USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0647 (180deg=-0.123) USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= 0.507 (180deg=-0.874) USER MOD Single : A 9 LYS NZ :NH3+ -128:sc= 0.697 (180deg=-0.27) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.526 USER MOD Single : A 15 MET CE :methyl -115:sc= -0.731 (180deg=-2.29!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0102 F(o=-0.78,f=-0.01) USER MOD Single : A 43 MET CE :methyl 171:sc= -2.26 (180deg=-2.52) USER MOD Single : A 44 ASN : amide:sc=-0.00443 K(o=-0.0044,f=-12!) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0792) USER MOD Single : A 49 MET CE :methyl -143:sc= -1.33 (180deg=-4.12!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -108:sc= -2.61! (180deg=-4.63!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 62 SER OG : rot 180:sc=0.000965 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -2.57 K(o=-2.6,f=-3.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0.642 (180deg=0.635) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.192 F(o=-1.3,f=-0.19) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 67:sc= 1.13 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 84 LYS NZ :NH3+ 148:sc= -0.681 (180deg=-2.18!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.205 17.374 -4.115 1.00 63.01 N ATOM 2 CA MET A 1 4.195 16.494 -4.715 1.00 1.34 C ATOM 3 C MET A 1 3.097 16.190 -3.689 1.00 54.43 C ATOM 4 O MET A 1 3.330 16.289 -2.480 1.00 41.41 O ATOM 5 CB MET A 1 4.875 15.207 -5.257 1.00 71.15 C ATOM 6 CG MET A 1 5.640 14.340 -4.227 1.00 71.23 C ATOM 7 SD MET A 1 4.553 13.390 -3.139 1.00 32.41 S ATOM 8 CE MET A 1 5.731 12.376 -2.237 1.00 63.34 C ATOM 0 H1 MET A 1 6.155 17.015 -4.338 1.00 63.01 H new ATOM 0 H2 MET A 1 5.100 18.335 -4.498 1.00 63.01 H new ATOM 0 H3 MET A 1 5.077 17.397 -3.083 1.00 63.01 H new ATOM 0 HA MET A 1 3.719 16.990 -5.561 1.00 1.34 H new ATOM 0 HB2 MET A 1 4.109 14.587 -5.722 1.00 71.15 H new ATOM 0 HB3 MET A 1 5.572 15.496 -6.044 1.00 71.15 H new ATOM 0 HG2 MET A 1 6.299 13.654 -4.759 1.00 71.23 H new ATOM 0 HG3 MET A 1 6.275 14.986 -3.620 1.00 71.23 H new ATOM 0 HE1 MET A 1 5.198 11.740 -1.530 1.00 63.34 H new ATOM 0 HE2 MET A 1 6.287 11.753 -2.938 1.00 63.34 H new ATOM 0 HE3 MET A 1 6.424 13.019 -1.695 1.00 63.34 H new ATOM 20 N ASP A 2 1.903 15.831 -4.184 1.00 63.23 N ATOM 21 CA ASP A 2 0.715 15.565 -3.329 1.00 4.31 C ATOM 22 C ASP A 2 0.601 14.077 -2.976 1.00 42.44 C ATOM 23 O ASP A 2 1.416 13.258 -3.418 1.00 14.51 O ATOM 24 CB ASP A 2 -0.587 16.047 -4.029 1.00 13.12 C ATOM 25 CG ASP A 2 -0.636 17.569 -4.197 1.00 21.02 C ATOM 26 OD1 ASP A 2 -0.764 18.272 -3.177 1.00 31.02 O ATOM 27 OD2 ASP A 2 -0.523 18.069 -5.334 1.00 51.13 O ATOM 0 H ASP A 2 1.724 15.715 -5.182 1.00 63.23 H new ATOM 0 HA ASP A 2 0.847 16.126 -2.404 1.00 4.31 H new ATOM 0 HB2 ASP A 2 -0.665 15.574 -5.008 1.00 13.12 H new ATOM 0 HB3 ASP A 2 -1.450 15.721 -3.448 1.00 13.12 H new ATOM 32 N GLY A 3 -0.439 13.743 -2.186 1.00 30.44 N ATOM 33 CA GLY A 3 -0.736 12.364 -1.804 1.00 23.04 C ATOM 34 C GLY A 3 -1.066 11.499 -3.010 1.00 71.52 C ATOM 35 O GLY A 3 -0.656 10.343 -3.067 1.00 54.35 O ATOM 0 H GLY A 3 -1.090 14.426 -1.800 1.00 30.44 H new ATOM 0 HA2 GLY A 3 0.120 11.941 -1.277 1.00 23.04 H new ATOM 0 HA3 GLY A 3 -1.575 12.353 -1.109 1.00 23.04 H new ATOM 39 N GLU A 4 -1.778 12.095 -3.986 1.00 62.23 N ATOM 40 CA GLU A 4 -2.137 11.436 -5.263 1.00 70.24 C ATOM 41 C GLU A 4 -0.911 10.842 -5.974 1.00 30.33 C ATOM 42 O GLU A 4 -0.984 9.742 -6.533 1.00 62.41 O ATOM 43 CB GLU A 4 -2.854 12.433 -6.189 1.00 22.44 C ATOM 44 CG GLU A 4 -4.183 12.959 -5.631 1.00 12.11 C ATOM 45 CD GLU A 4 -5.248 11.873 -5.448 1.00 51.10 C ATOM 46 OE1 GLU A 4 -5.910 11.501 -6.440 1.00 3.43 O ATOM 47 OE2 GLU A 4 -5.415 11.359 -4.321 1.00 20.20 O ATOM 0 H GLU A 4 -2.123 13.052 -3.913 1.00 62.23 H new ATOM 0 HA GLU A 4 -2.808 10.610 -5.026 1.00 70.24 H new ATOM 0 HB2 GLU A 4 -2.192 13.278 -6.379 1.00 22.44 H new ATOM 0 HB3 GLU A 4 -3.040 11.952 -7.149 1.00 22.44 H new ATOM 0 HG2 GLU A 4 -3.998 13.440 -4.670 1.00 12.11 H new ATOM 0 HG3 GLU A 4 -4.570 13.726 -6.302 1.00 12.11 H new ATOM 54 N GLU A 5 0.205 11.586 -5.926 1.00 72.53 N ATOM 55 CA GLU A 5 1.486 11.180 -6.531 1.00 22.54 C ATOM 56 C GLU A 5 1.991 9.882 -5.901 1.00 71.20 C ATOM 57 O GLU A 5 2.210 8.884 -6.605 1.00 41.02 O ATOM 58 CB GLU A 5 2.527 12.319 -6.360 1.00 33.51 C ATOM 59 CG GLU A 5 3.998 11.956 -6.679 1.00 23.02 C ATOM 60 CD GLU A 5 4.226 11.431 -8.097 1.00 70.23 C ATOM 61 OE1 GLU A 5 4.209 12.232 -9.044 1.00 4.33 O ATOM 62 OE2 GLU A 5 4.424 10.217 -8.267 1.00 10.44 O ATOM 0 H GLU A 5 0.245 12.494 -5.463 1.00 72.53 H new ATOM 0 HA GLU A 5 1.336 10.997 -7.595 1.00 22.54 H new ATOM 0 HB2 GLU A 5 2.233 13.151 -7.001 1.00 33.51 H new ATOM 0 HB3 GLU A 5 2.478 12.676 -5.331 1.00 33.51 H new ATOM 0 HG2 GLU A 5 4.618 12.839 -6.528 1.00 23.02 H new ATOM 0 HG3 GLU A 5 4.336 11.203 -5.967 1.00 23.02 H new ATOM 69 N VAL A 6 2.129 9.897 -4.567 1.00 3.31 N ATOM 70 CA VAL A 6 2.780 8.809 -3.841 1.00 14.21 C ATOM 71 C VAL A 6 1.958 7.517 -3.923 1.00 42.42 C ATOM 72 O VAL A 6 2.542 6.441 -3.929 1.00 25.44 O ATOM 73 CB VAL A 6 3.120 9.180 -2.350 1.00 22.13 C ATOM 74 CG1 VAL A 6 1.865 9.399 -1.470 1.00 33.31 C ATOM 75 CG2 VAL A 6 4.053 8.121 -1.727 1.00 63.54 C ATOM 0 H VAL A 6 1.796 10.655 -3.972 1.00 3.31 H new ATOM 0 HA VAL A 6 3.735 8.637 -4.337 1.00 14.21 H new ATOM 0 HB VAL A 6 3.638 10.139 -2.380 1.00 22.13 H new ATOM 0 HG11 VAL A 6 2.172 9.652 -0.455 1.00 33.31 H new ATOM 0 HG12 VAL A 6 1.269 10.213 -1.882 1.00 33.31 H new ATOM 0 HG13 VAL A 6 1.269 8.486 -1.452 1.00 33.31 H new ATOM 0 HG21 VAL A 6 4.277 8.395 -0.696 1.00 63.54 H new ATOM 0 HG22 VAL A 6 3.562 7.148 -1.746 1.00 63.54 H new ATOM 0 HG23 VAL A 6 4.980 8.071 -2.299 1.00 63.54 H new ATOM 85 N LYS A 7 0.610 7.655 -4.045 1.00 4.42 N ATOM 86 CA LYS A 7 -0.319 6.512 -4.213 1.00 11.13 C ATOM 87 C LYS A 7 0.170 5.565 -5.323 1.00 5.24 C ATOM 88 O LYS A 7 0.310 4.349 -5.116 1.00 63.31 O ATOM 89 CB LYS A 7 -1.741 6.988 -4.600 1.00 11.54 C ATOM 90 CG LYS A 7 -2.465 7.887 -3.589 1.00 14.41 C ATOM 91 CD LYS A 7 -3.928 8.190 -4.011 1.00 13.43 C ATOM 92 CE LYS A 7 -4.107 8.362 -5.536 1.00 22.31 C ATOM 93 NZ LYS A 7 -5.492 8.725 -5.908 1.00 2.12 N ATOM 0 H LYS A 7 0.141 8.561 -4.029 1.00 4.42 H new ATOM 0 HA LYS A 7 -0.348 5.995 -3.254 1.00 11.13 H new ATOM 0 HB2 LYS A 7 -1.674 7.525 -5.546 1.00 11.54 H new ATOM 0 HB3 LYS A 7 -2.359 6.107 -4.776 1.00 11.54 H new ATOM 0 HG2 LYS A 7 -2.464 7.405 -2.611 1.00 14.41 H new ATOM 0 HG3 LYS A 7 -1.918 8.824 -3.483 1.00 14.41 H new ATOM 0 HD2 LYS A 7 -4.572 7.381 -3.667 1.00 13.43 H new ATOM 0 HD3 LYS A 7 -4.262 9.098 -3.509 1.00 13.43 H new ATOM 0 HE2 LYS A 7 -3.425 9.133 -5.894 1.00 22.31 H new ATOM 0 HE3 LYS A 7 -3.831 7.434 -6.038 1.00 22.31 H new ATOM 0 HZ1 LYS A 7 -5.908 7.964 -6.482 1.00 2.12 H new ATOM 0 HZ2 LYS A 7 -6.059 8.859 -5.047 1.00 2.12 H new ATOM 0 HZ3 LYS A 7 -5.484 9.608 -6.457 1.00 2.12 H new ATOM 107 N GLU A 8 0.422 6.163 -6.497 1.00 34.34 N ATOM 108 CA GLU A 8 0.874 5.466 -7.677 1.00 43.55 C ATOM 109 C GLU A 8 2.221 4.776 -7.416 1.00 63.35 C ATOM 110 O GLU A 8 2.425 3.640 -7.842 1.00 1.22 O ATOM 111 CB GLU A 8 0.965 6.456 -8.868 1.00 31.23 C ATOM 112 CG GLU A 8 1.420 5.771 -10.144 1.00 11.13 C ATOM 113 CD GLU A 8 1.491 6.659 -11.393 1.00 42.40 C ATOM 114 OE1 GLU A 8 2.309 7.591 -11.426 1.00 25.24 O ATOM 115 OE2 GLU A 8 0.757 6.387 -12.371 1.00 65.43 O ATOM 0 H GLU A 8 0.310 7.167 -6.640 1.00 34.34 H new ATOM 0 HA GLU A 8 0.154 4.689 -7.932 1.00 43.55 H new ATOM 0 HB2 GLU A 8 -0.009 6.917 -9.032 1.00 31.23 H new ATOM 0 HB3 GLU A 8 1.660 7.259 -8.620 1.00 31.23 H new ATOM 0 HG2 GLU A 8 2.407 5.341 -9.971 1.00 11.13 H new ATOM 0 HG3 GLU A 8 0.743 4.942 -10.349 1.00 11.13 H new ATOM 122 N LYS A 9 3.114 5.450 -6.671 1.00 41.01 N ATOM 123 CA LYS A 9 4.446 4.906 -6.347 1.00 15.11 C ATOM 124 C LYS A 9 4.352 3.698 -5.409 1.00 51.21 C ATOM 125 O LYS A 9 5.164 2.790 -5.513 1.00 54.31 O ATOM 126 CB LYS A 9 5.357 5.983 -5.725 1.00 35.10 C ATOM 127 CG LYS A 9 5.534 7.251 -6.584 1.00 20.15 C ATOM 128 CD LYS A 9 6.720 8.115 -6.118 1.00 11.03 C ATOM 129 CE LYS A 9 6.637 8.529 -4.640 1.00 41.15 C ATOM 130 NZ LYS A 9 7.864 9.234 -4.205 1.00 31.12 N ATOM 0 H LYS A 9 2.937 6.376 -6.280 1.00 41.01 H new ATOM 0 HA LYS A 9 4.887 4.576 -7.287 1.00 15.11 H new ATOM 0 HB2 LYS A 9 4.948 6.271 -4.757 1.00 35.10 H new ATOM 0 HB3 LYS A 9 6.338 5.546 -5.539 1.00 35.10 H new ATOM 0 HG2 LYS A 9 5.684 6.963 -7.625 1.00 20.15 H new ATOM 0 HG3 LYS A 9 4.620 7.843 -6.546 1.00 20.15 H new ATOM 0 HD2 LYS A 9 7.646 7.564 -6.281 1.00 11.03 H new ATOM 0 HD3 LYS A 9 6.770 9.012 -6.736 1.00 11.03 H new ATOM 0 HE2 LYS A 9 5.772 9.175 -4.490 1.00 41.15 H new ATOM 0 HE3 LYS A 9 6.485 7.645 -4.021 1.00 41.15 H new ATOM 0 HZ1 LYS A 9 8.234 8.786 -3.343 1.00 31.12 H new ATOM 0 HZ2 LYS A 9 8.580 9.181 -4.957 1.00 31.12 H new ATOM 0 HZ3 LYS A 9 7.641 10.231 -4.009 1.00 31.12 H new ATOM 144 N ILE A 10 3.341 3.697 -4.510 1.00 72.03 N ATOM 145 CA ILE A 10 3.092 2.571 -3.586 1.00 12.45 C ATOM 146 C ILE A 10 2.737 1.307 -4.392 1.00 24.31 C ATOM 147 O ILE A 10 3.131 0.206 -4.032 1.00 43.40 O ATOM 148 CB ILE A 10 1.930 2.895 -2.565 1.00 55.53 C ATOM 149 CG1 ILE A 10 2.191 4.220 -1.780 1.00 3.22 C ATOM 150 CG2 ILE A 10 1.690 1.734 -1.577 1.00 73.41 C ATOM 151 CD1 ILE A 10 3.500 4.271 -1.006 1.00 32.04 C ATOM 0 H ILE A 10 2.682 4.469 -4.406 1.00 72.03 H new ATOM 0 HA ILE A 10 4.003 2.404 -3.012 1.00 12.45 H new ATOM 0 HB ILE A 10 1.029 3.027 -3.164 1.00 55.53 H new ATOM 0 HG12 ILE A 10 2.173 5.050 -2.486 1.00 3.22 H new ATOM 0 HG13 ILE A 10 1.369 4.377 -1.082 1.00 3.22 H new ATOM 0 HG21 ILE A 10 0.883 1.999 -0.893 1.00 73.41 H new ATOM 0 HG22 ILE A 10 1.416 0.836 -2.131 1.00 73.41 H new ATOM 0 HG23 ILE A 10 2.601 1.546 -1.008 1.00 73.41 H new ATOM 0 HD11 ILE A 10 3.585 5.231 -0.497 1.00 32.04 H new ATOM 0 HD12 ILE A 10 3.519 3.467 -0.270 1.00 32.04 H new ATOM 0 HD13 ILE A 10 4.335 4.151 -1.696 1.00 32.04 H new ATOM 163 N ARG A 11 2.010 1.506 -5.503 1.00 10.31 N ATOM 164 CA ARG A 11 1.557 0.413 -6.386 1.00 3.12 C ATOM 165 C ARG A 11 2.673 -0.075 -7.306 1.00 52.33 C ATOM 166 O ARG A 11 2.944 -1.279 -7.373 1.00 42.14 O ATOM 167 CB ARG A 11 0.354 0.880 -7.219 1.00 73.15 C ATOM 168 CG ARG A 11 -0.888 1.292 -6.407 1.00 11.11 C ATOM 169 CD ARG A 11 -1.525 0.141 -5.592 1.00 73.41 C ATOM 170 NE ARG A 11 -0.743 -0.223 -4.386 1.00 41.44 N ATOM 171 CZ ARG A 11 -1.230 -0.337 -3.154 1.00 51.24 C ATOM 172 NH1 ARG A 11 -2.518 -0.123 -2.902 1.00 21.35 N ATOM 173 NH2 ARG A 11 -0.414 -0.685 -2.173 1.00 43.42 N ATOM 0 H ARG A 11 1.718 2.431 -5.817 1.00 10.31 H new ATOM 0 HA ARG A 11 1.263 -0.425 -5.754 1.00 3.12 H new ATOM 0 HB2 ARG A 11 0.664 1.726 -7.832 1.00 73.15 H new ATOM 0 HB3 ARG A 11 0.072 0.078 -7.901 1.00 73.15 H new ATOM 0 HG2 ARG A 11 -0.612 2.096 -5.724 1.00 11.11 H new ATOM 0 HG3 ARG A 11 -1.636 1.696 -7.089 1.00 11.11 H new ATOM 0 HD2 ARG A 11 -2.531 0.432 -5.291 1.00 73.41 H new ATOM 0 HD3 ARG A 11 -1.625 -0.736 -6.231 1.00 73.41 H new ATOM 0 HE ARG A 11 0.253 -0.401 -4.512 1.00 41.44 H new ATOM 0 HH11 ARG A 11 -3.150 0.133 -3.660 1.00 21.35 H new ATOM 0 HH12 ARG A 11 -2.874 -0.215 -1.950 1.00 21.35 H new ATOM 0 HH21 ARG A 11 0.572 -0.861 -2.368 1.00 43.42 H new ATOM 0 HH22 ARG A 11 -0.770 -0.777 -1.222 1.00 43.42 H new ATOM 187 N ARG A 12 3.297 0.880 -8.001 1.00 44.14 N ATOM 188 CA ARG A 12 4.378 0.623 -8.972 1.00 13.04 C ATOM 189 C ARG A 12 5.552 -0.090 -8.293 1.00 51.44 C ATOM 190 O ARG A 12 6.146 -0.983 -8.874 1.00 22.13 O ATOM 191 CB ARG A 12 4.845 1.963 -9.622 1.00 73.44 C ATOM 192 CG ARG A 12 4.105 2.382 -10.925 1.00 13.23 C ATOM 193 CD ARG A 12 2.576 2.357 -10.791 1.00 33.50 C ATOM 194 NE ARG A 12 1.895 3.055 -11.899 1.00 4.45 N ATOM 195 CZ ARG A 12 0.720 2.709 -12.429 1.00 35.54 C ATOM 196 NH1 ARG A 12 0.069 1.650 -11.992 1.00 23.41 N ATOM 197 NH2 ARG A 12 0.163 3.482 -13.346 1.00 32.51 N ATOM 0 H ARG A 12 3.066 1.869 -7.908 1.00 44.14 H new ATOM 0 HA ARG A 12 3.996 -0.028 -9.758 1.00 13.04 H new ATOM 0 HB2 ARG A 12 4.727 2.760 -8.888 1.00 73.44 H new ATOM 0 HB3 ARG A 12 5.910 1.886 -9.841 1.00 73.44 H new ATOM 0 HG2 ARG A 12 4.421 3.386 -11.207 1.00 13.23 H new ATOM 0 HG3 ARG A 12 4.403 1.715 -11.734 1.00 13.23 H new ATOM 0 HD2 ARG A 12 2.236 1.322 -10.755 1.00 33.50 H new ATOM 0 HD3 ARG A 12 2.291 2.819 -9.846 1.00 33.50 H new ATOM 0 HE ARG A 12 2.362 3.871 -12.293 1.00 4.45 H new ATOM 0 HH11 ARG A 12 0.462 1.084 -11.240 1.00 23.41 H new ATOM 0 HH12 ARG A 12 -0.828 1.396 -12.406 1.00 23.41 H new ATOM 0 HH21 ARG A 12 0.631 4.338 -13.645 1.00 32.51 H new ATOM 0 HH22 ARG A 12 -0.735 3.223 -13.755 1.00 32.51 H new ATOM 211 N TYR A 13 5.843 0.323 -7.051 1.00 70.33 N ATOM 212 CA TYR A 13 6.880 -0.295 -6.204 1.00 62.45 C ATOM 213 C TYR A 13 6.629 -1.809 -6.035 1.00 71.25 C ATOM 214 O TYR A 13 7.559 -2.610 -6.178 1.00 65.20 O ATOM 215 CB TYR A 13 6.941 0.432 -4.831 1.00 4.31 C ATOM 216 CG TYR A 13 7.894 -0.203 -3.810 1.00 71.44 C ATOM 217 CD1 TYR A 13 9.278 -0.240 -4.038 1.00 44.32 C ATOM 218 CD2 TYR A 13 7.421 -0.756 -2.618 1.00 51.11 C ATOM 219 CE1 TYR A 13 10.140 -0.797 -3.119 1.00 1.42 C ATOM 220 CE2 TYR A 13 8.283 -1.315 -1.698 1.00 5.11 C ATOM 221 CZ TYR A 13 9.642 -1.333 -1.952 1.00 2.22 C ATOM 222 OH TYR A 13 10.504 -1.888 -1.032 1.00 4.32 O ATOM 0 H TYR A 13 5.363 1.102 -6.600 1.00 70.33 H new ATOM 0 HA TYR A 13 7.848 -0.185 -6.694 1.00 62.45 H new ATOM 0 HB2 TYR A 13 7.244 1.466 -4.996 1.00 4.31 H new ATOM 0 HB3 TYR A 13 5.938 0.458 -4.404 1.00 4.31 H new ATOM 0 HD1 TYR A 13 9.675 0.176 -4.952 1.00 44.32 H new ATOM 0 HD2 TYR A 13 6.361 -0.746 -2.413 1.00 51.11 H new ATOM 0 HE1 TYR A 13 11.202 -0.813 -3.313 1.00 1.42 H new ATOM 0 HE2 TYR A 13 7.898 -1.737 -0.782 1.00 5.11 H new ATOM 0 HH TYR A 13 10.316 -1.519 -0.144 1.00 4.32 H new ATOM 232 N ILE A 14 5.361 -2.181 -5.772 1.00 64.14 N ATOM 233 CA ILE A 14 4.949 -3.587 -5.603 1.00 31.15 C ATOM 234 C ILE A 14 5.211 -4.369 -6.894 1.00 44.44 C ATOM 235 O ILE A 14 5.859 -5.401 -6.871 1.00 42.13 O ATOM 236 CB ILE A 14 3.432 -3.717 -5.201 1.00 4.30 C ATOM 237 CG1 ILE A 14 3.129 -2.894 -3.919 1.00 43.53 C ATOM 238 CG2 ILE A 14 3.023 -5.203 -5.003 1.00 74.41 C ATOM 239 CD1 ILE A 14 1.659 -2.797 -3.558 1.00 4.20 C ATOM 0 H ILE A 14 4.595 -1.515 -5.671 1.00 64.14 H new ATOM 0 HA ILE A 14 5.543 -4.004 -4.790 1.00 31.15 H new ATOM 0 HB ILE A 14 2.838 -3.313 -6.021 1.00 4.30 H new ATOM 0 HG12 ILE A 14 3.665 -3.341 -3.082 1.00 43.53 H new ATOM 0 HG13 ILE A 14 3.524 -1.886 -4.049 1.00 43.53 H new ATOM 0 HG21 ILE A 14 1.970 -5.257 -4.726 1.00 74.41 H new ATOM 0 HG22 ILE A 14 3.183 -5.751 -5.932 1.00 74.41 H new ATOM 0 HG23 ILE A 14 3.629 -5.645 -4.212 1.00 74.41 H new ATOM 0 HD11 ILE A 14 1.546 -2.204 -2.650 1.00 4.20 H new ATOM 0 HD12 ILE A 14 1.115 -2.320 -4.373 1.00 4.20 H new ATOM 0 HD13 ILE A 14 1.259 -3.797 -3.391 1.00 4.20 H new ATOM 251 N MET A 15 4.746 -3.833 -8.021 1.00 72.11 N ATOM 252 CA MET A 15 4.804 -4.535 -9.314 1.00 21.21 C ATOM 253 C MET A 15 6.263 -4.664 -9.816 1.00 14.15 C ATOM 254 O MET A 15 6.744 -5.766 -10.063 1.00 63.23 O ATOM 255 CB MET A 15 3.902 -3.819 -10.353 1.00 64.40 C ATOM 256 CG MET A 15 2.489 -3.484 -9.840 1.00 74.30 C ATOM 257 SD MET A 15 1.644 -4.888 -9.071 1.00 12.50 S ATOM 258 CE MET A 15 1.454 -6.001 -10.454 1.00 72.32 C ATOM 0 H MET A 15 4.320 -2.907 -8.070 1.00 72.11 H new ATOM 0 HA MET A 15 4.424 -5.547 -9.177 1.00 21.21 H new ATOM 0 HB2 MET A 15 4.390 -2.896 -10.667 1.00 64.40 H new ATOM 0 HB3 MET A 15 3.815 -4.450 -11.237 1.00 64.40 H new ATOM 0 HG2 MET A 15 2.558 -2.672 -9.117 1.00 74.30 H new ATOM 0 HG3 MET A 15 1.887 -3.120 -10.672 1.00 74.30 H new ATOM 0 HE1 MET A 15 0.394 -6.128 -10.676 1.00 72.32 H new ATOM 0 HE2 MET A 15 1.960 -5.587 -11.326 1.00 72.32 H new ATOM 0 HE3 MET A 15 1.891 -6.968 -10.206 1.00 72.32 H new ATOM 268 N GLU A 16 6.963 -3.534 -9.919 1.00 44.44 N ATOM 269 CA GLU A 16 8.306 -3.462 -10.531 1.00 74.42 C ATOM 270 C GLU A 16 9.363 -4.173 -9.677 1.00 31.24 C ATOM 271 O GLU A 16 10.303 -4.743 -10.218 1.00 60.44 O ATOM 272 CB GLU A 16 8.714 -1.986 -10.746 1.00 44.51 C ATOM 273 CG GLU A 16 7.745 -1.180 -11.624 1.00 41.33 C ATOM 274 CD GLU A 16 8.117 0.307 -11.680 1.00 40.45 C ATOM 275 OE1 GLU A 16 7.949 1.007 -10.662 1.00 63.11 O ATOM 276 OE2 GLU A 16 8.596 0.777 -12.730 1.00 41.32 O ATOM 0 H GLU A 16 6.620 -2.635 -9.581 1.00 44.44 H new ATOM 0 HA GLU A 16 8.255 -3.973 -11.492 1.00 74.42 H new ATOM 0 HB2 GLU A 16 8.795 -1.499 -9.774 1.00 44.51 H new ATOM 0 HB3 GLU A 16 9.705 -1.958 -11.200 1.00 44.51 H new ATOM 0 HG2 GLU A 16 7.744 -1.591 -12.633 1.00 41.33 H new ATOM 0 HG3 GLU A 16 6.732 -1.285 -11.236 1.00 41.33 H new ATOM 283 N ASP A 17 9.214 -4.118 -8.343 1.00 24.33 N ATOM 284 CA ASP A 17 10.208 -4.696 -7.410 1.00 73.44 C ATOM 285 C ASP A 17 9.719 -6.036 -6.838 1.00 33.53 C ATOM 286 O ASP A 17 10.359 -7.073 -7.031 1.00 42.31 O ATOM 287 CB ASP A 17 10.539 -3.694 -6.270 1.00 22.34 C ATOM 288 CG ASP A 17 11.567 -4.240 -5.266 1.00 41.13 C ATOM 289 OD1 ASP A 17 12.727 -4.464 -5.664 1.00 12.13 O ATOM 290 OD2 ASP A 17 11.227 -4.461 -4.081 1.00 71.33 O ATOM 0 H ASP A 17 8.416 -3.680 -7.882 1.00 24.33 H new ATOM 0 HA ASP A 17 11.123 -4.889 -7.971 1.00 73.44 H new ATOM 0 HB2 ASP A 17 10.921 -2.771 -6.706 1.00 22.34 H new ATOM 0 HB3 ASP A 17 9.621 -3.441 -5.739 1.00 22.34 H new ATOM 295 N LEU A 18 8.569 -6.006 -6.153 1.00 3.35 N ATOM 296 CA LEU A 18 8.074 -7.161 -5.368 1.00 23.51 C ATOM 297 C LEU A 18 7.540 -8.302 -6.258 1.00 2.21 C ATOM 298 O LEU A 18 7.640 -9.475 -5.884 1.00 34.44 O ATOM 299 CB LEU A 18 7.018 -6.707 -4.327 1.00 70.31 C ATOM 300 CG LEU A 18 7.561 -5.883 -3.109 1.00 33.23 C ATOM 301 CD1 LEU A 18 8.771 -6.598 -2.466 1.00 1.20 C ATOM 302 CD2 LEU A 18 7.901 -4.418 -3.462 1.00 1.44 C ATOM 0 H LEU A 18 7.955 -5.192 -6.122 1.00 3.35 H new ATOM 0 HA LEU A 18 8.929 -7.571 -4.831 1.00 23.51 H new ATOM 0 HB2 LEU A 18 6.267 -6.107 -4.840 1.00 70.31 H new ATOM 0 HB3 LEU A 18 6.511 -7.593 -3.944 1.00 70.31 H new ATOM 0 HG LEU A 18 6.751 -5.834 -2.382 1.00 33.23 H new ATOM 0 HD11 LEU A 18 9.134 -6.011 -1.622 1.00 1.20 H new ATOM 0 HD12 LEU A 18 8.467 -7.585 -2.117 1.00 1.20 H new ATOM 0 HD13 LEU A 18 9.566 -6.703 -3.204 1.00 1.20 H new ATOM 0 HD21 LEU A 18 8.271 -3.906 -2.574 1.00 1.44 H new ATOM 0 HD22 LEU A 18 8.667 -4.399 -4.237 1.00 1.44 H new ATOM 0 HD23 LEU A 18 7.005 -3.914 -3.825 1.00 1.44 H new ATOM 314 N ILE A 19 6.952 -7.961 -7.415 1.00 32.42 N ATOM 315 CA ILE A 19 6.647 -8.950 -8.468 1.00 3.31 C ATOM 316 C ILE A 19 7.945 -9.185 -9.254 1.00 54.23 C ATOM 317 O ILE A 19 8.367 -10.332 -9.448 1.00 55.54 O ATOM 318 CB ILE A 19 5.446 -8.506 -9.415 1.00 63.41 C ATOM 319 CG1 ILE A 19 4.052 -8.655 -8.709 1.00 62.53 C ATOM 320 CG2 ILE A 19 5.451 -9.277 -10.763 1.00 22.44 C ATOM 321 CD1 ILE A 19 3.835 -7.836 -7.454 1.00 74.42 C ATOM 0 H ILE A 19 6.677 -7.007 -7.648 1.00 32.42 H new ATOM 0 HA ILE A 19 6.300 -9.876 -8.010 1.00 3.31 H new ATOM 0 HB ILE A 19 5.605 -7.449 -9.629 1.00 63.41 H new ATOM 0 HG12 ILE A 19 3.277 -8.389 -9.427 1.00 62.53 H new ATOM 0 HG13 ILE A 19 3.908 -9.706 -8.459 1.00 62.53 H new ATOM 0 HG21 ILE A 19 4.615 -8.942 -11.377 1.00 22.44 H new ATOM 0 HG22 ILE A 19 6.387 -9.085 -11.288 1.00 22.44 H new ATOM 0 HG23 ILE A 19 5.355 -10.346 -10.571 1.00 22.44 H new ATOM 0 HD11 ILE A 19 2.836 -8.027 -7.063 1.00 74.42 H new ATOM 0 HD12 ILE A 19 4.577 -8.114 -6.705 1.00 74.42 H new ATOM 0 HD13 ILE A 19 3.936 -6.776 -7.689 1.00 74.42 H new ATOM 333 N GLY A 20 8.581 -8.081 -9.665 1.00 31.24 N ATOM 334 CA GLY A 20 9.880 -8.113 -10.339 1.00 24.24 C ATOM 335 C GLY A 20 9.833 -7.471 -11.714 1.00 23.21 C ATOM 336 O GLY A 20 8.864 -6.766 -12.035 1.00 72.04 O ATOM 0 H GLY A 20 8.207 -7.141 -9.538 1.00 31.24 H new ATOM 0 HA2 GLY A 20 10.618 -7.597 -9.725 1.00 24.24 H new ATOM 0 HA3 GLY A 20 10.212 -9.147 -10.435 1.00 24.24 H new ATOM 340 N PRO A 21 10.874 -7.721 -12.577 1.00 55.41 N ATOM 341 CA PRO A 21 11.006 -7.069 -13.903 1.00 60.24 C ATOM 342 C PRO A 21 9.930 -7.540 -14.915 1.00 21.43 C ATOM 343 O PRO A 21 9.763 -6.937 -15.973 1.00 42.40 O ATOM 344 CB PRO A 21 12.442 -7.461 -14.344 1.00 13.32 C ATOM 345 CG PRO A 21 12.708 -8.768 -13.663 1.00 52.10 C ATOM 346 CD PRO A 21 11.998 -8.680 -12.328 1.00 62.43 C ATOM 0 HA PRO A 21 10.852 -5.991 -13.856 1.00 60.24 H new ATOM 0 HB2 PRO A 21 12.510 -7.558 -15.427 1.00 13.32 H new ATOM 0 HB3 PRO A 21 13.168 -6.705 -14.046 1.00 13.32 H new ATOM 0 HG2 PRO A 21 12.331 -9.603 -14.254 1.00 52.10 H new ATOM 0 HG3 PRO A 21 13.777 -8.930 -13.529 1.00 52.10 H new ATOM 0 HD2 PRO A 21 11.628 -9.654 -12.008 1.00 62.43 H new ATOM 0 HD3 PRO A 21 12.664 -8.319 -11.545 1.00 62.43 H new ATOM 354 N SER A 22 9.204 -8.623 -14.572 1.00 43.43 N ATOM 355 CA SER A 22 8.052 -9.112 -15.351 1.00 13.05 C ATOM 356 C SER A 22 6.752 -8.703 -14.630 1.00 72.41 C ATOM 