USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 622 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 47 SER OG : rot 37:sc= 0.528! USER MOD Set 1.2: A 48 CYS SG : rot 180:sc= -0.113 USER MOD Set 2.1: A 14 SER OG : rot 103:sc= 0.715 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.947 X(o=-0.23,f=-0.022) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= -0.0412 USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 83 HIS : no HD1:sc= 0 X(o=-0.041,f=0.025) USER MOD Single : A 9 MET CE :methyl -123:sc= -0.006 (180deg=-0.085) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 60:sc= -1.47 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 CYS SG : rot -12:sc= 0.955 USER MOD Single : A 37 LYS NZ :NH3+ -143:sc= -2.84! (180deg=-4.61!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0752 USER MOD Single : A 49 MET CE :methyl 168:sc= -5.2 (180deg=-6.16!) USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0177) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.6) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.655 USER MOD Single : A 80 CYS SG : rot -130:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.332 -8.850 10.978 1.00 0.00 N ATOM 60 CA GLY A 7 0.630 -8.053 9.801 1.00 0.00 C ATOM 61 C GLY A 7 1.088 -6.646 10.193 1.00 0.00 C ATOM 62 O GLY A 7 1.700 -6.459 11.243 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.407 -8.542 9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.255 -7.988 9.168 1.00 0.00 H new ATOM 66 N VAL A 8 0.773 -5.694 9.328 1.00 0.00 N ATOM 67 CA VAL A 8 1.145 -4.310 9.570 1.00 0.00 C ATOM 68 C VAL A 8 0.015 -3.393 9.099 1.00 0.00 C ATOM 69 O VAL A 8 -0.505 -3.559 7.996 1.00 0.00 O ATOM 70 CB VAL A 8 2.484 -4.002 8.898 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.646 -4.196 9.875 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.676 -4.855 7.642 1.00 0.00 C ATOM 0 H VAL A 8 0.264 -5.853 8.458 1.00 0.00 H new ATOM 0 HA VAL A 8 1.284 -4.133 10.637 1.00 0.00 H new ATOM 0 HB VAL A 8 2.473 -2.955 8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.586 -3.970 9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.521 -3.527 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.660 -5.229 10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.636 -4.616 7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.656 -5.911 7.913 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.874 -4.646 6.934 1.00 0.00 H new ATOM 82 N MET A 9 -0.332 -2.445 9.957 1.00 0.00 N ATOM 83 CA MET A 9 -1.391 -1.501 9.642 1.00 0.00 C ATOM 84 C MET A 9 -0.819 -0.217 9.039 1.00 0.00 C ATOM 85 O MET A 9 -0.086 0.513 9.705 1.00 0.00 O ATOM 86 CB MET A 9 -2.171 -1.165 10.914 1.00 0.00 C ATOM 87 CG MET A 9 -3.302 -2.170 11.146 1.00 0.00 C ATOM 88 SD MET A 9 -2.896 -3.240 12.516 1.00 0.00 S ATOM 89 CE MET A 9 -3.162 -2.116 13.877 1.00 0.00 C ATOM 0 H MET A 9 0.102 -2.310 10.870 1.00 0.00 H new ATOM 0 HA MET A 9 -2.055 -1.960 8.909 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.496 -1.168 11.770 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.584 -0.159 10.837 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.233 -1.641 11.350 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.463 -2.763 10.246 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.249 -2.038 14.468 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.429 -1.133 13.490 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.970 -2.490 14.505 1.00 0.00 H new ATOM 99 N VAL A 10 -1.177 0.021 7.786 1.00 0.00 N ATOM 100 CA VAL A 10 -0.708 1.205 7.086 1.00 0.00 C ATOM 101 C VAL A 10 -1.911 2.046 6.653 1.00 0.00 C ATOM 102 O VAL A 10 -2.995 1.513 6.421 1.00 0.00 O ATOM 103 CB VAL A 10 0.190 0.800 5.915 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.396 -0.005 6.402 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.601 0.020 4.862 1.00 0.00 C ATOM 0 H VAL A 10 -1.786 -0.586 7.237 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.099 1.823 7.746 1.00 0.00 H new ATOM 0 HB VAL A 10 0.562 1.711 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.018 -0.280 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.980 0.599 7.097 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.051 -0.908 6.906 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.060 -0.256 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.016 -0.882 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.412 0.641 4.482 1.00 0.00 H new ATOM 115 N PHE A 11 -1.680 3.347 6.559 1.00 0.00 N ATOM 116 CA PHE A 11 -2.731 4.267 6.159 1.00 0.00 C ATOM 117 C PHE A 11 -2.683 4.533 4.653 1.00 0.00 C ATOM 118 O PHE A 11 -1.838 5.292 4.179 1.00 0.00 O ATOM 119 CB PHE A 11 -2.484 5.580 6.904 1.00 0.00 C ATOM 120 CG PHE A 11 -3.049 5.604 8.326 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.296 5.121 8.570 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.304 6.109 9.346 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.821 5.143 9.890 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.828 6.131 10.665 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.076 5.648 10.909 1.00 0.00 C ATOM 0 H PHE A 11 -0.780 3.786 6.753 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.707 3.842 6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.411 5.765 6.947 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.926 6.398 6.335 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.888 4.720 7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.313 6.493 9.152 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.812 4.759 10.084 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.236 6.531 11.475 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.475 5.666 11.912 1.00 0.00 H new ATOM 135 N ILE A 12 -3.600 3.893 3.942 1.00 0.00 N ATOM 136 CA ILE A 12 -3.672 4.051 2.499 1.00 0.00 C ATOM 137 C ILE A 12 -4.486 5.303 2.168 1.00 0.00 C ATOM 138 O ILE A 12 -5.477 5.599 2.835 1.00 0.00 O ATOM 139 CB ILE A 12 -4.212 2.776 1.847 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.504 1.537 