 C ATOM 0 H ALA A 108 -9.851 -12.015 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.357 -14.024 -6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.255 -15.931 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.032 -14.736 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.585 -14.798 -4.567 1.00 0.00 H new ATOM 1606 N GLY A 109 -12.146 -14.928 -5.432 1.00 0.00 N ATOM 1607 CA GLY A 109 -13.344 -15.179 -4.582 1.00 0.00 C ATOM 1608 C GLY A 109 -14.025 -16.474 -5.029 1.00 0.00 C ATOM 1609 O GLY A 109 -15.229 -16.535 -5.178 1.00 0.00 O ATOM 0 H GLY A 109 -12.139 -15.417 -6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -13.051 -15.253 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.040 -14.344 -4.660 1.00 0.00 H new ATOM 1613 N SER A 110 -13.263 -17.511 -5.248 1.00 0.00 N ATOM 1614 CA SER A 110 -13.866 -18.802 -5.686 1.00 0.00 C ATOM 1615 C SER A 110 -14.213 -19.662 -4.468 1.00 0.00 C ATOM 1616 O SER A 110 -13.873 -19.336 -3.349 1.00 0.00 O ATOM 1617 CB SER A 110 -12.787 -19.477 -6.530 1.00 0.00 C ATOM 1618 OG SER A 110 -11.506 -19.121 -6.026 1.00 0.00 O ATOM 0 H SER A 110 -12.249 -17.520 -5.142 1.00 0.00 H new ATOM 0 HA SER A 110 -14.790 -18.658 -6.247 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.913 -20.559 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.879 -19.170 -7.572 1.00 0.00 H new ATOM 0 HG SER A 110 -10.811 -19.554 -6.564 1.00 0.00 H new ATOM 1624 N THR A 111 -14.888 -20.759 -4.678 1.00 0.00 N ATOM 1625 CA THR A 111 -15.255 -21.638 -3.531 1.00 0.00 C ATOM 1626 C THR A 111 -14.592 -23.009 -3.679 1.00 0.00 C ATOM 1627 O THR A 111 -14.459 -23.693 -2.678 1.00 49.57 O ATOM 1628 CB THR A 111 -16.777 -21.769 -3.603 1.00 0.00 C ATOM 1629 OG1 THR A 111 -17.199 -22.839 -2.769 1.00 0.00 O ATOM 1630 CG2 THR A 111 -17.199 -22.049 -5.046 1.00 0.00 C ATOM 1631 OXT THR A 111 -14.227 -23.351 -4.792 1.00 49.57 O ATOM 0 H THR A 111 -15.201 -21.084 -5.593 1.00 0.00 H new ATOM 0 HA THR A 111 -14.925 -21.228 -2.576 1.00 0.00 H new ATOM 0 HB THR A 111 -17.238 -20.841 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 111 -18.174 -22.923 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 111 -18.284 -22.142 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 111 -16.875 -21.228 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 111 -16.739 -22.977 -5.386 1.00 0.00 H new TER 1639 THR A 111