357 O SER A 22 5.897 -9.539 -14.308 1.00 65.24 O ATOM 358 CB SER A 22 8.172 -10.645 -15.538 1.00 14.43 C ATOM 359 OG SER A 22 9.389 -10.982 -16.189 1.00 55.55 O ATOM 0 H SER A 22 9.402 -9.184 -13.744 1.00 43.43 H new ATOM 0 HA SER A 22 8.034 -8.666 -16.345 1.00 13.05 H new ATOM 0 HB2 SER A 22 8.125 -11.139 -14.567 1.00 14.43 H new ATOM 0 HB3 SER A 22 7.328 -11.011 -16.123 1.00 14.43 H new ATOM 0 HG SER A 22 9.445 -11.955 -16.295 1.00 55.55 H new ATOM 365 N ALA A 23 6.649 -7.395 -14.355 1.00 1.22 N ATOM 366 CA ALA A 23 5.506 -6.788 -13.660 1.00 32.44 C ATOM 367 C ALA A 23 4.268 -6.701 -14.571 1.00 10.40 C ATOM 368 O ALA A 23 4.376 -6.819 -15.796 1.00 63.11 O ATOM 369 CB ALA A 23 5.912 -5.400 -13.168 1.00 51.25 C ATOM 0 H ALA A 23 7.368 -6.719 -14.613 1.00 1.22 H new ATOM 0 HA ALA A 23 5.233 -7.417 -12.813 1.00 32.44 H new ATOM 0 HB1 ALA A 23 5.072 -4.938 -12.650 1.00 51.25 H new ATOM 0 HB2 ALA A 23 6.756 -5.489 -12.484 1.00 51.25 H new ATOM 0 HB3 ALA A 23 6.198 -4.782 -14.019 1.00 51.25 H new ATOM 375 N LYS A 24 3.088 -6.498 -13.951 1.00 50.40 N ATOM 376 CA LYS A 24 1.802 -6.378 -14.671 1.00 40.21 C ATOM 377 C LYS A 24 1.059 -5.111 -14.225 1.00 73.54 C ATOM 378 O LYS A 24 0.391 -5.105 -13.192 1.00 72.01 O ATOM 379 CB LYS A 24 0.902 -7.615 -14.403 1.00 42.13 C ATOM 380 CG LYS A 24 1.535 -8.964 -14.782 1.00 60.34 C ATOM 381 CD LYS A 24 0.610 -10.156 -14.452 1.00 3.12 C ATOM 382 CE LYS A 24 1.303 -11.511 -14.640 1.00 24.10 C ATOM 383 NZ LYS A 24 0.458 -12.641 -14.193 1.00 10.20 N ATOM 0 H LYS A 24 2.999 -6.413 -12.939 1.00 50.40 H new ATOM 0 HA LYS A 24 2.020 -6.319 -15.737 1.00 40.21 H new ATOM 0 HB2 LYS A 24 0.642 -7.636 -13.345 1.00 42.13 H new ATOM 0 HB3 LYS A 24 -0.029 -7.497 -14.958 1.00 42.13 H new ATOM 0 HG2 LYS A 24 1.765 -8.969 -15.847 1.00 60.34 H new ATOM 0 HG3 LYS A 24 2.480 -9.082 -14.251 1.00 60.34 H new ATOM 0 HD2 LYS A 24 0.265 -10.069 -13.422 1.00 3.12 H new ATOM 0 HD3 LYS A 24 -0.273 -10.113 -15.089 1.00 3.12 H new ATOM 0 HE2 LYS A 24 1.557 -11.644 -15.692 1.00 24.10 H new ATOM 0 HE3 LYS A 24 2.240 -11.518 -14.083 1.00 24.10 H new ATOM 0 HZ1 LYS A 24 0.968 -13.535 -14.340 1.00 10.20 H new ATOM 0 HZ2 LYS A 24 0.236 -12.530 -13.183 1.00 10.20 H new ATOM 0 HZ3 LYS A 24 -0.425 -12.652 -14.742 1.00 10.20 H new ATOM 397 N GLU A 25 1.178 -4.032 -15.006 1.00 41.11 N ATOM 398 CA GLU A 25 0.327 -2.821 -14.825 1.00 43.23 C ATOM 399 C GLU A 25 -1.153 -3.141 -15.106 1.00 54.40 C ATOM 400 O GLU A 25 -2.034 -2.425 -14.621 1.00 63.41 O ATOM 401 CB GLU A 25 0.792 -1.599 -15.709 1.00 3.43 C ATOM 402 CG GLU A 25 1.626 -1.918 -16.978 1.00 33.22 C ATOM 403 CD GLU A 25 0.948 -2.869 -17.981 1.00 74.32 C ATOM 404 OE1 GLU A 25 0.156 -2.402 -18.824 1.00 13.22 O ATOM 405 OE2 GLU A 25 1.209 -4.085 -17.922 1.00 44.23 O ATOM 0 H GLU A 25 1.849 -3.959 -15.771 1.00 41.11 H new ATOM 0 HA GLU A 25 0.442 -2.525 -13.782 1.00 43.23 H new ATOM 0 HB2 GLU A 25 -0.096 -1.049 -16.018 1.00 3.43 H new ATOM 0 HB3 GLU A 25 1.378 -0.930 -15.079 1.00 3.43 H new ATOM 0 HG2 GLU A 25 1.857 -0.982 -17.487 1.00 33.22 H new ATOM 0 HG3 GLU A 25 2.575 -2.356 -16.670 1.00 33.22 H new ATOM 412 N ASP A 26 -1.382 -4.237 -15.866 1.00 60.14 N ATOM 413 CA ASP A 26 -2.705 -4.671 -16.335 1.00 5.21 C ATOM 414 C ASP A 26 -3.718 -4.721 -15.182 1.00 61.25 C ATOM 415 O ASP A 26 -4.697 -3.973 -15.154 1.00 34.12 O ATOM 416 CB ASP A 26 -2.639 -6.104 -16.944 1.00 74.51 C ATOM 417 CG ASP A 26 -1.565 -6.319 -18.008 1.00 13.22 C ATOM 418 OD1 ASP A 26 -0.409 -6.593 -17.635 1.00 24.43 O ATOM 419 OD2 ASP A 26 -1.885 -6.249 -19.214 1.00 45.31 O ATOM 0 H ASP A 26 -0.630 -4.854 -16.174 1.00 60.14 H new ATOM 0 HA ASP A 26 -3.018 -3.945 -17.086 1.00 5.21 H new ATOM 0 HB2 ASP A 26 -2.472 -6.816 -16.136 1.00 74.51 H new ATOM 0 HB3 ASP A 26 -3.610 -6.339 -17.380 1.00 74.51 H new ATOM 424 N GLU A 27 -3.419 -5.613 -14.226 1.00 13.01 N ATOM 425 CA GLU A 27 -4.325 -5.958 -13.117 1.00 53.12 C ATOM 426 C GLU A 27 -4.186 -4.999 -11.942 1.00 24.31 C ATOM 427 O GLU A 27 -5.011 -5.016 -11.017 1.00 13.24 O ATOM 428 CB GLU A 27 -4.076 -7.406 -12.677 1.00 43.42 C ATOM 429 CG GLU A 27 -2.629 -7.716 -12.238 1.00 2.55 C ATOM 430 CD GLU A 27 -2.381 -9.219 -12.059 1.00 73.31 C ATOM 431 OE1 GLU A 27 -2.547 -9.960 -13.058 1.00 23.14 O ATOM 432 OE2 GLU A 27 -2.014 -9.664 -10.947 1.00 2.51 O ATOM 0 H GLU A 27 -2.534 -6.120 -14.199 1.00 13.01 H new ATOM 0 HA GLU A 27 -5.349 -5.863 -13.477 1.00 53.12 H new ATOM 0 HB2 GLU A 27 -4.748 -7.639 -11.851 1.00 43.42 H new ATOM 0 HB3 GLU A 27 -4.340 -8.070 -13.500 1.00 43.42 H new ATOM 0 HG2 GLU A 27 -1.935 -7.322 -12.980 1.00 2.55 H new ATOM 0 HG3 GLU A 27 -2.419 -7.202 -11.300 1.00 2.55 H new ATOM 439 N LEU A 28 -3.143 -4.170 -11.980 1.00 52.20 N ATOM 440 CA LEU A 28 -2.964 -3.107 -11.014 1.00 75.21 C ATOM 441 C LEU A 28 -3.969 -1.993 -11.347 1.00 33.14 C ATOM 442 O LEU A 28 -3.985 -1.479 -12.470 1.00 64.35 O ATOM 443 CB LEU A 28 -1.495 -2.598 -11.042 1.00 24.15 C ATOM 444 CG LEU A 28 -1.044 -1.668 -9.858 1.00 73.02 C ATOM 445 CD1 LEU A 28 -1.664 -0.239 -9.928 1.00 73.42 C ATOM 446 CD2 LEU A 28 -1.329 -2.347 -8.489 1.00 63.34 C ATOM 0 H LEU A 28 -2.405 -4.223 -12.682 1.00 52.20 H new ATOM 0 HA LEU A 28 -3.152 -3.464 -10.001 1.00 75.21 H new ATOM 0 HB2 LEU A 28 -0.835 -3.465 -11.063 1.00 24.15 H new ATOM 0 HB3 LEU A 28 -1.341 -2.058 -11.976 1.00 24.15 H new ATOM 0 HG LEU A 28 0.032 -1.529 -9.960 1.00 73.02 H new ATOM 0 HD11 LEU A 28 -1.313 0.352 -9.082 1.00 73.42 H new ATOM 0 HD12 LEU A 28 -1.363 0.243 -10.858 1.00 73.42 H new ATOM 0 HD13 LEU A 28 -2.751 -0.312 -9.893 1.00 73.42 H new ATOM 0 HD21 LEU A 28 -1.010 -1.687 -7.682 1.00 63.34 H new ATOM 0 HD22 LEU A 28 -2.397 -2.544 -8.396 1.00 63.34 H new ATOM 0 HD23 LEU A 28 -0.780 -3.287 -8.428 1.00 63.34 H new ATOM 458 N ASP A 29 -4.808 -1.665 -10.372 1.00 53.32 N ATOM 459 CA ASP A 29 -5.751 -0.552 -10.452 1.00 31.45 C ATOM 460 C ASP A 29 -5.911 0.045 -9.040 1.00 3.41 C ATOM 461 O ASP A 29 -5.342 -0.482 -8.063 1.00 52.23 O ATOM 462 CB ASP A 29 -7.113 -1.059 -11.002 1.00 43.44 C ATOM 463 CG ASP A 29 -8.079 0.069 -11.379 1.00 55.12 C ATOM 464 OD1 ASP A 29 -7.822 0.760 -12.383 1.00 61.31 O ATOM 465 OD2 ASP A 29 -9.088 0.284 -10.667 1.00 62.54 O ATOM 0 H ASP A 29 -4.854 -2.172 -9.488 1.00 53.32 H new ATOM 0 HA ASP A 29 -5.383 0.218 -11.130 1.00 31.45 H new ATOM 0 HB2 ASP A 29 -6.933 -1.680 -11.879 1.00 43.44 H new ATOM 0 HB3 ASP A 29 -7.584 -1.695 -10.252 1.00 43.44 H new ATOM 470 N ASP A 30 -6.653 1.150 -8.944 1.00 53.41 N ATOM 471 CA ASP A 30 -6.984 1.788 -7.678 1.00 44.40 C ATOM 472 C ASP A 30 -8.044 0.970 -6.908 1.00 4.33 C ATOM 473 O ASP A 30 -7.896 0.722 -5.711 1.00 52.21 O ATOM 474 CB ASP A 30 -7.471 3.234 -7.939 1.00 62.22 C ATOM 475 CG ASP A 30 -7.979 3.920 -6.665 1.00 21.42 C ATOM 476 OD1 ASP A 30 -7.150 4.346 -5.838 1.00 33.13 O ATOM 477 OD2 ASP A 30 -9.204 4.023 -6.477 1.00 3.34 O ATOM 0 H ASP A 30 -7.043 1.629 -9.756 1.00 53.41 H new ATOM 0 HA ASP A 30 -6.091 1.827 -7.055 1.00 44.40 H new ATOM 0 HB2 ASP A 30 -6.654 3.819 -8.362 1.00 62.22 H new ATOM 0 HB3 ASP A 30 -8.269 3.217 -8.682 1.00 62.22 H new ATOM 482 N GLN A 31 -9.100 0.558 -7.620 1.00 12.10 N ATOM 483 CA GLN A 31 -10.271 -0.117 -7.013 1.00 62.12 C ATOM 484 C GLN A 31 -10.248 -1.644 -7.233 1.00 45.31 C ATOM 485 O GLN A 31 -11.286 -2.307 -7.122 1.00 44.41 O ATOM 486 CB GLN A 31 -11.575 0.524 -7.549 1.00 75.34 C ATOM 487 CG GLN A 31 -11.734 2.008 -7.147 1.00 23.42 C ATOM 488 CD GLN A 31 -13.048 2.650 -7.571 1.00 15.14 C ATOM 489 OE1 GLN A 31 -14.081 1.986 -7.674 1.00 31.54 O ATOM 490 NE2 GLN A 31 -13.019 3.952 -7.791 1.00 74.23 N ATOM 0 H GLN A 31 -9.174 0.679 -8.630 1.00 12.10 H new ATOM 0 HA GLN A 31 -10.227 0.027 -5.934 1.00 62.12 H new ATOM 0 HB2 GLN A 31 -11.591 0.445 -8.636 1.00 75.34 H new ATOM 0 HB3 GLN A 31 -12.430 -0.040 -7.176 1.00 75.34 H new ATOM 0 HG2 GLN A 31 -11.640 2.088 -6.064 1.00 23.42 H new ATOM 0 HG3 GLN A 31 -10.912 2.577 -7.581 1.00 23.42 H new ATOM 0 HE21 GLN A 31 -12.143 4.466 -7.695 1.00 74.23 H new ATOM 0 HE22 GLN A 31 -13.872 4.443 -8.057 1.00 74.23 H new ATOM 499 N THR A 32 -9.070 -2.192 -7.546 1.00 33.34 N ATOM 500 CA THR A 32 -8.843 -3.647 -7.551 1.00 61.50 C ATOM 501 C THR A 32 -8.418 -4.122 -6.142 1.00 61.13 C ATOM 502 O THR A 32 -7.460 -3.574 -5.577 1.00 52.20 O ATOM 503 CB THR A 32 -7.773 -4.032 -8.611 1.00 40.50 C ATOM 504 OG1 THR A 32 -8.309 -3.748 -9.909 1.00 71.33 O ATOM 505 CG2 THR A 32 -7.343 -5.518 -8.545 1.00 31.44 C ATOM 0 H THR A 32 -8.248 -1.645 -7.803 1.00 33.34 H new ATOM 0 HA THR A 32 -9.774 -4.146 -7.819 1.00 61.50 H new ATOM 0 HB THR A 32 -6.878 -3.446 -8.404 1.00 40.50 H new ATOM 0 HG1 THR A 32 -7.649 -3.982 -10.594 1.00 71.33 H new ATOM 0 HG21 THR A 32 -6.595 -5.715 -9.313 1.00 31.44 H new ATOM 0 HG22 THR A 32 -6.920 -5.731 -7.563 1.00 31.44 H new ATOM 0 HG23 THR A 32 -8.211 -6.156 -8.712 1.00 31.44 H new ATOM 513 N PRO A 33 -9.141 -5.133 -5.546 1.00 51.12 N ATOM 514 CA PRO A 33 -8.794 -5.680 -4.215 1.00 74.12 C ATOM 515 C PRO A 33 -7.517 -6.550 -4.262 1.00 11.01 C ATOM 516 O PRO A 33 -7.542 -7.703 -4.684 1.00 35.43 O ATOM 517 CB PRO A 33 -10.046 -6.518 -3.856 1.00 43.31 C ATOM 518 CG PRO A 33 -10.637 -6.925 -5.171 1.00 42.21 C ATOM 519 CD PRO A 33 -10.356 -5.785 -6.118 1.00 31.10 C ATOM 0 HA PRO A 33 -8.566 -4.907 -3.481 1.00 74.12 H new ATOM 0 HB2 PRO A 33 -9.778 -7.389 -3.258 1.00 43.31 H new ATOM 0 HB3 PRO A 33 -10.755 -5.934 -3.269 1.00 43.31 H new ATOM 0 HG2 PRO A 33 -10.190 -7.852 -5.531 1.00 42.21 H new ATOM 0 HG3 PRO A 33 -11.709 -7.103 -5.080 1.00 42.21 H new ATOM 0 HD2 PRO A 33 -10.177 -6.143 -7.132 1.00 31.10 H new ATOM 0 HD3 PRO A 33 -11.195 -5.091 -6.168 1.00 31.10 H new ATOM 527 N LEU A 34 -6.414 -5.994 -3.779 1.00 22.30 N ATOM 528 CA LEU A 34 -5.090 -6.612 -3.864 1.00 1.30 C ATOM 529 C LEU A 34 -4.958 -7.835 -2.929 1.00 65.32 C ATOM 530 O LEU A 34 -4.314 -8.823 -3.286 1.00 14.33 O ATOM 531 CB LEU A 34 -4.034 -5.541 -3.540 1.00 22.55 C ATOM 532 CG LEU A 34 -4.145 -4.215 -4.364 1.00 45.42 C ATOM 533 CD1 LEU A 34 -3.171 -3.150 -3.842 1.00 44.30 C ATOM 534 CD2 LEU A 34 -3.944 -4.467 -5.882 1.00 14.25 C ATOM 0 H LEU A 34 -6.410 -5.088 -3.310 1.00 22.30 H new ATOM 0 HA LEU A 34 -4.936 -6.990 -4.875 1.00 1.30 H new ATOM 0 HB2 LEU A 34 -4.103 -5.297 -2.480 1.00 22.55 H new ATOM 0 HB3 LEU A 34 -3.045 -5.969 -3.705 1.00 22.55 H new ATOM 0 HG LEU A 34 -5.157 -3.833 -4.229 1.00 45.42 H new ATOM 0 HD11 LEU A 34 -3.273 -2.241 -4.436 1.00 44.30 H new ATOM 0 HD12 