2.397 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.121 2.859 0.322 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.100 1.399 1.804 1.00 0.00 C ATOM 0 H ILE A 12 -4.299 3.264 4.338 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.676 4.198 2.081 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.268 2.683 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.439 1.603 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.089 0.647 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.511 1.940 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.707 3.707 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.080 2.989 0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.619 0.510 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.170 1.309 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.510 2.280 2.057 1.00 0.00 H new ATOM 154 N SER A 13 -4.039 6.006 1.138 1.00 0.00 N ATOM 155 CA SER A 13 -4.713 7.220 0.710 1.00 0.00 C ATOM 156 C SER A 13 -4.527 7.419 -0.796 1.00 0.00 C ATOM 157 O SER A 13 -3.672 6.781 -1.409 1.00 0.00 O ATOM 158 CB SER A 13 -4.193 8.438 1.475 1.00 0.00 C ATOM 159 OG SER A 13 -2.796 8.344 1.742 1.00 0.00 O ATOM 0 H SER A 13 -3.217 5.758 0.587 1.00 0.00 H new ATOM 0 HA SER A 13 -5.776 7.116 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.392 9.341 0.898 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.736 8.535 2.415 1.00 0.00 H new ATOM 0 HG SER A 13 -2.502 9.141 2.230 1.00 0.00 H new ATOM 165 N SER A 14 -5.341 8.307 -1.348 1.00 0.00 N ATOM 166 CA SER A 14 -5.276 8.598 -2.770 1.00 0.00 C ATOM 167 C SER A 14 -5.731 10.035 -3.031 1.00 0.00 C ATOM 168 O SER A 14 -6.451 10.619 -2.222 1.00 0.00 O ATOM 169 CB SER A 14 -6.133 7.616 -3.573 1.00 0.00 C ATOM 170 OG SER A 14 -6.941 8.280 -4.540 1.00 0.00 O ATOM 0 H SER A 14 -6.049 8.834 -0.836 1.00 0.00 H new ATOM 0 HA SER A 14 -4.242 8.486 -3.095 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.486 6.896 -4.074 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.771 7.052 -2.893 1.00 0.00 H new ATOM 0 HG SER A 14 -6.544 8.171 -5.429 1.00 0.00 H new ATOM 176 N SER A 15 -5.292 10.565 -4.164 1.00 0.00 N ATOM 177 CA SER A 15 -5.645 11.923 -4.541 1.00 0.00 C ATOM 178 C SER A 15 -7.130 11.996 -4.904 1.00 0.00 C ATOM 179 O SER A 15 -7.737 13.063 -4.836 1.00 0.00 O ATOM 180 CB SER A 15 -4.788 12.409 -5.711 1.00 0.00 C ATOM 181 OG SER A 15 -4.168 13.662 -5.434 1.00 0.00 O ATOM 0 H SER A 15 -4.695 10.078 -4.833 1.00 0.00 H new ATOM 0 HA SER A 15 -5.453 12.576 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.022 11.666 -5.932 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.409 12.501 -6.602 1.00 0.00 H new ATOM 0 HG SER A 15 -3.628 13.937 -6.204 1.00 0.00 H new ATOM 187 N LEU A 16 -7.672 10.847 -5.280 1.00 0.00 N ATOM 188 CA LEU A 16 -9.074 10.767 -5.654 1.00 0.00 C ATOM 189 C LEU A 16 -9.938 11.188 -4.464 1.00 0.00 C ATOM 190 O LEU A 16 -10.860 11.989 -4.614 1.00 0.00 O ATOM 191 CB LEU A 16 -9.406 9.375 -6.194 1.00 0.00 C ATOM 192 CG LEU A 16 -8.542 8.882 -7.356 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.468 7.354 -7.376 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.039 9.449 -8.688 1.00 0.00 C ATOM 0 H LEU A 16 -7.165 9.963 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.292 11.459 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.321 8.660 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.448 9.371 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.527 9.251 -7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.848 7.031 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.032 6.999 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.471 6.943 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.407 9.083 -9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.068 9.131 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.996 10.538 -8.659 1.00 0.00 H new ATOM 206 N ASN A 17 -9.611 10.629 -3.308 1.00 0.00 N ATOM 207 CA ASN A 17 -10.346 10.936 -2.093 1.00 0.00 C ATOM 208 C ASN A 17 -9.407 11.608 -1.090 1.00 0.00 C ATOM 209 O ASN A 17 -8.413 11.016 -0.672 1.00 0.00 O ATOM 210 CB ASN A 17 -10.897 9.664 -1.446 1.00 0.00 C ATOM 211 CG ASN A 17 -9.804 8.604 -1.303 1.00 0.00 C ATOM 212 OD1 ASN A 17 -9.195 8.440 -0.258 1.00 0.00 O ATOM 213 ND2 ASN A 17 -9.589 7.895 -2.408 1.00 0.00 N ATOM 0 H ASN A 17 -8.846 9.965 -3.187 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.174 11.594 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.310 9.900 -0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.714 9.269 -2.050 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.879 7.163 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.134 8.084 -3.249 1.00 0.00 H new ATOM 220 N SER A 18 -9.755 12.835 -0.732 1.00 0.00 N ATOM 221 CA SER A 18 -8.956 13.594 0.215 1.00 0.00 C ATOM 222 C SER A 18 -9.163 13.049 1.630 1.00 0.00 C ATOM 223 O SER A 18 -9.901 13.633 2.421 1.00 0.00 O ATOM 224 CB SER A 18 -9.306 15.083 0.163 1.00 0.00 C ATOM 225 OG SER A 18 -8.150 15.897 -0.018 1.00 0.00 O ATOM 0 H SER A 18 -10.580 13.323 -1.081 1.00 0.00 H new ATOM 0 HA SER A 18 -7.907 13.486 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.007 15.262 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.810 15.369 1.086 1.00 0.00 H new ATOM 0 HG SER A 18 -8.415 16.840 -0.048 1.00 0.00 H new ATOM 231 N PHE A 19 -8.498 11.937 1.904 1.00 0.00 N ATOM 232 CA PHE A 19 -8.599 11.307 3.210 1.00 0.00 C ATOM 233 C PHE A 19 -7.695 10.076 3.297 1.00 0.00 C ATOM 234 O PHE A 19 -7.155 9.625 2.287 1.00 0.00 O ATOM 235 CB PHE A 19 -10.055 10.868 3.382 1.00 0.00 C ATOM 236 CG PHE A 19 -10.515 10.798 4.840 1.00 0.00 C ATOM 237 CD1 PHE A 19 -10.647 11.939 5.567 1.00 0.00 C ATOM 238 CD2 PHE A 19 -10.792 9.593 5.408 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.073 11.874 6.920 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.218 9.528 6.761 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.350 10.669 7.488 1.00 0.00 C ATOM 0 H PHE A 19 -7.887 11.456 1.244 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.289 12.007 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.699 11.561 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.185 9.888 2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.428 12.895 5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.688 8.687 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.177 12.780 7.498 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.437 8.572 7.213 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.675 10.619 8.517 1.00 0.00 H new ATOM 251 N ARG A 20 -7.557 9.568 4.512 1.00 0.00 N ATOM 252 CA ARG A 20 -6.726 8.398 4.744 1.00 0.00 C ATOM 253 C ARG A 20 -7.596 7.195 5.116 1.00 0.00 C ATOM 254 O ARG A 20 -8.498 7.309 5.945 1.00 0.00 O ATOM 255 CB ARG A 20 -5.715 8.653 5.864 1.00 0.00 C ATOM 256 CG ARG A 20 -4.550 9.510 5.365 1.00 0.00 C ATOM 257 CD ARG A 20 -4.903 10.998 5.413 1.00 0.00 C ATOM 258 NE ARG A 20 -3.974 11.767 4.555 1.00 0.00 N ATOM 259 CZ ARG A 20 -3.903 13.104 4.535 1.00 0.00 C ATOM 260 NH1 ARG A 20 -4.704 13.830 5.327 1.00 0.00 N ATOM 261 NH2 ARG A 20 -3.029 13.717 3.724 1.00 0.00 N ATOM 0 H ARG A 20 -8.006 9.945 5.347 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.184 8.188 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.208 9.153 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.337 7.703 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.668 9.322 5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.296 9.226 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.929 11.148 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.847 11.360 6.439 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.349 11.246 3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.368 13.364 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.650 14.848 5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.418 13.165 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.975 14.735 3.709 1.00 0.00 H new ATOM 275 N SER A 21 -7.295 6.070 4.485 1.00 0.00 N ATOM 276 CA SER A 21 -8.037 4.847 4.740 1.00 0.00 C ATOM 277 C SER A 21 -7.266 3.960 5.719 1.00 0.00 C ATOM 278 O SER A 21 -6.087 4.195 5.978 1.00 0.00 O ATOM 279 CB SER A 21 -8.312 4.089 3.440 1.00 0.00 C ATOM 280 OG SER A 21 -9.451 4.600 2.753 1.00 0.00 O ATOM 0 H SER A 21 -6.547 5.979 3.797 1.00 0.00 H new ATOM 0 HA SER A 21 -8.996 5.115 5.183 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.438 4.154 2.791 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.467 3.033 3.662 1.00 0.00 H new ATOM 0 HG SER A 21 -9.591 4.090 1.928 1.00 0.00 H new ATOM 286 N GLU A 22 -7.963 2.959 6.236 1.00 0.00 N ATOM 287 CA GLU A 22 -7.358 2.036 7.181 1.00 0.00 C ATOM 288 C GLU A 22 -7.460 0.601 6.661 1.00 0.00 C ATOM 289 O GLU A 22 -8.500 -0.041 6.799 1.00 0.00 O ATOM 290 CB GLU A 22 -8.002 2.165 8.563 1.00 0.00 C ATOM 291 CG GLU A 22 -7.177 1.433 9.623 1.00 0.00 C ATOM 292 CD GLU A 22 -7.663 1.780 11.032 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.898 1.891 11.195 1.00 0.00 O ATOM 294 OE2 GLU A 22 -6.790 1.926 11.914 1.00 0.00 O ATOM 0 H GLU A 22 -8.941 2.767 6.018 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.303 2.291 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.091 3.218 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.012 1.756 8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.248 0.357 9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.126 1.702 9.520 1.00 0.00 H new ATOM 301 N LYS A 23 -6.366 0.139 6.073 1.00 0.00 N ATOM 302 CA LYS A 23 -6.320 -1.208 5.531 1.00 0.00 C ATOM 303 C LYS A 23 -5.156 -1.970 6.168 1.00 0.00 C ATOM 304 O LYS A 23 -4.385 -1.400 6.939 1.00 0.00 O ATOM 305 CB LYS A 23 -6.266 -1.169 4.002 1.00 0.00 C ATOM 306 CG LYS A 23 -7.659 -0.941 3.410 1.00 0.00 C ATOM 307 CD LYS A 23 -8.207 -2.227 2.787 1.00 0.00 C ATOM 308 CE LYS A 23 -9.183 -1.913 1.652 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.463 -2.628 1.856 1.00 0.00 N ATOM 0 H LYS A 23 -5.505 0.674 5.960 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.232 -1.750 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.595 -0.374 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.855 -2.106 3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.337 -0.593 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.613 -0.157 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.383 -2.831 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.710 -2.820 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.363 -0.839 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.745 -2.204 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.114 -2.404 1.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.289 -3.653 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.887 -2.330 2.758 1.00 0.00 H new ATOM 323 N ARG A 24 -5.064 -3.245 5.821 1.00 0.00 N ATOM 324 CA ARG A 24 -4.007 -4.090 6.349 1.00 0.00 C ATOM 325 C ARG A 24 -3.396 -4.938 5.231 1.00 0.00 C ATOM 326 O ARG A 24 -4.103 -5.386 4.330 1.00 0.00 O ATOM 327 CB ARG A 24 -4.537 -5.014 7.448 1.00 0.00 C ATOM 328 CG ARG A 24 -3.460 -6.002 7.901 1.00 0.00 C ATOM 329 CD ARG A 24 -4.065 -7.119 8.753 1.00 0.00 C ATOM 330 NE ARG A 24 -3.529 -8.430 8.323 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.981 -9.610 8.770 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.979 -9.650 9.662 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.434 -10.749 8.324 1.00 0.00 N ATOM 0 H ARG A 24 -5.705 -3.714 5.180 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.244 -3.438 6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.871 -4.419 8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.406 -5.561 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.966 -6.431 7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.696 -5.476 8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.835 -6.950 9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.151 -7.112 8.659 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.768 -8.436 7.644 