LEU A 34 -3.398 -2.929 -2.799 1.00 44.30 H new ATOM 0 HD13 LEU A 34 -2.149 -3.522 -3.920 1.00 44.30 H new ATOM 0 HD21 LEU A 34 -4.028 -3.524 -6.422 1.00 14.25 H new ATOM 0 HD22 LEU A 34 -2.956 -4.896 -6.052 1.00 14.25 H new ATOM 0 HD23 LEU A 34 -4.706 -5.159 -6.240 1.00 14.25 H new ATOM 546 N LEU A 35 -5.584 -7.760 -1.740 1.00 62.21 N ATOM 547 CA LEU A 35 -5.589 -8.885 -0.756 1.00 63.41 C ATOM 548 C LEU A 35 -6.406 -10.060 -1.282 1.00 75.43 C ATOM 549 O LEU A 35 -5.986 -11.216 -1.170 1.00 11.33 O ATOM 550 CB LEU A 35 -6.142 -8.453 0.636 1.00 22.35 C ATOM 551 CG LEU A 35 -5.167 -7.650 1.543 1.00 71.04 C ATOM 552 CD1 LEU A 35 -3.906 -8.466 1.904 1.00 23.10 C ATOM 553 CD2 LEU A 35 -4.801 -6.313 0.907 1.00 65.23 C ATOM 0 H LEU A 35 -6.097 -6.936 -1.427 1.00 62.21 H new ATOM 0 HA LEU A 35 -4.550 -9.188 -0.627 1.00 63.41 H new ATOM 0 HB2 LEU A 35 -7.037 -7.851 0.477 1.00 22.35 H new ATOM 0 HB3 LEU A 35 -6.452 -9.349 1.175 1.00 22.35 H new ATOM 0 HG LEU A 35 -5.690 -7.445 2.477 1.00 71.04 H new ATOM 0 HD11 LEU A 35 -3.254 -7.866 2.538 1.00 23.10 H new ATOM 0 HD12 LEU A 35 -4.198 -9.371 2.437 1.00 23.10 H new ATOM 0 HD13 LEU A 35 -3.375 -8.738 0.992 1.00 23.10 H new ATOM 0 HD21 LEU A 35 -4.118 -5.773 1.563 1.00 65.23 H new ATOM 0 HD22 LEU A 35 -4.318 -6.488 -0.055 1.00 65.23 H new ATOM 0 HD23 LEU A 35 -5.704 -5.722 0.757 1.00 65.23 H new ATOM 565 N GLU A 36 -7.571 -9.740 -1.856 1.00 3.33 N ATOM 566 CA GLU A 36 -8.490 -10.731 -2.442 1.00 11.01 C ATOM 567 C GLU A 36 -7.822 -11.440 -3.637 1.00 61.25 C ATOM 568 O GLU A 36 -8.103 -12.607 -3.917 1.00 21.41 O ATOM 569 CB GLU A 36 -9.814 -10.011 -2.827 1.00 72.31 C ATOM 570 CG GLU A 36 -11.007 -10.901 -3.261 1.00 21.14 C ATOM 571 CD GLU A 36 -11.030 -11.241 -4.761 1.00 55.14 C ATOM 572 OE1 GLU A 36 -11.328 -10.345 -5.578 1.00 33.22 O ATOM 573 OE2 GLU A 36 -10.754 -12.397 -5.131 1.00 61.21 O ATOM 0 H GLU A 36 -7.908 -8.780 -1.929 1.00 3.33 H new ATOM 0 HA GLU A 36 -8.728 -11.512 -1.720 1.00 11.01 H new ATOM 0 HB2 GLU A 36 -10.133 -9.412 -1.974 1.00 72.31 H new ATOM 0 HB3 GLU A 36 -9.597 -9.318 -3.640 1.00 72.31 H new ATOM 0 HG2 GLU A 36 -10.979 -11.829 -2.690 1.00 21.14 H new ATOM 0 HG3 GLU A 36 -11.937 -10.395 -3.001 1.00 21.14 H new ATOM 580 N TRP A 37 -6.888 -10.741 -4.307 1.00 4.11 N ATOM 581 CA TRP A 37 -6.142 -11.297 -5.456 1.00 73.22 C ATOM 582 C TRP A 37 -4.811 -11.946 -5.000 1.00 62.21 C ATOM 583 O TRP A 37 -4.047 -12.453 -5.829 1.00 11.14 O ATOM 584 CB TRP A 37 -5.884 -10.181 -6.501 1.00 63.12 C ATOM 585 CG TRP A 37 -7.109 -9.734 -7.284 1.00 61.10 C ATOM 586 CD1 TRP A 37 -8.365 -9.503 -6.803 1.00 5.20 C ATOM 587 CD2 TRP A 37 -7.175 -9.465 -8.689 1.00 44.04 C ATOM 588 NE1 TRP A 37 -9.200 -9.106 -7.811 1.00 14.50 N ATOM 589 CE2 TRP A 37 -8.494 -9.072 -8.981 1.00 61.14 C ATOM 590 CE3 TRP A 37 -6.244 -9.512 -9.726 1.00 62.20 C ATOM 591 CZ2 TRP A 37 -8.906 -8.734 -10.266 1.00 33.14 C ATOM 592 CZ3 TRP A 37 -6.654 -9.176 -10.999 1.00 22.13 C ATOM 593 CH2 TRP A 37 -7.973 -8.791 -11.261 1.00 34.23 C ATOM 0 H TRP A 37 -6.629 -9.783 -4.072 1.00 4.11 H new ATOM 0 HA TRP A 37 -6.745 -12.080 -5.916 1.00 73.22 H new ATOM 0 HB2 TRP A 37 -5.464 -9.315 -5.989 1.00 63.12 H new ATOM 0 HB3 TRP A 37 -5.130 -10.532 -7.205 1.00 63.12 H new ATOM 0 HD1 TRP A 37 -8.659 -9.618 -5.770 1.00 5.20 H new ATOM 0 HE1 TRP A 37 -10.188 -8.873 -7.707 1.00 14.50 H new ATOM 0 HE3 TRP A 37 -5.222 -9.806 -9.536 1.00 62.20 H new ATOM 0 HZ2 TRP A 37 -9.925 -8.438 -10.469 1.00 33.14 H new ATOM 0 HZ3 TRP A 37 -5.942 -9.211 -11.810 1.00 22.13 H new ATOM 0 HH2 TRP A 37 -8.259 -8.534 -12.270 1.00 34.23 H new ATOM 604 N GLY A 38 -4.546 -11.910 -3.677 1.00 42.22 N ATOM 605 CA GLY A 38 -3.336 -12.496 -3.084 1.00 15.31 C ATOM 606 C GLY A 38 -2.044 -11.742 -3.421 1.00 52.13 C ATOM 607 O GLY A 38 -0.950 -12.222 -3.109 1.00 25.14 O ATOM 0 H GLY A 38 -5.167 -11.474 -2.995 1.00 42.22 H new ATOM 0 HA2 GLY A 38 -3.454 -12.527 -2.001 1.00 15.31 H new ATOM 0 HA3 GLY A 38 -3.241 -13.527 -3.424 1.00 15.31 H new ATOM 611 N ILE A 39 -2.192 -10.545 -4.019 1.00 22.44 N ATOM 612 CA ILE A 39 -1.077 -9.693 -4.482 1.00 44.42 C ATOM 613 C ILE A 39 -0.230 -9.240 -3.282 1.00 21.24 C ATOM 614 O ILE A 39 0.992 -9.123 -3.378 1.00 43.55 O ATOM 615 CB ILE A 39 -1.656 -8.445 -5.283 1.00 11.33 C ATOM 616 CG1 ILE A 39 -2.387 -8.921 -6.590 1.00 35.32 C ATOM 617 CG2 ILE A 39 -0.575 -7.375 -5.607 1.00 61.12 C ATOM 618 CD1 ILE A 39 -3.079 -7.824 -7.404 1.00 30.03 C ATOM 0 H ILE A 39 -3.108 -10.134 -4.198 1.00 22.44 H new ATOM 0 HA ILE A 39 -0.433 -10.263 -5.152 1.00 44.42 H new ATOM 0 HB ILE A 39 -2.380 -7.959 -4.629 1.00 11.33 H new ATOM 0 HG12 ILE A 39 -1.658 -9.418 -7.231 1.00 35.32 H new ATOM 0 HG13 ILE A 39 -3.132 -9.668 -6.316 1.00 35.32 H new ATOM 0 HG21 ILE A 39 -1.032 -6.550 -6.154 1.00 61.12 H new ATOM 0 HG22 ILE A 39 -0.144 -7.001 -4.679 1.00 61.12 H new ATOM 0 HG23 ILE A 39 0.210 -7.823 -6.216 1.00 61.12 H new ATOM 0 HD11 ILE A 39 -3.550 -8.265 -8.283 1.00 30.03 H new ATOM 0 HD12 ILE A 39 -3.838 -7.340 -6.790 1.00 30.03 H new ATOM 0 HD13 ILE A 39 -2.342 -7.085 -7.720 1.00 30.03 H new ATOM 630 N LEU A 40 -0.904 -9.021 -2.140 1.00 23.13 N ATOM 631 CA LEU A 40 -0.262 -8.572 -0.900 1.00 74.33 C ATOM 632 C LEU A 40 -0.235 -9.702 0.133 1.00 62.52 C ATOM 633 O LEU A 40 -1.275 -10.119 0.635 1.00 73.43 O ATOM 634 CB LEU A 40 -0.998 -7.328 -0.354 1.00 41.11 C ATOM 635 CG LEU A 40 -1.160 -6.154 -1.370 1.00 20.24 C ATOM 636 CD1 LEU A 40 -1.843 -4.936 -0.724 1.00 22.25 C ATOM 637 CD2 LEU A 40 0.187 -5.775 -2.021 1.00 71.13 C ATOM 0 H LEU A 40 -1.912 -9.152 -2.054 1.00 23.13 H new ATOM 0 HA LEU A 40 0.771 -8.297 -1.110 1.00 74.33 H new ATOM 0 HB2 LEU A 40 -1.988 -7.632 -0.013 1.00 41.11 H new ATOM 0 HB3 LEU A 40 -0.459 -6.960 0.519 1.00 41.11 H new ATOM 0 HG LEU A 40 -1.815 -6.505 -2.168 1.00 20.24 H new ATOM 0 HD11 LEU A 40 -1.939 -4.139 -1.461 1.00 22.25 H new ATOM 0 HD12 LEU A 40 -2.833 -5.221 -0.367 1.00 22.25 H new ATOM 0 HD13 LEU A 40 -1.242 -4.584 0.115 1.00 22.25 H new ATOM 0 HD21 LEU A 40 0.034 -4.954 -2.722 1.00 71.13 H new ATOM 0 HD22 LEU A 40 0.890 -5.466 -1.248 1.00 71.13 H new ATOM 0 HD23 LEU A 40 0.589 -6.637 -2.553 1.00 71.13 H new ATOM 649 N ASN A 41 0.976 -10.214 0.386 1.00 72.43 N ATOM 650 CA ASN A 41 1.288 -11.192 1.444 1.00 12.22 C ATOM 651 C ASN A 41 2.603 -10.760 2.103 1.00 32.25 C ATOM 652 O ASN A 41 3.325 -9.951 1.523 1.00 61.24 O ATOM 653 CB ASN A 41 1.407 -12.608 0.833 1.00 41.03 C ATOM 654 CG ASN A 41 0.066 -13.220 0.407 1.00 55.44 C ATOM 655 OD1 ASN A 41 -0.968 -13.036 1.218 1.00 70.35 O flip ATOM 656 ND2 ASN A 41 -0.022 -13.900 -0.614 1.00 62.13 N flip ATOM 0 H ASN A 41 1.798 -9.951 -0.158 1.00 72.43 H new ATOM 0 HA ASN A 41 0.496 -11.225 2.192 1.00 12.22 H new ATOM 0 HB2 ASN A 41 2.066 -12.564 -0.034 1.00 41.03 H new ATOM 0 HB3 ASN A 41 1.881 -13.267 1.560 1.00 41.03 H new ATOM 0 HD21 ASN A 41 0.792 -14.022 -1.217 1.00 62.13 H new ATOM 0 HD22 ASN A 41 -0.909 -14.342 -0.858 1.00 62.13 H new ATOM 663 N SER A 42 2.950 -11.321 3.285 1.00 1.54 N ATOM 664 CA SER A 42 4.102 -10.832 4.108 1.00 13.21 C ATOM 665 C SER A 42 5.508 -11.073 3.494 1.00 44.02 C ATOM 666 O SER A 42 6.516 -10.866 4.157 1.00 64.02 O ATOM 667 CB SER A 42 4.025 -11.398 5.544 1.00 63.41 C ATOM 668 OG SER A 42 3.097 -10.663 6.302 1.00 5.52 O ATOM 0 H SER A 42 2.455 -12.112 3.697 1.00 1.54 H new ATOM 0 HA SER A 42 3.992 -9.748 4.128 1.00 13.21 H new ATOM 0 HB2 SER A 42 3.733 -12.448 5.515 1.00 63.41 H new ATOM 0 HB3 SER A 42 5.007 -11.354 6.014 1.00 63.41 H new ATOM 673 N MET A 43 5.568 -11.463 2.217 1.00 34.44 N ATOM 674 CA MET A 43 6.837 -11.559 1.462 1.00 71.45 C ATOM 675 C MET A 43 7.067 -10.290 0.616 1.00 13.41 C ATOM 676 O MET A 43 8.133 -10.130 0.016 1.00 45.22 O ATOM 677 CB MET A 43 6.816 -12.829 0.568 1.00 40.21 C ATOM 678 CG MET A 43 5.548 -13.000 -0.313 1.00 75.30 C ATOM 679 SD MET A 43 4.603 -14.501 0.087 1.00 41.14 S ATOM 680 CE MET A 43 4.317 -14.322 1.856 1.00 62.32 C ATOM 0 H MET A 43 4.745 -11.722 1.672 1.00 34.44 H new ATOM 0 HA MET A 43 7.665 -11.639 2.166 1.00 71.45 H new ATOM 0 HB2 MET A 43 7.690 -12.810 -0.083 1.00 40.21 H new ATOM 0 HB3 MET A 43 6.914 -13.706 1.208 1.00 40.21 H new ATOM 0 HG2 MET A 43 4.905 -12.129 -0.188 1.00 75.30 H new ATOM 0 HG3 MET A 43 5.843 -13.031 -1.362 1.00 75.30 H new ATOM 0 HE1 MET A 43 3.618 -15.088 2.191 1.00 62.32 H new ATOM 0 HE2 MET A 43 5.261 -14.434 2.390 1.00 62.32 H new ATOM 0 HE3 MET A 43 3.900 -13.336 2.059 1.00 62.32 H new ATOM 690 N ASN A 44 6.067 -9.390 0.596 1.00 21.53 N ATOM 691 CA ASN A 44 6.099 -8.162 -0.230 1.00 24.23 C ATOM 692 C ASN A 44 5.439 -6.964 0.483 1.00 72.42 C ATOM 693 O ASN A 44 5.887 -5.822 0.329 1.00 1.14 O ATOM 694 CB ASN A 44 5.455 -8.437 -1.626 1.00 34.41 C ATOM 695 CG ASN A 44 3.991 -8.913 -1.637 1.00 50.03 C ATOM 696 OD1 ASN A 44 3.172 -8.538 -0.803 1.00 62.42 O ATOM 697 ND2 ASN A 44 3.655 -9.748 -2.610 1.00 3.33 N ATOM 0 H ASN A 44 5.216 -9.490 1.149 1.00 21.53 H new ATOM 0 HA ASN A 44 7.142 -7.885 -0.383 1.00 24.23 H new ATOM 0 HB2 ASN A 44 5.518 -7.522 -2.215 1.00 34.41 H new ATOM 0 HB3 ASN A 44 6.059 -9.187 -2.136 1.00 34.41 H new ATOM 0 HD21 ASN A 44 2.698 -10.093 -2.678 1.00 3.33 H new ATOM 0 HD22 ASN A 44 4.354 -10.045 -3.291 1.00 3.33 H new ATOM 704 N ILE A 45 4.407 -7.247 1.297 1.00 3.45 N ATOM 705 CA ILE A 45 3.578 -6.220 1.978 1.00 34.44 C ATOM 706 C ILE A 45 4.386 -5.498 3.083 1.00 0.43 C ATOM 707 O ILE A 45 4.107 -4.344 3.428 1.00 71.04 O ATOM 708 CB ILE A 45 2.277 -6.887 2.575 1.00 52.25 C ATOM 709 CG1 ILE A 45 1.155 -5.849 2.862 1.00 21.25 C ATOM 710 CG2 ILE A 45 2.583 -7.698 3.861 1.00 42.30 C ATOM 711 CD1 ILE A 45 -0.113 -6.477 3.414 1.00 22.44 C ATOM 0 H ILE A 45 4.117 -8.202 1.507 1.00 3.45 H new ATOM 0 HA ILE A 45 3.281 -5.470 1.244 1.00 34.44 H new ATOM 0 HB ILE A 45 1.915 -7.571 1.808 1.00 52.25 H new ATOM 0 HG12 ILE A 45 1.526 -5.110 3.572 1.00 21.25 H new ATOM 0 HG13 ILE A 45 0.918 -5.316 1.941 1.00 21.25 H new ATOM 0 HG21 ILE A 45 1.662 -8.141 4.240 1.00 42.30 H new ATOM 0 HG22 ILE A 45 3.298 -8.488 3.631 1.00 42.30 H new ATOM 0 HG23 ILE A 45 3.005 -7.036 4.617 1.00 42.30 H new ATOM 0 HD11 ILE A 45 -0.856 -5.700 3.593 1.00 22.44 H new ATOM 0 HD12 ILE A 45 -0.506 -7.196 2.695 1.00 22.44 H new ATOM 0 HD13 ILE A 45 0.111 -6.987 4.351 1.00 22.44 H new ATOM 723 N VAL A 46 5.410 -6.202 3.600 1.00 75.41 N ATOM 724 CA VAL A 46 6.305 -5.704 4.660 1.00 32.52 C ATOM 725 C VAL A 46 7.229 -4.597 4.118 1.00 44.02 C ATOM 726 O