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.395 -8.783 10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.323 -10.548 10.002 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.674 -10.718 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.778 -11.647 8.664 1.00 0.00 H new ATOM 347 N TYR A 25 -2.089 -5.132 5.326 1.00 0.00 N ATOM 348 CA TYR A 25 -1.375 -5.917 4.334 1.00 0.00 C ATOM 349 C TYR A 25 -0.194 -6.657 4.966 1.00 0.00 C ATOM 350 O TYR A 25 0.308 -6.251 6.013 1.00 0.00 O ATOM 351 CB TYR A 25 -0.843 -4.916 3.307 1.00 0.00 C ATOM 352 CG TYR A 25 -1.900 -3.942 2.782 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.644 -4.266 1.666 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.110 -2.740 3.426 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.639 -3.350 1.172 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.105 -1.823 2.932 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.820 -2.173 1.830 1.00 0.00 C ATOM 358 OH TYR A 25 -4.760 -1.308 1.364 1.00 0.00 O ATOM 0 H TYR A 25 -1.506 -4.759 6.075 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.034 -6.663 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.030 -4.346 3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.419 -5.465 2.466 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.480 -5.207 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.529 -2.487 4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.228 -3.592 0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.279 -0.879 3.426 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.639 -1.741 1.378 1.00 0.00 H new ATOM 368 N SER A 26 0.215 -7.729 4.304 1.00 0.00 N ATOM 369 CA SER A 26 1.327 -8.528 4.788 1.00 0.00 C ATOM 370 C SER A 26 2.652 -7.903 4.346 1.00 0.00 C ATOM 371 O SER A 26 2.732 -7.298 3.279 1.00 0.00 O ATOM 372 CB SER A 26 1.228 -9.971 4.287 1.00 0.00 C ATOM 373 OG SER A 26 2.303 -10.776 4.762 1.00 0.00 O ATOM 0 H SER A 26 -0.204 -8.063 3.436 1.00 0.00 H new ATOM 0 HA SER A 26 1.286 -8.546 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.281 -10.403 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.225 -9.977 3.197 1.00 0.00 H new ATOM 0 HG SER A 26 2.203 -11.690 4.422 1.00 0.00 H new ATOM 379 N ARG A 27 3.659 -8.071 5.191 1.00 0.00 N ATOM 380 CA ARG A 27 4.977 -7.531 4.901 1.00 0.00 C ATOM 381 C ARG A 27 5.664 -8.363 3.816 1.00 0.00 C ATOM 382 O ARG A 27 6.779 -8.049 3.401 1.00 0.00 O ATOM 383 CB ARG A 27 5.854 -7.516 6.154 1.00 0.00 C ATOM 384 CG ARG A 27 5.273 -6.582 7.218 1.00 0.00 C ATOM 385 CD ARG A 27 6.382 -5.987 8.089 1.00 0.00 C ATOM 386 NE ARG A 27 6.525 -4.541 7.807 1.00 0.00 N ATOM 387 CZ ARG A 27 7.362 -3.727 8.465 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.134 -4.212 9.448 1.00 0.00 N ATOM 389 NH2 ARG A 27 7.426 -2.429 8.142 1.00 0.00 N ATOM 0 H ARG A 27 3.589 -8.573 6.076 1.00 0.00 H new ATOM 0 HA ARG A 27 4.846 -6.507 4.551 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.936 -8.525 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.862 -7.194 5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.714 -5.780 6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.569 -7.131 7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.149 -6.139 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.324 -6.499 7.893 1.00 0.00 H new ATOM 0 HE ARG A 27 5.951 -4.139 7.066 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.084 -5.200 9.695 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.771 -3.593 9.949 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.838 -2.060 7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.063 -1.810 8.643 1.00 0.00 H new ATOM 403 N SER A 28 4.971 -9.407 3.387 1.00 0.00 N ATOM 404 CA SER A 28 5.501 -10.286 2.358 1.00 0.00 C ATOM 405 C SER A 28 4.861 -9.956 1.008 1.00 0.00 C ATOM 406 O SER A 28 5.215 -10.546 -0.012 1.00 0.00 O ATOM 407 CB SER A 28 5.264 -11.755 2.713 1.00 0.00 C ATOM 408 OG SER A 28 6.011 -12.154 3.859 1.00 0.00 O ATOM 0 H SER A 28 4.047 -9.664 3.733 1.00 0.00 H new ATOM 0 HA SER A 28 6.577 -10.126 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.202 -11.917 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.539 -12.382 1.865 1.00 0.00 H new ATOM 0 HG SER A 28 5.831 -13.097 4.054 1.00 0.00 H new ATOM 414 N LEU A 29 3.930 -9.014 1.045 1.00 0.00 N ATOM 415 CA LEU A 29 3.237 -8.599 -0.164 1.00 0.00 C ATOM 416 C LEU A 29 4.184 -7.764 -1.028 1.00 0.00 C ATOM 417 O LEU A 29 4.490 -6.621 -0.693 1.00 0.00 O ATOM 418 CB LEU A 29 1.932 -7.883 0.187 1.00 0.00 C ATOM 419 CG LEU A 29 0.663 -8.736 0.134 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.581 -7.887 0.401 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.566 -9.494 -1.192 1.00 0.00 C ATOM 0 H LEU A 29 3.639 -8.526 1.892 1.00 0.00 H new ATOM 0 HA LEU A 29 2.948 -9.468 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.026 -7.470 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.808 -7.041 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 29 0.720 -9.481 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.469 -8.518 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.507 -7.433 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.656 -7.104 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.345 -10.092 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.543 -8.782 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.431 -10.148 -1.301 1.00 0.00 H new ATOM 433 N THR A 30 4.622 -8.368 -2.123 1.00 0.00 N ATOM 434 CA THR A 30 5.528 -7.695 -3.038 1.00 0.00 C ATOM 435 C THR A 30 4.945 -6.348 -3.471 1.00 0.00 C ATOM 436 O THR A 30 3.772 -6.263 -3.830 1.00 0.00 O ATOM 437 CB THR A 30 5.808 -8.640 -4.207 1.00 0.00 C ATOM 438 OG1 THR A 30 4.514 -8.989 -4.690 1.00 0.00 O ATOM 439 CG2 THR A 30 6.407 -9.973 -3.752 1.00 0.00 C ATOM 0 H THR A 30 4.366 -9.317 -2.397 1.00 0.00 H new ATOM 0 HA THR A 30 6.477 -7.463 -2.555 1.00 0.00 H new ATOM 0 HB THR A 30 6.488 -8.157 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.603 -9.600 