VAL A 46 7.663 -3.697 4.850 1.00 60.44 O ATOM 727 CB VAL A 46 7.142 -6.889 5.254 1.00 1.12 C ATOM 728 CG1 VAL A 46 8.042 -6.428 6.423 1.00 41.13 C ATOM 729 CG2 VAL A 46 6.211 -8.044 5.697 1.00 13.50 C ATOM 0 H VAL A 46 5.642 -7.145 3.289 1.00 75.41 H new ATOM 0 HA VAL A 46 5.699 -5.272 5.457 1.00 32.52 H new ATOM 0 HB VAL A 46 7.799 -7.255 4.465 1.00 1.12 H new ATOM 0 HG11 VAL A 46 8.605 -7.279 6.806 1.00 41.13 H new ATOM 0 HG12 VAL A 46 8.735 -5.664 6.070 1.00 41.13 H new ATOM 0 HG13 VAL A 46 7.422 -6.015 7.219 1.00 41.13 H new ATOM 0 HG21 VAL A 46 6.810 -8.857 6.107 1.00 13.50 H new ATOM 0 HG22 VAL A 46 5.520 -7.683 6.459 1.00 13.50 H new ATOM 0 HG23 VAL A 46 5.646 -8.406 4.838 1.00 13.50 H new ATOM 739 N LYS A 47 7.480 -4.659 2.807 1.00 12.22 N ATOM 740 CA LYS A 47 8.297 -3.669 2.098 1.00 43.31 C ATOM 741 C LYS A 47 7.532 -2.348 1.964 1.00 41.13 C ATOM 742 O LYS A 47 8.147 -1.293 1.853 1.00 53.12 O ATOM 743 CB LYS A 47 8.738 -4.186 0.711 1.00 32.53 C ATOM 744 CG LYS A 47 9.826 -5.276 0.726 1.00 1.13 C ATOM 745 CD LYS A 47 9.367 -6.616 1.355 1.00 32.13 C ATOM 746 CE LYS A 47 10.285 -7.786 0.983 1.00 43.25 C ATOM 747 NZ LYS A 47 11.717 -7.493 1.218 1.00 72.30 N ATOM 0 H LYS A 47 7.121 -5.400 2.205 1.00 12.22 H new ATOM 0 HA LYS A 47 9.199 -3.496 2.685 1.00 43.31 H new ATOM 0 HB2 LYS A 47 7.863 -4.578 0.193 1.00 32.53 H new ATOM 0 HB3 LYS A 47 9.102 -3.341 0.126 1.00 32.53 H new ATOM 0 HG2 LYS A 47 10.155 -5.460 -0.297 1.00 1.13 H new ATOM 0 HG3 LYS A 47 10.690 -4.905 1.277 1.00 1.13 H new ATOM 0 HD2 LYS A 47 9.337 -6.513 2.440 1.00 32.13 H new ATOM 0 HD3 LYS A 47 8.351 -6.838 1.028 1.00 32.13 H new ATOM 0 HE2 LYS A 47 9.999 -8.664 1.563 1.00 43.25 H new ATOM 0 HE3 LYS A 47 10.138 -8.036 -0.068 1.00 43.25 H new ATOM 0 HZ1 LYS A 47 12.278 -8.355 1.063 1.00 72.30 H new ATOM 0 HZ2 LYS A 47 12.032 -6.752 0.560 1.00 72.30 H new ATOM 0 HZ3 LYS A 47 11.848 -7.166 2.197 1.00 72.30 H new ATOM 761 N LEU A 48 6.186 -2.427 1.970 1.00 32.22 N ATOM 762 CA LEU A 48 5.321 -1.237 2.003 1.00 64.14 C ATOM 763 C LEU A 48 5.374 -0.579 3.385 1.00 54.12 C ATOM 764 O LEU A 48 5.395 0.640 3.473 1.00 71.14 O ATOM 765 CB LEU A 48 3.846 -1.553 1.611 1.00 42.20 C ATOM 766 CG LEU A 48 3.590 -1.876 0.101 1.00 62.54 C ATOM 767 CD1 LEU A 48 4.163 -0.761 -0.818 1.00 23.21 C ATOM 768 CD2 LEU A 48 4.138 -3.266 -0.301 1.00 13.15 C ATOM 0 H LEU A 48 5.675 -3.310 1.952 1.00 32.22 H new ATOM 0 HA LEU A 48 5.707 -0.544 1.255 1.00 64.14 H new ATOM 0 HB2 LEU A 48 3.507 -2.401 2.206 1.00 42.20 H new ATOM 0 HB3 LEU A 48 3.227 -0.700 1.890 1.00 42.20 H new ATOM 0 HG LEU A 48 2.509 -1.907 -0.038 1.00 62.54 H new ATOM 0 HD11 LEU A 48 3.970 -1.014 -1.861 1.00 23.21 H new ATOM 0 HD12 LEU A 48 3.684 0.189 -0.580 1.00 23.21 H new ATOM 0 HD13 LEU A 48 5.238 -0.675 -0.659 1.00 23.21 H new ATOM 0 HD21 LEU A 48 3.937 -3.445 -1.357 1.00 13.15 H new ATOM 0 HD22 LEU A 48 5.213 -3.298 -0.126 1.00 13.15 H new ATOM 0 HD23 LEU A 48 3.650 -4.036 0.297 1.00 13.15 H new ATOM 780 N MET A 49 5.436 -1.405 4.451 1.00 32.11 N ATOM 781 CA MET A 49 5.483 -0.917 5.852 1.00 11.22 C ATOM 782 C MET A 49 6.688 0.025 6.047 1.00 74.15 C ATOM 783 O MET A 49 6.548 1.139 6.572 1.00 54.34 O ATOM 784 CB MET A 49 5.579 -2.104 6.848 1.00 74.11 C ATOM 785 CG MET A 49 4.455 -3.142 6.757 1.00 13.23 C ATOM 786 SD MET A 49 4.778 -4.558 7.833 1.00 21.41 S ATOM 787 CE MET A 49 3.523 -5.726 7.321 1.00 44.13 C ATOM 0 H MET A 49 5.455 -2.422 4.370 1.00 32.11 H new ATOM 0 HA MET A 49 4.562 -0.370 6.052 1.00 11.22 H new ATOM 0 HB2 MET A 49 6.531 -2.611 6.689 1.00 74.11 H new ATOM 0 HB3 MET A 49 5.597 -1.703 7.861 1.00 74.11 H new ATOM 0 HG2 MET A 49 3.508 -2.680 7.035 1.00 13.23 H new ATOM 0 HG3 MET A 49 4.354 -3.482 5.726 1.00 13.23 H new ATOM 0 HE1 MET A 49 3.157 -6.271 8.191 1.00 44.13 H new ATOM 0 HE2 MET A 49 2.696 -5.190 6.854 1.00 44.13 H new ATOM 0 HE3 MET A 49 3.950 -6.429 6.606 1.00 44.13 H new ATOM 797 N VAL A 50 7.863 -0.440 5.579 1.00 41.41 N ATOM 798 CA VAL A 50 9.120 0.328 5.661 1.00 32.12 C ATOM 799 C VAL A 50 9.146 1.471 4.620 1.00 53.14 C ATOM 800 O VAL A 50 9.731 2.527 4.880 1.00 74.22 O ATOM 801 CB VAL A 50 10.392 -0.595 5.498 1.00 22.14 C ATOM 802 CG1 VAL A 50 10.450 -1.278 4.107 1.00 52.23 C ATOM 803 CG2 VAL A 50 11.703 0.185 5.787 1.00 44.43 C ATOM 0 H VAL A 50 7.967 -1.353 5.136 1.00 41.41 H new ATOM 0 HA VAL A 50 9.156 0.766 6.658 1.00 32.12 H new ATOM 0 HB VAL A 50 10.298 -1.386 6.242 1.00 22.14 H new ATOM 0 HG11 VAL A 50 11.342 -1.901 4.045 1.00 52.23 H new ATOM 0 HG12 VAL A 50 9.564 -1.898 3.969 1.00 52.23 H new ATOM 0 HG13 VAL A 50 10.485 -0.516 3.329 1.00 52.23 H new ATOM 0 HG21 VAL A 50 12.557 -0.481 5.665 1.00 44.43 H new ATOM 0 HG22 VAL A 50 11.791 1.019 5.091 1.00 44.43 H new ATOM 0 HG23 VAL A 50 11.682 0.566 6.808 1.00 44.43 H new ATOM 813 N TYR A 51 8.484 1.251 3.455 1.00 72.04 N ATOM 814 CA TYR A 51 8.441 2.234 2.345 1.00 1.43 C ATOM 815 C TYR A 51 7.794 3.530 2.822 1.00 13.03 C ATOM 816 O TYR A 51 8.374 4.597 2.710 1.00 14.14 O ATOM 817 CB TYR A 51 7.633 1.703 1.127 1.00 32.15 C ATOM 818 CG TYR A 51 7.798 2.552 -0.154 1.00 12.35 C ATOM 819 CD1 TYR A 51 6.966 3.646 -0.430 1.00 72.31 C ATOM 820 CD2 TYR A 51 8.795 2.258 -1.083 1.00 15.00 C ATOM 821 CE1 TYR A 51 7.119 4.397 -1.578 1.00 74.02 C ATOM 822 CE2 TYR A 51 8.951 3.009 -2.237 1.00 44.31 C ATOM 823 CZ TYR A 51 8.111 4.080 -2.477 1.00 14.04 C ATOM 824 OH TYR A 51 8.257 4.835 -3.617 1.00 62.33 O ATOM 0 H TYR A 51 7.969 0.392 3.261 1.00 72.04 H new ATOM 0 HA TYR A 51 9.471 2.408 2.032 1.00 1.43 H new ATOM 0 HB2 TYR A 51 7.944 0.680 0.915 1.00 32.15 H new ATOM 0 HB3 TYR A 51 6.577 1.666 1.393 1.00 32.15 H new ATOM 0 HD1 TYR A 51 6.188 3.907 0.272 1.00 72.31 H new ATOM 0 HD2 TYR A 51 9.460 1.427 -0.899 1.00 15.00 H new ATOM 0 HE1 TYR A 51 6.461 5.232 -1.770 1.00 74.02 H new ATOM 0 HE2 TYR A 51 9.726 2.758 -2.946 1.00 44.31 H new ATOM 0 HH TYR A 51 9.002 4.484 -4.148 1.00 62.33 H new ATOM 834 N ILE A 52 6.588 3.379 3.376 1.00 74.11 N ATOM 835 CA ILE A 52 5.718 4.491 3.785 1.00 64.14 C ATOM 836 C ILE A 52 6.333 5.244 4.981 1.00 5.24 C ATOM 837 O ILE A 52 6.132 6.451 5.132 1.00 20.24 O ATOM 838 CB ILE A 52 4.277 3.935 4.111 1.00 32.53 C ATOM 839 CG1 ILE A 52 3.721 3.143 2.876 1.00 21.42 C ATOM 840 CG2 ILE A 52 3.307 5.063 4.508 1.00 34.31 C ATOM 841 CD1 ILE A 52 2.573 2.205 3.180 1.00 65.23 C ATOM 0 H ILE A 52 6.178 2.463 3.558 1.00 74.11 H new ATOM 0 HA ILE A 52 5.628 5.209 2.970 1.00 64.14 H new ATOM 0 HB ILE A 52 4.360 3.262 4.965 1.00 32.53 H new ATOM 0 HG12 ILE A 52 3.395 3.859 2.121 1.00 21.42 H new ATOM 0 HG13 ILE A 52 4.535 2.566 2.437 1.00 21.42 H new ATOM 0 HG21 ILE A 52 2.326 4.640 4.725 1.00 34.31 H new ATOM 0 HG22 ILE A 52 3.686 5.574 5.394 1.00 34.31 H new ATOM 0 HG23 ILE A 52 3.222 5.775 3.687 1.00 34.31 H new ATOM 0 HD11 ILE A 52 2.259 1.705 2.264 1.00 65.23 H new ATOM 0 HD12 ILE A 52 2.895 1.460 3.908 1.00 65.23 H new ATOM 0 HD13 ILE A 52 1.737 2.773 3.587 1.00 65.23 H new ATOM 853 N ARG A 53 7.121 4.525 5.809 1.00 70.23 N ATOM 854 CA ARG A 53 7.870 5.139 6.929 1.00 50.22 C ATOM 855 C ARG A 53 9.155 5.858 6.436 1.00 64.23 C ATOM 856 O ARG A 53 9.639 6.795 7.077 1.00 52.02 O ATOM 857 CB ARG A 53 8.189 4.094 8.032 1.00 30.24 C ATOM 858 CG ARG A 53 8.703 4.721 9.355 1.00 75.45 C ATOM 859 CD ARG A 53 8.971 3.691 10.464 1.00 43.31 C ATOM 860 NE ARG A 53 9.997 2.703 10.077 1.00 73.23 N ATOM 861 CZ ARG A 53 11.230 2.607 10.595 1.00 44.14 C ATOM 862 NH1 ARG A 53 11.650 3.448 11.527 1.00 40.32 N ATOM 863 NH2 ARG A 53 12.037 1.651 10.174 1.00 2.53 N ATOM 0 H ARG A 53 7.256 3.518 5.723 1.00 70.23 H new ATOM 0 HA ARG A 53 7.228 5.900 7.372 1.00 50.22 H new ATOM 0 HB2 ARG A 53 7.291 3.513 8.241 1.00 30.24 H new ATOM 0 HB3 ARG A 53 8.938 3.398 7.655 1.00 30.24 H new ATOM 0 HG2 ARG A 53 9.622 5.271 9.153 1.00 75.45 H new ATOM 0 HG3 ARG A 53 7.970 5.444 9.713 1.00 75.45 H new ATOM 0 HD2 ARG A 53 9.292 4.209 11.368 1.00 43.31 H new ATOM 0 HD3 ARG A 53 8.044 3.172 10.706 1.00 43.31 H new ATOM 0 HE ARG A 53 9.745 2.033 9.350 1.00 73.23 H new ATOM 0 HH11 ARG A 53 11.032 4.186 11.864 1.00 40.32 H new ATOM 0 HH12 ARG A 53 12.592 3.358 11.908 1.00 40.32 H new ATOM 0 HH21 ARG A 53 11.721 0.994 9.461 1.00 2.53 H new ATOM 0 HH22 ARG A 53 12.977 1.569 10.562 1.00 2.53 H new ATOM 877 N ASP A 54 9.687 5.422 5.287 1.00 14.22 N ATOM 878 CA ASP A 54 10.876 6.041 4.650 1.00 23.30 C ATOM 879 C ASP A 54 10.451 7.248 3.784 1.00 70.35 C ATOM 880 O ASP A 54 11.186 8.232 3.640 1.00 31.14 O ATOM 881 CB ASP A 54 11.600 4.981 3.775 1.00 25.00 C ATOM 882 CG ASP A 54 12.987 5.429 3.289 1.00 21.32 C ATOM 883 OD1 ASP A 54 13.957 5.291 4.065 1.00 24.11 O ATOM 884 OD2 ASP A 54 13.119 5.913 2.144 1.00 24.11 O ATOM 0 H ASP A 54 9.311 4.630 4.766 1.00 14.22 H new ATOM 0 HA ASP A 54 11.556 6.396 5.424 1.00 23.30 H new ATOM 0 HB2 ASP A 54 11.705 4.060 4.348 1.00 25.00 H new ATOM 0 HB3 ASP A 54 10.978 4.750 2.910 1.00 25.00 H new ATOM 889 N GLU A 55 9.237 7.142 3.235 1.00 24.21 N ATOM 890 CA GLU A 55 8.664 8.095 2.281 1.00 65.12 C ATOM 891 C GLU A 55 7.983 9.250 3.031 1.00 24.41 C ATOM 892 O GLU A 55 8.372 10.408 2.895 1.00 21.41 O ATOM 893 CB GLU A 55 7.651 7.332 1.382 1.00 42.44 C ATOM 894 CG GLU A 55 6.954 8.156 0.288 1.00 53.54 C ATOM 895 CD GLU A 55 7.890 8.649 -0.829 1.00 73.53 C ATOM 896 OE1 GLU A 55 8.293 7.826 -1.676 1.00 10.03 O ATOM 897 OE2 GLU A 55 8.215 9.849 -0.868 1.00 31.13 O ATOM 0 H GLU A 55 8.608 6.368 3.449 1.00 24.21 H new ATOM 0 HA GLU A 55 9.446 8.528 1.657 1.00 65.12 H new ATOM 0 HB2 GLU A 55 8.174 6.503 0.905 1.00 42.44 H new ATOM 0 HB3 GLU A 55 6.884 6.898 2.024 1.00 42.44 H new ATOM 0 HG2 GLU A 55 6.164 7.552 -0.157 1.00 53.54 H new ATOM 0 HG3 GLU A 55 6.474 9.018 0.750 1.00 53.54 H new ATOM 904 N MET A 56 6.966 8.899 3.834 1.00 11.41 N ATOM 905 CA MET A 56 6.069 9.867 4.520 1.00 12.33 C ATOM 906 C MET A 56 6.243 9.838 6.053 1.00 62.41 C ATOM 907 O MET A 56 5.615 10.633 6.761 1.00 72.14 O ATOM 908 CB MET A 56 4.598 9.546 4.121 1.00 21.25 C ATOM 909 CG MET A 56 4.244 9.916 2.669 1.00 41.25 C ATOM 910 SD MET A 56 2.682 9.197 2.116 1.00 33.25 S ATOM 911 CE MET A 56 3.176 7.501 1.791 1.00 31.33 C ATOM 0 H MET A 56 6.734 7.926 4.033 1.00 11.41 H new ATOM 0 HA MET A 56 6.332 10.876 4.202 1.00 12.33 H new ATOM 0 HB2 MET A 56 4.418 8.481 4.267 1.00 21.25 H new ATOM 0 HB3 MET A 56 3.926 10.078 4.794 1.00 21.25 H new ATOM 0 HG2 MET A 56 4.190 11.001 2.580 1.00 41.25 H new ATOM 0 HG3 MET A 56 5.045 9.582 2.009 