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.586 -10.607 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.349 -9.791 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.713 -10.472 -3.076 1.00 0.00 H new ATOM 447 N ILE A 31 5.791 -5.330 -3.423 1.00 0.00 N ATOM 448 CA ILE A 31 5.375 -3.992 -3.806 1.00 0.00 C ATOM 449 C ILE A 31 4.430 -4.081 -5.007 1.00 0.00 C ATOM 450 O ILE A 31 3.419 -3.383 -5.058 1.00 0.00 O ATOM 451 CB ILE A 31 6.594 -3.100 -4.048 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.465 -3.010 -2.793 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.171 -1.719 -4.552 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.646 -2.538 -1.590 1.00 0.00 C ATOM 0 H ILE A 31 6.763 -5.405 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 31 4.819 -3.519 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 31 7.201 -3.556 -4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.903 -3.985 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.291 -2.321 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.056 -1.105 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.624 -1.825 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.530 -1.242 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.289 -2.483 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.230 -1.552 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.835 -3.242 -1.403 1.00 0.00 H new ATOM 466 N ALA A 32 4.794 -4.945 -5.943 1.00 0.00 N ATOM 467 CA ALA A 32 3.991 -5.134 -7.139 1.00 0.00 C ATOM 468 C ALA A 32 2.601 -5.634 -6.742 1.00 0.00 C ATOM 469 O ALA A 32 1.592 -5.057 -7.144 1.00 0.00 O ATOM 470 CB ALA A 32 4.708 -6.098 -8.088 1.00 0.00 C ATOM 0 H ALA A 32 5.634 -5.522 -5.897 1.00 0.00 H new ATOM 0 HA ALA A 32 3.863 -4.190 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.106 -6.240 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.678 -5.683 -8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.852 -7.058 -7.592 1.00 0.00 H new ATOM 476 N GLU A 33 2.593 -6.702 -5.958 1.00 0.00 N ATOM 477 CA GLU A 33 1.343 -7.286 -5.502 1.00 0.00 C ATOM 478 C GLU A 33 0.537 -6.258 -4.704 1.00 0.00 C ATOM 479 O GLU A 33 -0.636 -6.024 -4.992 1.00 0.00 O ATOM 480 CB GLU A 33 1.596 -8.546 -4.673 1.00 0.00 C ATOM 481 CG GLU A 33 1.769 -9.770 -5.575 1.00 0.00 C ATOM 482 CD GLU A 33 0.492 -10.612 -5.607 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.362 -10.315 -6.470 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.400 -11.534 -4.769 1.00 0.00 O ATOM 0 H GLU A 33 3.432 -7.178 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 33 0.761 -7.577 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.489 -8.411 -4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.763 -8.709 -3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.023 -9.449 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.600 -10.377 -5.215 1.00 0.00 H new ATOM 491 N PHE A 34 1.198 -5.672 -3.717 1.00 0.00 N ATOM 492 CA PHE A 34 0.558 -4.675 -2.876 1.00 0.00 C ATOM 493 C PHE A 34 -0.292 -3.716 -3.712 1.00 0.00 C ATOM 494 O PHE A 34 -1.427 -3.410 -3.350 1.00 0.00 O ATOM 495 CB PHE A 34 1.674 -3.884 -2.191 1.00 0.00 C ATOM 496 CG PHE A 34 1.178 -2.894 -1.135 1.00 0.00 C ATOM 497 CD1 PHE A 34 -0.125 -2.913 -0.744 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.039 -1.994 -0.589 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.585 -1.994 0.236 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.578 -1.075 0.391 1.00 0.00 C ATOM 501 CZ PHE A 34 0.276 -1.095 0.782 1.00 0.00 C ATOM 0 H PHE A 34 2.171 -5.869 -3.481 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.097 -5.163 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.366 -4.584 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.237 -3.339 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.809 -3.627 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.073 -1.978 -0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.619 -2.009 0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.262 -0.361 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.074 -0.396 1.527 1.00 0.00 H new ATOM 511 N LYS A 35 0.290 -3.269 -4.815 1.00 0.00 N ATOM 512 CA LYS A 35 -0.399 -2.351 -5.705 1.00 0.00 C ATOM 513 C LYS A 35 -1.704 -2.992 -6.182 1.00 0.00 C ATOM 514 O LYS A 35 -2.732 -2.323 -6.273 1.00 0.00 O ATOM 515 CB LYS A 35 0.524 -1.915 -6.845 1.00 0.00 C ATOM 516 CG LYS A 35 1.798 -1.265 -6.301 1.00 0.00 C ATOM 517 CD LYS A 35 2.965 -1.447 -7.273 1.00 0.00 C ATOM 518 CE LYS A 35 3.771 -0.154 -7.410 1.00 0.00 C ATOM 519 NZ LYS A 35 3.440 0.531 -8.680 1.00 0.00 N ATOM 0 H LYS A 35 1.231 -3.526 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.667 -1.437 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.785 -2.778 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.001 -1.212 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.624 -0.202 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.052 -1.705 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.614 -2.249 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.586 -1.749 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.558 0.505 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.837 -0.378 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.996 1.407 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.665 -0.094 -9.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.426 0.762 -8.696 1.00 0.00 H new ATOM 533 N CYS A 36 -1.620 -4.282 -6.473 1.00 0.00 N ATOM 534 CA CYS A 36 -2.781 -5.022 -6.938 1.00 0.00 C ATOM 535 C CYS A 36 -3.892 -4.876 -5.896 1.00 0.00 C ATOM 536 O CYS A 36 -5.070 -4.811 -6.244 1.00 0.00 O ATOM 537 CB CYS A 36 -2.444 -6.489 -7.212 1.00 0.00 C ATOM 538 SG CYS A 36 -2.690 -6.866 -8.986 1.00 0.00 S ATOM 0 H CYS A 36 -0.766 -4.834 -6.396 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.120 -4.612 -7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.412 -6.693 -6.928 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.076 -7.136 -6.603 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.337 -5.890 -9.551 1.00 0.00 H new ATOM 544 N LYS A 37 -3.478 -4.829 -4.638 1.00 0.00 N ATOM 545 CA LYS A 37 -4.423 -4.693 -3.543 1.00 0.00 C ATOM 546 C LYS A 37 -5.001 -3.276 -3.548 1.00 0.00 C ATOM 547 O LYS A 37 -6.174 -3.080 -3.236 1.00 0.00 O ATOM 548 CB LYS A 37 -3.768 -5.085 -2.218 1.00 0.00 C ATOM 549 CG LYS A 37 -3.719 -6.606 -2.059 1.00 0.00 C ATOM 550 CD LYS A 37 -2.396 -7.169 -2.582 1.00 0.00 C ATOM 551 CE LYS A 37 -2.599 -8.549 -3.212 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.563 -8.807 -4.237 1.00 0.00 N ATOM 0 H LYS A 37 -2.500 -4.883 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.259 -5.380 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.758 -4.678 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.325 -4.647 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.841 -6.870 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.550 -7.059 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.973 -6.487 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.678 -7.240 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.555 -9.318 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.589 -8.607 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.983 -9.331 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.183 -7.902 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.794 -9.369 -3.820 1.00 0.00 H new ATOM 566 N LEU A 38 -4.151 -2.325 -3.907 1.00 0.00 N ATOM 567 CA LEU A 38 -4.562 -0.933 -3.957 1.00 0.00 C ATOM 568 C LEU A 38 -5.506 -0.726 -5.143 1.00 0.00 C ATOM 569 O LEU A 38 -6.444 0.064 -5.064 1.00 0.00 O ATOM 570 CB LEU A 38 -3.340 -0.013 -3.975 1.00 0.00 C ATOM 571 CG LEU A 38 -2.265 -0.304 -2.926 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.166 0.760 -2.957 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.884 -0.449 -1.534 1.00 0.00 C ATOM 0 H LEU A 38 -3.179 -2.492 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.118 -0.668 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.881 -0.071 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.681 1.014 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.796 -1.257 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.415 0.529 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.699 0.772 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.600 1.738 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.099 -0.655 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.394 0.476 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.600 -1.271 -1.538 1.00 0.00 H new ATOM 585 N GLU A 39 -5.223 -1.452 -6.216 1.00 0.00 N ATOM 586 CA GLU A 39 -6.035 -1.358 -7.417 1.00 0.00 C ATOM 587 C GLU A 39 -7.518 -1.277 -7.051 1.00 0.00 C ATOM 588 O GLU A 39 -8.307 -0.669 -7.772 1.00 0.00 O ATOM 589 CB GLU A 39 -5.765 -2.537 -8.354 1.00 0.00 C ATOM 590 CG GLU A 39 -4.395 -2.404 -9.022 1.00 0.00 C ATOM 591 CD GLU A 39 -4.265 -3.366 -10.204 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.657 -2.953 -11.317 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.778 -4.493 -9.969 1.00 0.00 O ATOM 0 H GLU A 39 -4.443 -2.107 -6.278 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.762 -0.445 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.811 -3.470 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.542 -2.585 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.252 -1.379 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.610 -2.609 -8.294 1.00 0.00 H new ATOM 600 N LEU A 40 -7.853 -1.899 -5.930 1.00 0.00 N ATOM 601 CA LEU A 40 -9.227 -1.905 -5.459 1.00 0.00 C ATOM 602 C LEU A 40 -9.436 -0.737 -4.493 1.00 0.00 C ATOM 603 O LEU A 40 -10.453 -0.048 -4.558 1.00 0.00 O ATOM 604 CB LEU A 40 -9.583 -3.268 -4.862 1.00 0.00 C ATOM 605 CG LEU A 40 -9.786 -4.407 -5.863 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.536 -5.766 -5.206 1.00 0.00 C ATOM 607 CD2 LEU A 40 -11.170 -4.329 -6.510 1.00 0.00 C ATOM 0 H LEU A 40 -7.196 -2.403 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.915 -1.758 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.793 -3.556 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.496 -3.159 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.051 -4.295 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.687 -6.558 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.513 -5.807 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.230 -5.902 -4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.288 -5.150 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.937 -4.401 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.273 -3.380 -7.036 1.00 0.00 H new ATOM 619 N VAL A 41 -8.457 -0.550 -3.620 1.00 0.00 N ATOM 620 CA VAL A 41 -8.521 0.522 -2.642 1.00 0.00 C ATOM 621 C VAL A 41 -8.818 1.842 -3.358 1.00 0.00 C ATOM 622 O VAL A 41 -9.528 2.694 -2.827 1.00 0.00 O ATOM 623 CB VAL A 41 -7.229 0.563 -1.825 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.237 1.737 -0.844 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.001 -0.761 -1.093 1.00 0.00 C ATOM 0 H VAL A 41 -7.615 -1.123 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.331 0.346 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.400 0.711 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.307 1.743 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.331 2.672 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.079 1.634 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.076 -0.705 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.835 -0.952 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.929 -1.571 -1.819 1.00 0.00 H new ATOM 635 N VAL A 42 -8.258 1.969 -4.552 1.00 0.00 N ATOM 636 CA VAL A 42 -8.454 3.171 -5.346 1.00 0.00 C ATOM 637 C VAL A 42 -9.380 2.855 -6.522 1.00 0.00 C ATOM 638 O VAL A 42 -10.128 3.718 -6.977 1.00 0.00 O ATOM 639 CB VAL A 42 -7.100 3.734 -5.785 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.536 4.689 -4.731 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.111 2.607 -6.090 1.00 0.00 