1.00 41.25 H new ATOM 0 HE1 MET A 56 3.195 7.327 0.715 1.00 31.33 H new ATOM 0 HE2 MET A 56 4.169 7.326 2.205 1.00 31.33 H new ATOM 0 HE3 MET A 56 2.464 6.819 2.256 1.00 31.33 H new ATOM 921 N GLY A 57 7.089 8.920 6.558 1.00 0.52 N ATOM 922 CA GLY A 57 7.321 8.787 8.004 1.00 53.02 C ATOM 923 C GLY A 57 6.175 8.078 8.727 1.00 10.45 C ATOM 924 O GLY A 57 5.997 8.250 9.935 1.00 23.44 O ATOM 0 H GLY A 57 7.620 8.263 5.986 1.00 0.52 H new ATOM 0 HA2 GLY A 57 8.246 8.234 8.169 1.00 53.02 H new ATOM 0 HA3 GLY A 57 7.460 9.777 8.437 1.00 53.02 H new ATOM 928 N VAL A 58 5.412 7.258 7.987 1.00 14.32 N ATOM 929 CA VAL A 58 4.213 6.566 8.507 1.00 61.34 C ATOM 930 C VAL A 58 4.462 5.047 8.608 1.00 23.22 C ATOM 931 O VAL A 58 4.695 4.383 7.596 1.00 61.13 O ATOM 932 CB VAL A 58 2.988 6.830 7.564 1.00 60.24 C ATOM 933 CG1 VAL A 58 1.708 6.135 8.075 1.00 10.32 C ATOM 934 CG2 VAL A 58 2.766 8.335 7.344 1.00 24.51 C ATOM 0 H VAL A 58 5.607 7.053 7.007 1.00 14.32 H new ATOM 0 HA VAL A 58 3.999 6.957 9.502 1.00 61.34 H new ATOM 0 HB VAL A 58 3.224 6.388 6.596 1.00 60.24 H new ATOM 0 HG11 VAL A 58 0.884 6.344 7.393 1.00 10.32 H new ATOM 0 HG12 VAL A 58 1.874 5.059 8.126 1.00 10.32 H new ATOM 0 HG13 VAL A 58 1.461 6.511 9.068 1.00 10.32 H new ATOM 0 HG21 VAL A 58 1.910 8.484 6.686 1.00 24.51 H new ATOM 0 HG22 VAL A 58 2.576 8.819 8.302 1.00 24.51 H new ATOM 0 HG23 VAL A 58 3.655 8.771 6.887 1.00 24.51 H new ATOM 944 N SER A 59 4.400 4.509 9.830 1.00 74.45 N ATOM 945 CA SER A 59 4.547 3.068 10.088 1.00 10.33 C ATOM 946 C SER A 59 3.167 2.393 10.181 1.00 2.12 C ATOM 947 O SER A 59 2.234 2.954 10.772 1.00 44.11 O ATOM 948 CB SER A 59 5.326 2.876 11.404 1.00 0.01 C ATOM 949 OG SER A 59 4.778 3.678 12.445 1.00 11.13 O ATOM 0 H SER A 59 4.246 5.061 10.674 1.00 74.45 H new ATOM 0 HA SER A 59 5.093 2.605 9.266 1.00 10.33 H new ATOM 0 HB2 SER A 59 5.299 1.826 11.697 1.00 0.01 H new ATOM 0 HB3 SER A 59 6.373 3.138 11.252 1.00 0.01 H new ATOM 0 HG SER A 59 5.288 3.537 13.270 1.00 11.13 H new ATOM 955 N ILE A 60 3.051 1.199 9.580 1.00 61.04 N ATOM 956 CA ILE A 60 1.881 0.328 9.747 1.00 64.11 C ATOM 957 C ILE A 60 2.131 -0.618 10.946 1.00 71.42 C ATOM 958 O ILE A 60 3.089 -1.400 10.909 1.00 32.10 O ATOM 959 CB ILE A 60 1.597 -0.533 8.466 1.00 52.52 C ATOM 960 CG1 ILE A 60 1.326 0.363 7.215 1.00 20.04 C ATOM 961 CG2 ILE A 60 0.408 -1.499 8.714 1.00 13.12 C ATOM 962 CD1 ILE A 60 -0.062 0.998 7.177 1.00 52.12 C ATOM 0 H ILE A 60 3.766 0.812 8.965 1.00 61.04 H new ATOM 0 HA ILE A 60 1.011 0.962 9.921 1.00 64.11 H new ATOM 0 HB ILE A 60 2.491 -1.122 8.259 1.00 52.52 H new ATOM 0 HG12 ILE A 60 2.074 1.155 7.182 1.00 20.04 H new ATOM 0 HG13 ILE A 60 1.460 -0.240 6.317 1.00 20.04 H new ATOM 0 HG21 ILE A 60 0.225 -2.088 7.816 1.00 13.12 H new ATOM 0 HG22 ILE A 60 0.647 -2.165 9.543 1.00 13.12 H new ATOM 0 HG23 ILE A 60 -0.484 -0.923 8.958 1.00 13.12 H new ATOM 0 HD11 ILE A 60 -0.161 1.602 6.275 1.00 52.12 H new ATOM 0 HD12 ILE A 60 -0.820 0.215 7.175 1.00 52.12 H new ATOM 0 HD13 ILE A 60 -0.197 1.631 8.054 1.00 52.12 H new ATOM 974 N PRO A 61 1.302 -0.535 12.034 1.00 42.33 N ATOM 975 CA PRO A 61 1.362 -1.491 13.163 1.00 62.41 C ATOM 976 C PRO A 61 0.769 -2.874 12.795 1.00 2.01 C ATOM 977 O PRO A 61 0.021 -3.002 11.817 1.00 12.51 O ATOM 978 CB PRO A 61 0.530 -0.785 14.259 1.00 52.31 C ATOM 979 CG PRO A 61 -0.452 0.051 13.506 1.00 34.14 C ATOM 980 CD PRO A 61 0.264 0.515 12.259 1.00 11.54 C ATOM 0 HA PRO A 61 2.383 -1.713 13.473 1.00 62.41 H new ATOM 0 HB2 PRO A 61 0.026 -1.507 14.901 1.00 52.31 H new ATOM 0 HB3 PRO A 61 1.161 -0.172 14.903 1.00 52.31 H new ATOM 0 HG2 PRO A 61 -1.342 -0.525 13.253 1.00 34.14 H new ATOM 0 HG3 PRO A 61 -0.782 0.900 14.105 1.00 34.14 H new ATOM 0 HD2 PRO A 61 -0.417 0.592 11.412 1.00 11.54 H new ATOM 0 HD3 PRO A 61 0.713 1.498 12.398 1.00 11.54 H new ATOM 988 N SER A 62 1.077 -3.885 13.621 1.00 11.55 N ATOM 989 CA SER A 62 0.679 -5.283 13.394 1.00 33.04 C ATOM 990 C SER A 62 -0.854 -5.491 13.541 1.00 63.21 C ATOM 991 O SER A 62 -1.416 -6.430 12.962 1.00 1.40 O ATOM 992 CB SER A 62 1.463 -6.196 14.355 1.00 73.31 C ATOM 993 OG SER A 62 1.325 -5.760 15.697 1.00 25.44 O ATOM 0 H SER A 62 1.616 -3.753 14.477 1.00 11.55 H new ATOM 0 HA SER A 62 0.923 -5.547 12.365 1.00 33.04 H new ATOM 0 HB2 SER A 62 1.103 -7.221 14.263 1.00 73.31 H new ATOM 0 HB3 SER A 62 2.517 -6.202 14.078 1.00 73.31 H new ATOM 0 HG SER A 62 1.830 -6.356 16.288 1.00 25.44 H new ATOM 999 N THR A 63 -1.517 -4.604 14.312 1.00 15.34 N ATOM 1000 CA THR A 63 -2.985 -4.608 14.469 1.00 52.04 C ATOM 1001 C THR A 63 -3.694 -4.055 13.210 1.00 63.14 C ATOM 1002 O THR A 63 -4.892 -4.276 13.016 1.00 33.44 O ATOM 1003 CB THR A 63 -3.425 -3.793 15.734 1.00 72.23 C ATOM 1004 OG1 THR A 63 -4.848 -3.871 15.900 1.00 33.24 O ATOM 1005 CG2 THR A 63 -2.994 -2.313 15.668 1.00 24.50 C ATOM 0 H THR A 63 -1.051 -3.867 14.841 1.00 15.34 H new ATOM 0 HA THR A 63 -3.287 -5.647 14.603 1.00 52.04 H new ATOM 0 HB THR A 63 -2.921 -4.242 16.590 1.00 72.23 H new ATOM 0 HG1 THR A 63 -5.113 -3.360 16.693 1.00 33.24 H new ATOM 0 HG21 THR A 63 -3.325 -1.797 16.569 1.00 24.50 H new ATOM 0 HG22 THR A 63 -1.908 -2.253 15.594 1.00 24.50 H new ATOM 0 HG23 THR A 63 -3.444 -1.842 14.794 1.00 24.50 H new ATOM 1013 N HIS A 64 -2.951 -3.309 12.368 1.00 42.42 N ATOM 1014 CA HIS A 64 -3.483 -2.748 11.105 1.00 1.14 C ATOM 1015 C HIS A 64 -3.008 -3.569 9.897 1.00 34.05 C ATOM 1016 O HIS A 64 -3.179 -3.139 8.748 1.00 13.12 O ATOM 1017 CB HIS A 64 -3.111 -1.247 10.978 1.00 25.21 C ATOM 1018 CG HIS A 64 -3.747 -0.350 12.023 1.00 10.15 C ATOM 1019 ND1 HIS A 64 -4.577 -0.808 13.030 1.00 51.32 N ATOM 1020 CD2 HIS A 64 -3.624 0.980 12.235 1.00 42.15 C ATOM 1021 CE1 HIS A 64 -4.923 0.198 13.811 1.00 61.33 C ATOM 1022 NE2 HIS A 64 -4.357 1.291 13.353 1.00 30.21 N ATOM 0 H HIS A 64 -1.972 -3.078 12.540 1.00 42.42 H new ATOM 0 HA HIS A 64 -4.571 -2.813 11.124 1.00 1.14 H new ATOM 0 HB2 HIS A 64 -2.028 -1.148 11.043 1.00 25.21 H new ATOM 0 HB3 HIS A 64 -3.404 -0.896 9.989 1.00 25.21 H new ATOM 0 HD2 HIS A 64 -3.053 1.672 11.634 1.00 42.15 H new ATOM 0 HE1 HIS A 64 -5.563 0.133 14.679 1.00 61.33 H new ATOM 0 HE2 HIS A 64 -4.448 2.221 13.762 1.00 30.21 H new ATOM 1031 N ILE A 65 -2.421 -4.764 10.155 1.00 12.24 N ATOM 1032 CA ILE A 65 -2.218 -5.762 9.094 1.00 4.50 C ATOM 1033 C ILE A 65 -3.526 -6.507 8.949 1.00 72.44 C ATOM 1034 O ILE A 65 -3.840 -7.406 9.745 1.00 32.02 O ATOM 1035 CB ILE A 65 -1.043 -6.795 9.350 1.00 2.12 C ATOM 1036 CG1 ILE A 65 0.185 -6.085 9.948 1.00 74.32 C ATOM 1037 CG2 ILE A 65 -0.644 -7.514 8.036 1.00 1.12 C ATOM 1038 CD1 ILE A 65 0.689 -4.928 9.125 1.00 24.21 C ATOM 0 H ILE A 65 -2.087 -5.050 11.075 1.00 12.24 H new ATOM 0 HA ILE A 65 -1.918 -5.228 8.192 1.00 4.50 H new ATOM 0 HB ILE A 65 -1.403 -7.539 10.061 1.00 2.12 H new ATOM 0 HG12 ILE A 65 -0.067 -5.725 10.945 1.00 74.32 H new ATOM 0 HG13 ILE A 65 0.990 -6.811 10.065 1.00 74.32 H new ATOM 0 HG21 ILE A 65 0.164 -8.218 8.237 1.00 1.12 H new ATOM 0 HG22 ILE A 65 -1.505 -8.053 7.640 1.00 1.12 H new ATOM 0 HG23 ILE A 65 -0.310 -6.777 7.305 1.00 1.12 H new ATOM 0 HD11 ILE A 65 1.555 -4.483 9.615 1.00 24.21 H new ATOM 0 HD12 ILE A 65 0.975 -5.283 8.135 1.00 24.21 H new ATOM 0 HD13 ILE A 65 -0.098 -4.180 9.029 1.00 24.21 H new ATOM 1050 N THR A 66 -4.334 -6.032 8.012 1.00 64.54 N ATOM 1051 CA THR A 66 -5.597 -6.648 7.649 1.00 64.10 C ATOM 1052 C THR A 66 -5.949 -6.286 6.203 1.00 12.01 C ATOM 1053 O THR A 66 -5.314 -5.394 5.605 1.00 13.45 O ATOM 1054 CB THR A 66 -6.747 -6.235 8.648 1.00 60.51 C ATOM 1055 OG1 THR A 66 -8.040 -6.675 8.184 1.00 65.42 O ATOM 1056 CG2 THR A 66 -6.784 -4.726 8.880 1.00 64.13 C ATOM 0 H THR A 66 -4.124 -5.191 7.474 1.00 64.54 H new ATOM 0 HA THR A 66 -5.493 -7.731 7.721 1.00 64.10 H new ATOM 0 HB THR A 66 -6.521 -6.731 9.592 1.00 60.51 H new ATOM 0 HG1 THR A 66 -8.728 -6.404 8.827 1.00 65.42 H new ATOM 0 HG21 THR A 66 -7.590 -4.484 9.573 1.00 64.13 H new ATOM 0 HG22 THR A 66 -5.833 -4.399 9.300 1.00 64.13 H new ATOM 0 HG23 THR A 66 -6.956 -4.216 7.932 1.00 64.13 H new ATOM 1064 N GLY A 67 -6.959 -6.984 5.664 1.00 60.23 N ATOM 1065 CA GLY A 67 -7.466 -6.734 4.331 1.00 24.12 C ATOM 1066 C GLY A 67 -7.882 -5.289 4.130 1.00 31.14 C ATOM 1067 O GLY A 67 -7.272 -4.595 3.334 1.00 52.55 O ATOM 0 H GLY A 67 -7.441 -7.739 6.153 1.00 60.23 H new ATOM 0 HA2 GLY A 67 -6.700 -6.994 3.600 1.00 24.12 H new ATOM 0 HA3 GLY A 67 -8.320 -7.384 4.143 1.00 24.12 H new ATOM 1071 N LYS A 68 -8.823 -4.815 4.970 1.00 15.34 N ATOM 1072 CA LYS A 68 -9.538 -3.523 4.775 1.00 12.01 C ATOM 1073 C LYS A 68 -8.611 -2.292 4.586 1.00 55.25 C ATOM 1074 O LYS A 68 -8.992 -1.347 3.893 1.00 3.31 O ATOM 1075 CB LYS A 68 -10.497 -3.281 5.962 1.00 23.23 C ATOM 1076 CG LYS A 68 -9.798 -3.159 7.334 1.00 32.12 C ATOM 1077 CD LYS A 68 -10.792 -3.071 8.506 1.00 5.01 C ATOM 1078 CE LYS A 68 -10.092 -2.965 9.872 1.00 74.14 C ATOM 1079 NZ LYS A 68 -11.041 -3.109 10.993 1.00 61.23 N ATOM 0 H LYS A 68 -9.115 -5.315 5.810 1.00 15.34 H new ATOM 0 HA LYS A 68 -10.088 -3.622 3.839 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -11.064 -2.369 5.775 1.00 23.23 H new ATOM 0 HB3 LYS A 68 -11.215 -4.100 6.006 1.00 23.23 H new ATOM 0 HG2 LYS A 68 -9.145 -4.019 7.481 1.00 32.12 H new ATOM 0 HG3 LYS A 68 -9.163 -2.273 7.335 1.00 32.12 H new ATOM 0 HD2 LYS A 68 -11.438 -2.204 8.365 1.00 5.01 H new ATOM 0 HD3 LYS A 68 -11.434 -3.952 8.499 1.00 5.01 H new ATOM 0 HE2 LYS A 68 -9.324 -3.735 9.946 1.00 74.14 H new ATOM 0 HE3 LYS A 68 -9.587 -2.002 9.946 1.00 74.14 H new ATOM 0 HZ1 LYS A 68 -10.528 -3.031 11.894 1.00 61.23 H new ATOM 0 HZ2 LYS A 68 -11.760 -2.359 10.938 1.00 61.23 H new ATOM 0 HZ3 LYS A 68 -11.505 -4.038 10.938 1.00 61.23 H new ATOM 1093 N TYR A 69 -7.407 -2.314 5.192 1.00 54.23 N ATOM 1094 CA TYR A 69 -6.471 -1.167 5.140 1.00 35.45 C ATOM 1095 C TYR A 69 -5.633 -1.174 3.869 1.00 11.44 C ATOM 1096 O TYR A 69 -5.475 -0.133 3.231 1.00 22.54 O ATOM 1097 CB TYR A 69 -5.569 -1.126 6.397 1.00 62.02 C ATOM 1098 CG TYR A 69 -6.328 -0.673 7.655 1.00 62.10 C ATOM 1099 CD1 TYR A 69 -7.157 0.454 7.620 1.00 61.03 C ATOM 1100 CD2 TYR A 69 -6.250 -1.369 8.854 1.00 62.32 C ATOM 1101 CE1 TYR A 69 -7.859 0.860 8.719 1.00 0.30 C ATOM 1102 CE2 TYR A 69 -6.964 -0.965 9.959 1.00 1.15 C ATOM 1103 CZ TYR A 69 -7.767 0.147 9.885 1.00 73.35 C ATOM 1104 OH TYR A 69 -8.489 0.545 10.978 1.00 64.42 O ATOM 0 H TYR A 69 -7.058 -3.112 5.723 1.00 54.23 H new ATOM 0 HA TYR A 69 -7.075 -0.260 5.125 1.00 35.45 H new ATOM 0 HB2 TYR A 69 -5.147 -2.116 6.569 1.00 62.02 H new ATOM 0 HB3 TYR A 69 -4.733 -0.449 6.218 1.00 62.02 H new ATOM 0 HD1 TYR A 69 -7.244 1.016 6.702 1.00 61.03 H new ATOM 0 HD2 TYR A 69 -5.618 -2.242 8.921 1.00 62.32 H new ATOM 0 HE1 TYR A 69 -8.484 1.739 8.669 1.00 0.30 H new ATOM 0 HE2 TYR A 69 -6.893 -1.521 10.882 1.00 1.15 H new ATOM 0 HH TYR A 69 -8.315 -0.065 11.725 1.00 64.42 H new ATOM 1114 N PHE A 70 -5.130 -2.357 3.498 1.00 53.14 N ATOM 1115 CA PHE A 70 -4.277 -2.540 2.298 1.00 1.12 C ATOM 1116 C PHE A 70 -5.114 -2.945 1.073 1.00 42.25 C ATOM 1117 O PHE A 70 -4.565 -3.145 -0.022 1.00 34.35 O ATOM 1118 CB PHE A 70 -3.179 -3.596 2.569 1.00 21.10 C ATOM 1119 CG PHE A 70 -2.034 -3.115 3.457 1.00 34.33 C ATOM 1120 CD1 PHE A 70 -2.125 -3.174 4.847 1.00 74.34 C ATOM 1121 CD2 PHE A 70 -0.852 -2.623 2.889 1.00 1.21 C ATOM 1122 CE1 PHE A 70 -1.077 -2.756 5.636 1.00 54.11 C ATOM 1123 CE2 PHE A 70 0.198 -2.207 3.681 1.00 40.41 C ATOM 1124 CZ PHE A 70 0.086 -2.275 5.054 1.00 21.43 C ATOM 0 H PHE A 70 -5.298 -3.220 4.015 1.00 53.14 H new ATOM 0 HA PHE A 70 -3.801 -1.584 2.080 1.00 1.12 H new ATOM 0 HB2 PHE A 70 -3.640 -4.468 3.034 1.00 21.10 H new ATOM 0 HB3 PHE A 70 -2.767 -3.924 1.615 1.00 21.10 H new ATOM 0 HD1 PHE A 70 -3.026 -3.551 5.309 1.00 74.34 H new ATOM 0 HD2 PHE A 70 -0.761 -2.568 1.814 1.00 1.21 H new ATOM 0 HE1 PHE A 70 -1.161 -2.803 6.712 1.00 54.11 H new ATOM 0 HE2 PHE A 70 1.103 -1.830 3.228 1.00 40.41 H new ATOM 0 HZ PHE A 70 0.907 -1.953 5.678 1.00 21.43 H new ATOM 1134 N LYS A 71 -6.435 -3.044 1.300 1.00 5.32 N ATOM 1135 CA LYS A 71 -7.435 -3.639 0.406 1.00 61.00 C ATOM 1136 C LYS A 71 -7.291 -3.164 -1.030 1.00 70.12 C ATOM 1137 O LYS A 71 -7.196 -3.953 -1.962 1.00 51.44 O ATOM 1138 CB LYS A 71 -8.838 -3.270 0.969 1.00 60.21 C ATOM 1139 CG LYS A 71 -9.955 -4.225 0.573 1.00 74.14 C ATOM 1140 CD LYS A 71 -11.308 -3.874 1.256 1.00 15.32 C ATOM 1141 CE LYS A 71 -11.781 -2.440 0.952 1.00 61.42 C ATOM 1142 NZ LYS A 71 -12.004 -2.220 -0.498 1.00 35.51 N ATOM 0 H LYS A 71 -6.854 -2.691 2.160 1.00 5.32 H new ATOM 0 HA LYS A 71 -7.293 -4.719 0.377 1.00 61.00 H new ATOM 0 HB2 LYS A 71 -8.779 -3.233 2.057 1.00 60.21 H new ATOM 0 HB3 LYS A 71 -9.098 -2.268 0.629 1.00 60.21 H new ATOM 0 HG2 LYS A 71 -10.081 -4.203 -0.509 1.00 74.14 H new ATOM 0 HG3 LYS A 71 -9.670 -5.243 0.840 1.00 74.14 H new ATOM 0 HD2 LYS A 71 -12.070 -4.580 0.925 1.00 15.32 H new ATOM 0 HD3 LYS A 71 -11.207 -3.997 2.334 1.00 15.32 H new ATOM 0 HE2 LYS A 71 -12.705 -2.241 1.494 1.00 61.42 H new ATOM 0 HE3 LYS A 71 -11.039 -1.729 1.316 1.00 61.42 H new ATOM 0 HZ1 LYS A 71 -12.354 -1.253 -0.653 1.00 35.51 H new ATOM 0 HZ2 LYS A 71 -11.109 -2.351 -1.011 1.00 35.51 H new ATOM 0 HZ3 LYS A 71 -12.706 -2.902 -0.849 1.00 35.51 H new ATOM 1156 N ASP A 72 -7.229 -1.850 -1.161 1.00 33.22 N ATOM 1157 CA ASP A 72 -7.187 -1.137 -2.438 1.00 33.12 C ATOM 1158 C ASP A 72 -6.085 -0.085 -2.353 1.00 4.24 C ATOM 1159 O ASP A 72 -5.392 0.028 -1.336 1.00 32.40 O ATOM 1160 CB ASP A 72 -8.556 -0.427 -2.709 1.00 53.13 C ATOM 1161 CG ASP A 72 -9.768 -1.323 -3.044 1.00 30.50 C ATOM 1162 OD1 ASP A 72 -9.876 -2.453 -2.530 1.00 41.13 O ATOM 1163 OD2 ASP A 72 -10.653 -0.861 -3.787 1.00 72.10 O ATOM 0 H ASP A 72 -7.205 -1.223 -0.357 1.00 33.22 H new ATOM 0 HA ASP A 72 -6.993 -1.840 -3.248 1.00 33.12 H new ATOM 0 HB2 ASP A 72 -8.808 0.165 -1.829 1.00 53.13 H new ATOM 0 HB3 ASP A 72 -8.416 0.272 -3.534 1.00 53.13 H new ATOM 1168 N LEU A 73 -5.936 0.693 -3.426 1.00 3.43 N ATOM 1169 CA LEU A 73 -5.107 1.898 -3.390 1.00 41.02 C ATOM 1170 C LEU A 73 -5.875 3.022 -2.687 1.00 41.22 C ATOM 1171 O LEU A 73 -5.303 3.748 -1.876 1.00 51.23 O ATOM 1172 CB LEU A 73 -4.676 2.331 -4.804 1.00 4.34 C ATOM 1173 CG LEU A 73 -3.792 3.613 -4.856 1.00 71.44 C ATOM 1174 CD1 LEU A 73 -2.536 3.447 -3.958 1.00 1.12 C ATOM 1175 CD2 LEU A 73 -3.426 3.988 -6.315 1.00 40.11 C ATOM 0 H LEU A 73 -6.377 0.511 -4.328 1.00 3.43 H new ATOM 0 HA LEU A 73 -4.197 1.677 -2.832 1.00 41.02 H new ATOM 0 HB2 LEU A 73 -4.129 1.511 -5.268 1.00 4.34 H new ATOM 0 HB3 LEU A 73 -5.570 2.499 -5.405 1.00 4.34 H new ATOM 0 HG LEU A 73 -4.370 4.446 -4.457 1.00 71.44 H new ATOM 0 HD11 LEU A 73 -1.931 4.352 -4.007 1.00 1.12 H new ATOM 0 HD12 LEU A 73 -2.846 3.273 -2.927 1.00 1.12 H new ATOM 0 HD13 LEU A 73 -1.948 2.598 -4.308 1.00 1.12 H new ATOM 0 HD21 LEU A 73 -2.809 4.887 -6.316 1.00 40.11 H new ATOM 0 HD22 LEU A 73 -2.873 3.168 -6.774 1.00 40.11 H new ATOM 0 HD23 LEU A 73 -4.338 4.173 -6.883 1.00 40.11 H new ATOM 1187 N ASN A 74 -7.177 3.130 -3.005 1.00 74.52 N ATOM 1188 CA ASN A 74 -8.086 4.112 -2.376 1.00 53.13 C ATOM 1189 C ASN A 74 -8.274 3.821 -0.882 1.00 14.31 C ATOM 1190 O ASN A 74 -8.496 4.741 -0.084 1.00 2.33 O ATOM 1191 CB ASN A 74 -9.453 4.152 -3.107 1.00 11.23 C ATOM 1192 CG ASN A 74 -10.173 2.807 -3.168 1.00 45.42 C ATOM 1193 OD1 ASN A 74 -9.966 2.075 -4.249 1.00 34.10 O flip ATOM 1194 ND2 ASN A 74 -10.929 2.447 -2.267 1.00 2.32 N flip ATOM 0 H ASN A 74 -7.631 2.541 -3.704 1.00 74.52 H new ATOM 0 HA ASN A 74 -7.624 5.095 -2.468 1.00 53.13 H new ATOM 0 HB2 ASN A 74 -10.098 4.874 -2.606 1.00 11.23 H new ATOM 0 HB3 ASN A 74 -9.298 4.514 -4.123 1.00 11.23 H new ATOM 0 HD21 ASN A 74 -11.064 3.039 -1.447 1.00 2.32 H new ATOM 0 HD22 ASN A 74 -11.421 1.557 -2.340 1.00 2.32 H new ATOM 1201 N ALA A 75 -8.178 2.536 -0.520 1.00 3.13 N ATOM 1202 CA ALA A 75 -8.222 2.089 0.877 1.00 33.11 C ATOM 1203 C ALA A 75 -6.997 2.602 1.652 1.00 34.01 C ATOM 1204 O ALA A 75 -7.139 3.189 2.725 1.00 42.03 O ATOM 1205 CB ALA A 75 -8.313 0.564 0.945 1.00 74.01 C ATOM 0 H ALA A 75 -8.067 1.775 -1.190 1.00 3.13 H new ATOM 0 HA ALA A 75 -9.113 2.506 1.346 1.00 33.11 H new ATOM 0 HB1 ALA A 75 -8.345 0.248 1.988 1.00 74.01 H new ATOM 0 HB2 ALA A 75 -9.218 0.230 0.437 1.00 74.01 H new ATOM 0 HB3 ALA A 75 -7.441 0.125 0.459 1.00 74.01 H new ATOM 1211 N ILE A 76 -5.799 2.390 1.070 1.00 41.03 N ATOM 1212 CA ILE A 76 -4.513 2.869 1.632 1.00 42.33 C ATOM 1213 C ILE A 76 -4.441 4.389 1.603 1.00 20.32 C ATOM 1214 O ILE A 76 -3.826 4.982 2.468 1.00 74.44 O ATOM 1215 CB ILE A 76 -3.280 2.237 0.873 1.00 14.15 C ATOM 1216 CG1 ILE A 76 -3.282 0.702 1.105 1.00 64.11 C ATOM 1217 CG2 ILE A 76 -1.918 2.865 1.309 1.00 11.41 C ATOM 1218 CD1 ILE A 76 -2.220 -0.083 0.388 1.00 11.34 C ATOM 0 H ILE A 76 -5.693 1.880 0.193 1.00 41.03 H new ATOM 0 HA ILE A 76 -4.466 2.543 2.671 1.00 42.33 H new ATOM 0 HB ILE A 76 -3.386 2.455 -0.190 1.00 14.15 H new ATOM 0 HG12 ILE A 76 -3.180 0.518 2.174 1.00 64.11 H new ATOM 0 HG13 ILE A 76 -4.255 0.312 0.806 1.00 64.11 H new ATOM 0 HG21 ILE A 76 -1.106 2.393 0.756 1.00 11.41 H new ATOM 0 HG22 ILE A 76 -1.927 3.935 1.099 1.00 11.41 H new ATOM 0 HG23 ILE A 76 -1.769 2.706 2.377 1.00 11.41 H new ATOM 0 HD11 ILE A 76 -2.324 -1.141 0.629 1.00 11.34 H new ATOM 0 HD12 ILE A 76 -2.328 0.057 -0.688 1.00 11.34 H new ATOM 0 HD13 ILE A 76 -1.236 0.265 0.702 1.00 11.34 H new ATOM 1230 N SER A 77 -5.107 5.013 0.625 1.00 51.13 N ATOM 1231 CA SER A 77 -5.147 6.472 0.503 1.00 35.11 C ATOM 1232 C SER A 77 -5.881 7.086 1.715 1.00 61.13 C ATOM 1233 O SER A 77 -5.489 8.142 2.206 1.00 14.33 O ATOM 1234 CB SER A 77 -5.813 6.867 -0.831 1.00 74.14 C ATOM 1235 OG SER A 77 -5.775 8.259 -1.037 1.00 20.14 O ATOM 0 H SER A 77 -5.631 4.523 -0.100 1.00 51.13 H new ATOM 0 HA SER A 77 -4.131 6.867 0.499 1.00 35.11 H new ATOM 0 HB2 SER A 77 -5.307 6.363 -1.654 1.00 74.14 H new ATOM 0 HB3 SER A 77 -6.848 6.526 -0.837 1.00 74.14 H new ATOM 0 HG SER A 77 -6.204 8.475 -1.891 1.00 20.14 H new ATOM 1241 N ARG A 78 -6.912 6.377 2.211 1.00 22.14 N ATOM 1242 CA ARG A 78 -7.647 6.778 3.428 1.00 53.52 C ATOM 1243 C ARG A 78 -6.845 6.411 4.688 1.00 1.22 C ATOM 1244 O ARG A 78 -6.785 7.193 5.646 1.00 74.25 O ATOM 1245 CB ARG A 78 -9.044 6.107 3.480 1.00 14.40 C ATOM 1246 CG ARG A 78 -9.990 6.488 2.319 1.00 31.01 C ATOM 1247 CD ARG A 78 -10.288 7.997 2.269 1.00 10.04 C ATOM 1248 NE ARG A 78 -11.153 8.350 1.133 1.00 54.42 N ATOM 1249 CZ ARG A 78 -11.742 9.532 0.935 1.00 63.53 C ATOM 1250 NH1 ARG A 78 -11.596 10.525 1.800 1.00 34.43 N ATOM 1251 NH2 ARG A 78 -12.470 9.706 -0.158 1.00 52.00 N ATOM 0 H ARG A 78 -7.258 5.517 1.785 1.00 22.14 H new ATOM 0 HA ARG A 78 -7.782 7.859 3.395 1.00 53.52 H new ATOM 0 HB2 ARG A 78 -8.912 5.025 3.482 1.00 14.40 H new ATOM 0 HB3 ARG A 78 -9.524 6.371 4.422 1.00 14.40 H new ATOM 0 HG2 ARG A 78 -9.543 6.178 1.374 1.00 31.01 H new ATOM 0 HG3 ARG A 78 -10.926 5.940 2.423 1.00 31.01 H new ATOM 0 HD2 ARG A 78 -10.768 8.303 3.199 1.00 10.04 H new ATOM 0 HD3 ARG A 78 -9.351 8.549 2.197 1.00 10.04 H new ATOM 0 HE ARG A 78 -11.318 7.627 0.433 1.00 54.42 H new ATOM 0 HH11 ARG A 78 -11.025 10.394 2.635 1.00 34.43 H new ATOM 0 HH12 ARG A 78 -12.054 11.420 1.631 1.00 34.43 H new ATOM 0 HH21 ARG A 78 -12.572 8.945 -0.829 1.00 52.00 H new ATOM 0 HH22 ARG A 78 -12.928 10.601 -0.328 1.00 52.00 H new ATOM 1265 N THR A 79 -6.235 5.214 4.664 1.00 0.13 N ATOM 1266 CA THR A 79 -5.498 4.651 5.807 1.00 42.44 C ATOM 1267 C THR A 79 -4.277 5.512 6.159 1.00 62.42 C ATOM 1268 O THR A 79 -4.121 5.935 7.295 1.00 44.40 O ATOM 1269 CB THR A 79 -5.053 3.180 5.516 1.00 12.41 C ATOM 1270 OG1 THR A 79 -6.211 2.390 5.195 1.00 15.24 O ATOM 1271 CG2 THR A 79 -4.311 2.538 6.710 1.00 35.24 C ATOM 0 H THR A 79 -6.240 4.606 3.845 1.00 0.13 H new ATOM 0 HA THR A 79 -6.174 4.648 6.662 1.00 42.44 H new ATOM 0 HB THR A 79 -4.358 3.208 4.677 1.00 12.41 H new ATOM 0 HG1 THR A 79 -6.587 2.692 4.342 1.00 15.24 H new ATOM 0 HG21 THR A 79 -4.025 1.518 6.454 1.00 35.24 H new ATOM 0 HG22 THR A 79 -3.418 3.119 6.938 1.00 35.24 H new ATOM 0 HG23 THR A 79 -4.967 2.524 7.581 1.00 35.24 H new ATOM 1279 N VAL A 80 -3.457 5.807 5.152 1.00 25.11 N ATOM 1280 CA VAL A 80 -2.207 6.568 5.309 1.00 22.10 C ATOM 1281 C VAL A 80 -2.502 7.993 5.832 1.00 73.50 C ATOM 1282 O VAL A 80 -1.714 8.560 6.583 1.00 51.34 O ATOM 1283 CB VAL A 80 -1.398 6.614 3.949 1.00 53.33 C ATOM 1284 CG1 VAL A 80 -2.054 7.546 2.895 1.00 14.24 C ATOM 1285 CG2 VAL A 80 0.081 6.980 4.177 1.00 21.10 C ATOM 0 H VAL A 80 -3.639 5.523 4.189 1.00 25.11 H new ATOM 0 HA VAL A 80 -1.586 6.059 6.046 1.00 22.10 H new ATOM 0 HB VAL A 80 -1.431 5.604 3.539 1.00 53.33 H new ATOM 0 HG11 VAL A 80 -1.458 7.540 1.982 1.00 14.24 H new ATOM 0 HG12 VAL A 80 -3.061 7.192 2.673 1.00 14.24 H new ATOM 0 HG13 VAL A 80 -2.104 8.561 3.288 1.00 14.24 H new ATOM 0 HG21 VAL A 80 0.602 7.001 3.220 