C ATOM 0 H VAL A 42 -7.669 1.260 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.937 3.947 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.254 4.302 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.574 5.075 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.228 5.518 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.404 4.155 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.157 3.034 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.964 2.000 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.506 1.983 -6.891 1.00 0.00 H new ATOM 651 N GLY A 43 -9.299 1.614 -6.980 1.00 0.00 N ATOM 652 CA GLY A 43 -10.121 1.173 -8.095 1.00 0.00 C ATOM 653 C GLY A 43 -9.418 1.430 -9.429 1.00 0.00 C ATOM 654 O GLY A 43 -9.974 1.154 -10.491 1.00 0.00 O ATOM 0 H GLY A 43 -8.677 0.900 -6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.338 0.110 -7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.077 1.697 -8.077 1.00 0.00 H new ATOM 658 N SER A 44 -8.206 1.956 -9.332 1.00 0.00 N ATOM 659 CA SER A 44 -7.421 2.253 -10.518 1.00 0.00 C ATOM 660 C SER A 44 -6.377 1.158 -10.743 1.00 0.00 C ATOM 661 O SER A 44 -6.219 0.265 -9.911 1.00 0.00 O ATOM 662 CB SER A 44 -6.741 3.618 -10.401 1.00 0.00 C ATOM 663 OG SER A 44 -7.069 4.275 -9.180 1.00 0.00 O ATOM 0 H SER A 44 -7.748 2.184 -8.450 1.00 0.00 H new ATOM 0 HA SER A 44 -8.095 2.285 -11.374 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.660 3.491 -10.466 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.039 4.245 -11.241 1.00 0.00 H new ATOM 0 HG SER A 44 -6.614 5.142 -9.143 1.00 0.00 H new ATOM 669 N PRO A 45 -5.672 1.264 -11.901 1.00 0.00 N ATOM 670 CA PRO A 45 -4.648 0.293 -12.246 1.00 0.00 C ATOM 671 C PRO A 45 -3.382 0.514 -11.415 1.00 0.00 C ATOM 672 O PRO A 45 -2.954 1.650 -11.220 1.00 0.00 O ATOM 673 CB PRO A 45 -4.419 0.475 -13.737 1.00 0.00 C ATOM 674 CG PRO A 45 -4.980 1.845 -14.081 1.00 0.00 C ATOM 675 CD PRO A 45 -5.832 2.307 -12.910 1.00 0.00 C ATOM 0 HA PRO A 45 -4.948 -0.731 -12.025 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.358 0.415 -13.979 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.921 -0.307 -14.307 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.172 2.552 -14.268 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.577 1.795 -14.992 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.499 3.275 -12.535 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.876 2.420 -13.200 1.00 0.00 H new ATOM 683 N ALA A 46 -2.818 -0.591 -10.950 1.00 0.00 N ATOM 684 CA ALA A 46 -1.610 -0.532 -10.145 1.00 0.00 C ATOM 685 C ALA A 46 -0.413 -0.230 -11.050 1.00 0.00 C ATOM 686 O ALA A 46 0.629 0.221 -10.577 1.00 0.00 O ATOM 687 CB ALA A 46 -1.443 -1.845 -9.377 1.00 0.00 C ATOM 0 H ALA A 46 -3.175 -1.532 -11.115 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.678 0.270 -9.410 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.537 -1.801 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.305 -1.999 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.369 -2.672 -10.083 1.00 0.00 H new ATOM 693 N SER A 47 -0.603 -0.491 -12.335 1.00 0.00 N ATOM 694 CA SER A 47 0.447 -0.253 -13.310 1.00 0.00 C ATOM 695 C SER A 47 0.505 1.235 -13.663 1.00 0.00 C ATOM 696 O SER A 47 1.320 1.650 -14.486 1.00 0.00 O ATOM 697 CB SER A 47 0.227 -1.090 -14.572 1.00 0.00 C ATOM 698 OG SER A 47 0.331 -0.305 -15.757 1.00 0.00 O ATOM 0 H SER A 47 -1.469 -0.865 -12.723 1.00 0.00 H new ATOM 0 HA SER A 47 1.398 -0.553 -12.869 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.960 -1.896 -14.605 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.757 -1.556 -14.531 1.00 0.00 H new ATOM 0 HG SER A 47 1.037 0.365 -15.645 1.00 0.00 H new ATOM 704 N CYS A 48 -0.370 1.997 -13.024 1.00 0.00 N ATOM 705 CA CYS A 48 -0.428 3.429 -13.260 1.00 0.00 C ATOM 706 C CYS A 48 -0.172 4.146 -11.932 1.00 0.00 C ATOM 707 O CYS A 48 0.834 4.837 -11.780 1.00 0.00 O ATOM 708 CB CYS A 48 -1.760 3.846 -13.886 1.00 0.00 C ATOM 709 SG CYS A 48 -1.800 3.367 -15.651 1.00 0.00 S ATOM 0 H CYS A 48 -1.045 1.649 -12.343 1.00 0.00 H new ATOM 0 HA CYS A 48 0.341 3.713 -13.979 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.585 3.373 -13.354 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.895 4.923 -13.790 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.936 3.724 -16.172 1.00 0.00 H new ATOM 715 N MET A 49 -1.100 3.956 -11.006 1.00 0.00 N ATOM 716 CA MET A 49 -0.987 4.576 -9.696 1.00 0.00 C ATOM 717 C MET A 49 0.420 4.397 -9.124 1.00 0.00 C ATOM 718 O MET A 49 1.095 3.413 -9.423 1.00 0.00 O ATOM 719 CB MET A 49 -2.009 3.949 -8.745 1.00 0.00 C ATOM 720 CG MET A 49 -1.392 2.785 -7.968 1.00 0.00 C ATOM 721 SD MET A 49 -2.569 2.149 -6.786 1.00 0.00 S ATOM 722 CE MET A 49 -3.834 1.555 -7.897 1.00 0.00 C ATOM 0 H MET A 49 -1.933 3.382 -11.136 1.00 0.00 H new ATOM 0 HA MET A 49 -1.182 5.643 -9.802 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.373 4.704 -8.048 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.870 3.596 -9.312 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.093 1.995 -8.657 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.491 3.118 -7.453 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.543 0.939 -7.345 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.357 2.403 -8.339 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.375 0.960 -8.687 1.00 0.00 H new ATOM 732 N GLU A 50 0.821 5.363 -8.311 1.00 0.00 N ATOM 733 CA GLU A 50 2.136 5.324 -7.694 1.00 0.00 C ATOM 734 C GLU A 50 2.008 5.116 -6.183 1.00 0.00 C ATOM 735 O GLU A 50 0.948 5.358 -5.607 1.00 0.00 O ATOM 736 CB GLU A 50 2.927 6.595 -8.007 1.00 0.00 C ATOM 737 CG GLU A 50 4.381 6.267 -8.349 1.00 0.00 C ATOM 738 CD GLU A 50 4.472 5.484 -9.661 1.00 0.00 C ATOM 739 OE1 GLU A 50 3.804 5.913 -10.626 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.208 4.474 -9.668 1.00 0.00 O ATOM 0 H GLU A 50 0.258 6.178 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 50 2.686 4.481 -8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.463 