1.00 21.10 H new ATOM 0 HG22 VAL A 80 0.145 7.962 4.647 1.00 21.10 H new ATOM 0 HG23 VAL A 80 0.544 6.237 4.826 1.00 21.10 H new ATOM 1295 N GLU A 81 -3.677 8.529 5.442 1.00 45.33 N ATOM 1296 CA GLU A 81 -4.188 9.823 5.915 1.00 72.24 C ATOM 1297 C GLU A 81 -4.437 9.792 7.422 1.00 70.21 C ATOM 1298 O GLU A 81 -3.863 10.606 8.163 1.00 23.44 O ATOM 1299 CB GLU A 81 -5.487 10.191 5.147 1.00 11.14 C ATOM 1300 CG GLU A 81 -5.264 10.827 3.764 1.00 24.32 C ATOM 1301 CD GLU A 81 -4.752 12.270 3.856 1.00 64.32 C ATOM 1302 OE1 GLU A 81 -5.584 13.180 4.085 1.00 71.12 O ATOM 1303 OE2 GLU A 81 -3.540 12.507 3.720 1.00 24.24 O ATOM 0 H GLU A 81 -4.302 8.066 4.782 1.00 45.33 H new ATOM 0 HA GLU A 81 -3.437 10.588 5.719 1.00 72.24 H new ATOM 0 HB2 GLU A 81 -6.087 9.289 5.024 1.00 11.14 H new ATOM 0 HB3 GLU A 81 -6.070 10.880 5.758 1.00 11.14 H new ATOM 0 HG2 GLU A 81 -4.548 10.226 3.203 1.00 24.32 H new ATOM 0 HG3 GLU A 81 -6.200 10.812 3.206 1.00 24.32 H new ATOM 1310 N GLN A 82 -5.260 8.827 7.871 1.00 61.23 N ATOM 1311 CA GLN A 82 -5.681 8.748 9.282 1.00 61.53 C ATOM 1312 C GLN A 82 -4.484 8.463 10.187 1.00 73.20 C ATOM 1313 O GLN A 82 -4.405 8.998 11.277 1.00 24.15 O ATOM 1314 CB GLN A 82 -6.800 7.696 9.497 1.00 0.25 C ATOM 1315 CG GLN A 82 -6.336 6.229 9.405 1.00 72.10 C ATOM 1316 CD GLN A 82 -7.435 5.210 9.629 1.00 74.20 C ATOM 1317 OE1 GLN A 82 -8.601 5.453 9.324 1.00 73.15 O ATOM 1318 NE2 GLN A 82 -7.064 4.061 10.152 1.00 52.01 N ATOM 0 H GLN A 82 -5.646 8.092 7.278 1.00 61.23 H new ATOM 0 HA GLN A 82 -6.097 9.719 9.552 1.00 61.53 H new ATOM 0 HB2 GLN A 82 -7.249 7.859 10.477 1.00 0.25 H new ATOM 0 HB3 GLN A 82 -7.582 7.862 8.756 1.00 0.25 H new ATOM 0 HG2 GLN A 82 -5.896 6.061 8.422 1.00 72.10 H new ATOM 0 HG3 GLN A 82 -5.548 6.063 10.140 1.00 72.10 H new ATOM 0 HE21 GLN A 82 -6.085 3.902 10.390 1.00 52.01 H new ATOM 0 HE22 GLN A 82 -7.755 3.330 10.319 1.00 52.01 H new ATOM 1327 N LEU A 83 -3.531 7.656 9.682 1.00 41.30 N ATOM 1328 CA LEU A 83 -2.335 7.259 10.440 1.00 45.40 C ATOM 1329 C LEU A 83 -1.453 8.466 10.744 1.00 72.14 C ATOM 1330 O LEU A 83 -0.868 8.526 11.811 1.00 10.13 O ATOM 1331 CB LEU A 83 -1.532 6.193 9.677 1.00 13.31 C ATOM 1332 CG LEU A 83 -2.242 4.830 9.470 1.00 52.13 C ATOM 1333 CD1 LEU A 83 -1.405 3.920 8.565 1.00 35.43 C ATOM 1334 CD2 LEU A 83 -2.563 4.147 10.819 1.00 11.43 C ATOM 0 H LEU A 83 -3.571 7.264 8.741 1.00 41.30 H new ATOM 0 HA LEU A 83 -2.669 6.831 11.385 1.00 45.40 H new ATOM 0 HB2 LEU A 83 -1.268 6.596 8.699 1.00 13.31 H new ATOM 0 HB3 LEU A 83 -0.599 6.017 10.212 1.00 13.31 H new ATOM 0 HG LEU A 83 -3.194 5.017 8.973 1.00 52.13 H new ATOM 0 HD11 LEU A 83 -1.919 2.968 8.431 1.00 35.43 H new ATOM 0 HD12 LEU A 83 -1.268 4.398 7.595 1.00 35.43 H new ATOM 0 HD13 LEU A 83 -0.432 3.746 9.024 1.00 35.43 H new ATOM 0 HD21 LEU A 83 -3.060 3.195 10.635 1.00 11.43 H new ATOM 0 HD22 LEU A 83 -1.638 3.973 11.368 1.00 11.43 H new ATOM 0 HD23 LEU A 83 -3.218 4.791 11.406 1.00 11.43 H new ATOM 1346 N LYS A 84 -1.372 9.428 9.805 1.00 52.23 N ATOM 1347 CA LYS A 84 -0.634 10.692 10.031 1.00 20.52 C ATOM 1348 C LYS A 84 -1.338 11.532 11.106 1.00 22.24 C ATOM 1349 O LYS A 84 -0.685 12.179 11.929 1.00 64.23 O ATOM 1350 CB LYS A 84 -0.479 11.497 8.713 1.00 15.52 C ATOM 1351 CG LYS A 84 0.359 10.785 7.646 1.00 54.30 C ATOM 1352 CD LYS A 84 0.550 11.583 6.326 1.00 63.25 C ATOM 1353 CE LYS A 84 -0.727 11.675 5.462 1.00 50.43 C ATOM 1354 NZ LYS A 84 -1.743 12.597 6.032 1.00 22.42 N ATOM 0 H LYS A 84 -1.806 9.357 8.885 1.00 52.23 H new ATOM 0 HA LYS A 84 0.367 10.444 10.383 1.00 20.52 H new ATOM 0 HB2 LYS A 84 -1.469 11.703 8.306 1.00 15.52 H new ATOM 0 HB3 LYS A 84 -0.020 12.460 8.939 1.00 15.52 H new ATOM 0 HG2 LYS A 84 1.341 10.562 8.064 1.00 54.30 H new ATOM 0 HG3 LYS A 84 -0.112 9.830 7.412 1.00 54.30 H new ATOM 0 HD2 LYS A 84 0.887 12.591 6.567 1.00 63.25 H new ATOM 0 HD3 LYS A 84 1.341 11.114 5.740 1.00 63.25 H new ATOM 0 HE2 LYS A 84 -0.459 12.011 4.460 1.00 50.43 H new ATOM 0 HE3 LYS A 84 -1.162 10.681 5.358 1.00 50.43 H new ATOM 0 HZ1 LYS A 84 -2.278 13.043 5.260 1.00 22.42 H new ATOM 0 HZ2 LYS A 84 -2.394 12.062 6.641 1.00 22.42 H new ATOM 0 HZ3 LYS A 84 -1.268 13.332 6.594 1.00 22.42 H new ATOM 1368 N ALA A 85 -2.675 11.474 11.105 1.00 2.40 N ATOM 1369 CA ALA A 85 -3.517 12.171 12.083 1.00 64.41 C ATOM 1370 C ALA A 85 -3.378 11.542 13.494 1.00 3.01 C ATOM 1371 O ALA A 85 -3.353 12.259 14.499 1.00 43.33 O ATOM 1372 CB ALA A 85 -4.982 12.154 11.605 1.00 51.52 C ATOM 0 H ALA A 85 -3.207 10.937 10.420 1.00 2.40 H new ATOM 0 HA ALA A 85 -3.184 13.206 12.161 1.00 64.41 H new ATOM 0 HB1 ALA A 85 -5.608 12.672 12.332 1.00 51.52 H new ATOM 0 HB2 ALA A 85 -5.056 12.655 10.640 1.00 51.52 H new ATOM 0 HB3 ALA A 85 -5.320 11.123 11.505 1.00 51.52 H new ATOM 1378 N GLU A 86 -3.263 10.198 13.543 1.00 34.32 N ATOM 1379 CA GLU A 86 -3.245 9.412 14.800 1.00 61.22 C ATOM 1380 C GLU A 86 -1.826 9.332 15.401 1.00 62.33 C ATOM 1381 O GLU A 86 -1.665 9.334 16.626 1.00 62.34 O ATOM 1382 CB GLU A 86 -3.808 7.981 14.535 1.00 45.35 C ATOM 1383 CG GLU A 86 -5.276 7.960 14.039 1.00 21.03 C ATOM 1384 CD GLU A 86 -5.774 6.573 13.584 1.00 61.34 C ATOM 1385 OE1 GLU A 86 -5.167 5.989 12.657 1.00 75.25 O ATOM 1386 OE2 GLU A 86 -6.770 6.062 14.144 1.00 40.11 O ATOM 0 H GLU A 86 -3.179 9.621 12.706 1.00 34.32 H new ATOM 0 HA GLU A 86 -3.878 9.920 15.527 1.00 61.22 H new ATOM 0 HB2 GLU A 86 -3.179 7.486 13.795 1.00 45.35 H new ATOM 0 HB3 GLU A 86 -3.738 7.399 15.454 1.00 45.35 H new ATOM 0 HG2 GLU A 86 -5.922 8.320 14.839 1.00 21.03 H new ATOM 0 HG3 GLU A 86 -5.376 8.659 13.209 1.00 21.03 H new ATOM 1393 N SER A 87 -0.810 9.271 14.528 1.00 2.13 N ATOM 1394 CA SER A 87 0.598 9.066 14.931 1.00 65.51 C ATOM 1395 C SER A 87 1.232 10.395 15.356 1.00 31.22 C ATOM 1396 O SER A 87 1.907 10.463 16.392 1.00 4.01 O ATOM 1397 CB SER A 87 1.408 8.426 13.777 1.00 22.51 C ATOM 1398 OG SER A 87 2.750 8.161 14.153 1.00 22.22 O ATOM 0 H SER A 87 -0.937 9.362 13.520 1.00 2.13 H new ATOM 0 HA SER A 87 0.616 8.385 15.782 1.00 65.51 H new ATOM 0 HB2 SER A 87 0.928 7.497 13.469 1.00 22.51 H new ATOM 0 HB3 SER A 87 1.398 9.092 12.914 1.00 22.51 H new ATOM 0 HG SER A 87 3.227 7.756 13.399 1.00 22.22 H new ATOM 1404 N ALA A 88 1.019 11.447 14.545 1.00 14.12 N ATOM 1405 CA ALA A 88 1.543 12.791 14.834 1.00 4.11 C ATOM 1406 C ALA A 88 0.696 13.478 15.912 1.00 24.33 C ATOM 1407 O ALA A 88 -0.429 13.056 16.205 1.00 12.02 O ATOM 1408 CB ALA A 88 1.602 13.636 13.553 1.00 4.25 C ATOM 0 H ALA A 88 0.484 11.389 13.679 1.00 14.12 H new ATOM 0 HA ALA A 88 2.559 12.692 15.216 1.00 4.11 H new ATOM 0 HB1 ALA A 88 1.992 14.626 13.788 1.00 4.25 H new ATOM 0 HB2 ALA A 88 2.255 13.151 12.827 1.00 4.25 H new ATOM 0 HB3 ALA A 88 0.601 13.731 13.133 1.00 4.25 H new ATOM 1414 N LEU A 89 1.255 14.546 16.485 1.00 73.40 N ATOM 1415 CA LEU A 89 0.584 15.362 17.525 1.00 72.40 C ATOM 1416 C LEU A 89 -0.407 16.389 16.910 1.00 2.12 C ATOM 1417 O LEU A 89 -1.000 17.199 17.636 1.00 51.41 O ATOM 1418 CB LEU A 89 1.633 16.116 18.396 1.00 42.50 C ATOM 1419 CG LEU A 89 2.396 17.330 17.740 1.00 44.32 C ATOM 1420 CD1 LEU A 89 3.176 18.116 18.806 1.00 44.43 C ATOM 1421 CD2 LEU A 89 3.343 16.891 16.594 1.00 5.30 C ATOM 0 H LEU A 89 2.189 14.879 16.247 1.00 73.40 H new ATOM 0 HA LEU A 89 0.017 14.672 18.150 1.00 72.40 H new ATOM 0 HB2 LEU A 89 1.126 16.482 19.289 1.00 42.50 H new ATOM 0 HB3 LEU A 89 2.377 15.391 18.726 1.00 42.50 H new ATOM 0 HG LEU A 89 1.638 17.977 17.298 1.00 44.32 H new ATOM 0 HD11 LEU A 89 3.696 18.950 18.335 1.00 44.43 H new ATOM 0 HD12 LEU A 89 2.483 18.498 19.556 1.00 44.43 H new ATOM 0 HD13 LEU A 89 3.902 17.459 19.284 1.00 44.43 H new ATOM 0 HD21 LEU A 89 3.842 17.767 16.179 1.00 5.30 H new ATOM 0 HD22 LEU A 89 4.089 16.199 16.984 1.00 5.30 H new ATOM 0 HD23 LEU A 89 2.764 16.399 15.812 1.00 5.30 H new ATOM 1433 N GLU A 90 -0.547 16.337 15.568 1.00 1.43 N ATOM 1434 CA GLU A 90 -1.353 17.237 14.760 1.00 42.41 C ATOM 1435 C GLU A 90 -2.831 17.275 15.233 1.00 53.40 C ATOM 1436 O GLU A 90 -3.318 18.347 15.647 1.00 73.33 O ATOM 1437 CB GLU A 90 -1.241 16.735 13.294 1.00 34.43 C ATOM 1438 CG GLU A 90 -1.799 17.682 12.245 1.00 30.35 C ATOM 1439 CD GLU A 90 -1.073 19.038 12.209 1.00 13.23 C ATOM 1440 OE1 GLU A 90 0.095 19.083 11.771 1.00 73.34 O ATOM 1441 OE2 GLU A 90 -1.654 20.058 12.631 1.00 34.54 O ATOM 1442 OXT GLU A 90 -3.483 16.212 15.225 1.00 37.62 O ATOM 0 H GLU A 90 -0.074 15.629 15.006 1.00 1.43 H new ATOM 0 HA GLU A 90 -0.990 18.261 14.853 1.00 42.41 H new ATOM 0 HB2 GLU A 90 -0.191 16.547 13.070 1.00 34.43 H new ATOM 0 HB3 GLU A 90 -1.760 15.780 13.212 1.00 34.43 H new ATOM 0 HG2 GLU A 90 -1.727 17.212 11.264 1.00 30.35 H new ATOM 0 HG3 GLU A 90 -2.858 17.849 12.441 1.00 30.35 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 3.407 -10.249 7.817 1.00 2.43 P HETATM 1451 O25 4EM A 101 4.878 -10.343 8.009 1.00 15.21 O HETATM 1452 O26 4EM A 101 2.789 -8.930 8.118 1.00 51.15 O HETATM 1453 O27 4EM A 101 2.736 -11.413 8.660 1.00 13.02 O HETATM 1454 C28 4EM A 101 1.332 -11.523 8.732 1.00 3.52 C HETATM 1455 C29 4EM A 101 0.947 -12.943 9.158 1.00 44.32 C HETATM 1456 C30 4EM A 101 1.547 -13.917 8.132 1.00 55.03 C HETATM 1457 C31 4EM A 101 -0.573 -13.118 9.110 1.00 64.05 C HETATM 1458 C32 4EM A 101 1.465 -13.269 10.571 1.00 53.14 C HETATM 1459 O33 4EM A 101 2.900 -13.245 10.631 1.00 52.31 O HETATM 1460 C34 4EM A 101 0.908 -12.257 11.604 1.00 24.54 C HETATM 1461 O35 4EM A 101 1.563 -11.247 11.909 1.00 14.23 O HETATM 1462 N36 4EM A 101 -0.289 -12.539 12.151 1.00 21.14 N HETATM 1463 C37 4EM A 101 -0.972 -11.684 13.133 1.00 54.33 C HETATM 1464 C38 4EM A 101 -2.528 -11.759 13.015 1.00 2.31 C HETATM 1465 C39 4EM A 101 -3.067 -11.460 11.595 1.00 50.23 C HETATM 1466 O40 4EM A 101 -4.192 -11.867 11.264 1.00 5.42 O HETATM 1467 N41 4EM A 101 -2.244 -10.724 10.807 1.00 34.44 N HETATM 1468 C42 4EM A 101 -2.391 -10.309 9.413 1.00 41.41 C HETATM 1469 C43 4EM A 101 -3.278 -11.186 8.525 1.00 71.30 C HETATM 1470 N44 4EM A 101 -2.966 -10.907 7.253 1.00 13.00 N HETATM 1471 C45 4EM A 101 -3.105 -9.732 6.633 1.00 61.43 C HETATM 1472 O46 4EM A 101 -3.602 -8.706 7.101 1.00 34.42 O HETATM 1473 C47 4EM A 101 -2.637 -9.814 5.393 1.00 75.33 C HETATM 1474 C49 4EM A 101 -1.498 -9.261 5.015 1.00 14.24 C HETATM 1475 C51 4EM A 101 -1.167 -9.809 3.856 1.00 73.42 C HETATM 1476 C50 4EM A 101 -2.101 -10.698 3.542 1.00 34.23 C HETATM 1477 N48 4EM A 101 -3.040 -10.695 4.484 1.00 3.30 N