7.120 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.894 7.268 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.956 7.189 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.826 5.685 -7.542 1.00 0.00 H new ATOM 747 N LEU A 51 3.102 4.668 -5.585 1.00 0.00 N ATOM 748 CA LEU A 51 3.125 4.425 -4.152 1.00 0.00 C ATOM 749 C LEU A 51 4.111 5.391 -3.491 1.00 0.00 C ATOM 750 O LEU A 51 5.147 5.717 -4.068 1.00 0.00 O ATOM 751 CB LEU A 51 3.420 2.952 -3.864 1.00 0.00 C ATOM 752 CG LEU A 51 2.447 1.941 -4.474 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.715 0.532 -3.943 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.996 2.372 -4.250 1.00 0.00 C ATOM 0 H LEU A 51 3.979 4.467 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 51 2.146 4.621 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.423 2.725 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.431 2.809 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 51 2.612 1.915 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.009 -0.167 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.732 0.235 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.595 0.522 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.325 1.636 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.799 2.445 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.829 3.343 -4.716 1.00 0.00 H new ATOM 766 N GLU A 52 3.753 5.821 -2.290 1.00 0.00 N ATOM 767 CA GLU A 52 4.594 6.742 -1.544 1.00 0.00 C ATOM 768 C GLU A 52 4.635 6.346 -0.067 1.00 0.00 C ATOM 769 O GLU A 52 3.642 5.866 0.478 1.00 0.00 O ATOM 770 CB GLU A 52 4.110 8.184 -1.712 1.00 0.00 C ATOM 771 CG GLU A 52 4.133 8.602 -3.184 1.00 0.00 C ATOM 772 CD GLU A 52 4.879 9.925 -3.366 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.808 10.750 -2.430 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.503 10.082 -4.438 1.00 0.00 O ATOM 0 H GLU A 52 2.892 5.549 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 52 5.607 6.684 -1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.098 8.280 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.743 8.854 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.613 7.825 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.112 8.702 -3.553 1.00 0.00 H new ATOM 781 N LEU A 53 5.793 6.562 0.539 1.00 0.00 N ATOM 782 CA LEU A 53 5.976 6.234 1.942 1.00 0.00 C ATOM 783 C LEU A 53 6.200 7.522 2.738 1.00 0.00 C ATOM 784 O LEU A 53 7.291 8.089 2.713 1.00 0.00 O ATOM 785 CB LEU A 53 7.096 5.205 2.110 1.00 0.00 C ATOM 786 CG LEU A 53 7.704 5.097 3.510 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.678 4.566 4.513 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.978 4.251 3.491 1.00 0.00 C ATOM 0 H LEU A 53 6.614 6.960 0.084 1.00 0.00 H new ATOM 0 HA LEU A 53 5.079 5.763 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.708 4.226 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.893 5.447 1.407 1.00 0.00 H new ATOM 0 HG LEU A 53 7.987 6.097 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.135 4.499 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.825 5.243 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.342 3.577 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.390 4.190 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.744 3.248 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.710 4.711 2.827 1.00 0.00 H new ATOM 800 N TYR A 54 5.150 7.945 3.425 1.00 0.00 N ATOM 801 CA TYR A 54 5.218 9.155 4.226 1.00 0.00 C ATOM 802 C TYR A 54 5.579 8.832 5.677 1.00 0.00 C ATOM 803 O TYR A 54 5.201 7.783 6.196 1.00 0.00 O ATOM 804 CB TYR A 54 3.816 9.767 4.186 1.00 0.00 C ATOM 805 CG TYR A 54 3.507 10.530 2.897 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.559 9.881 1.681 1.00 0.00 C ATOM 807 CD2 TYR A 54 3.176 11.869 2.950 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.268 10.599 0.467 1.00 0.00 C ATOM 809 CE2 TYR A 54 2.884 12.588 1.737 1.00 0.00 C ATOM 810 CZ TYR A 54 2.945 11.917 0.555 1.00 0.00 C ATOM 811 OH TYR A 54 2.670 12.596 -0.591 1.00 0.00 O ATOM 0 H TYR A 54 4.247 7.471 3.444 1.00 0.00 H new ATOM 0 HA TYR A 54 5.980 9.830 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.080 8.973 4.311 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.702 10.444 5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.818 8.833 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.136 12.378 3.902 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.305 10.102 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.623 13.636 1.765 1.00 0.00 H new ATOM 0 HH TYR A 54 2.455 13.527 -0.376 1.00 0.00 H new ATOM 821 N GLY A 55 6.307 9.753 6.292 1.00 0.00 N ATOM 822 CA GLY A 55 6.724 9.580 7.673 1.00 0.00 C ATOM 823 C GLY A 55 5.513 9.465 8.601 1.00 0.00 C ATOM 824 O GLY A 55 4.580 8.715 8.319 1.00 0.00 O ATOM 0 H GLY A 55 6.619 10.622 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.340 8.685 7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.342 10.424 7.979 1.00 0.00 H new ATOM 828 N ALA A 56 5.567 10.220 9.688 1.00 0.00 N ATOM 829 CA ALA A 56 4.486 10.213 10.659 1.00 0.00 C ATOM 830 C ALA A 56 3.489 11.321 10.314 1.00 0.00 C ATOM 831 O ALA A 56 2.385 11.045 9.846 1.00 0.00 O ATOM 832 CB ALA A 56 5.063 10.365 12.067 1.00 0.00 C ATOM 0 H ALA A 56 6.343 10.841 9.918 1.00 0.00 H new ATOM 0 HA ALA A 56 3.949 9.265 10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.252 10.360 12.795 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.741 9.537 12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.608 11.307 12.137 1.00 0.00 H new ATOM 838 N ASP A 57 3.914 12.552 10.559 1.00 0.00 N ATOM 839 CA ASP A 57 3.072 13.703 10.281 1.00 0.00 C ATOM 840 C ASP A 57 2.587 13.637 8.831 1.00 0.00 C ATOM 841 O ASP A 57 1.388 13.722 8.570 1.00 0.00 O ATOM 842 CB ASP A 57 3.848 15.009 10.460 1.00 0.00 C ATOM 843 CG ASP A 57 2.989 16.234 10.781 1.00 0.00 C ATOM 844 OD1 ASP A 57 2.525 16.314 11.939 1.00 0.00 O ATOM 845 OD2 ASP A 57 2.815 17.062 9.861 1.00 0.00 O ATOM 0 H ASP A 57 4.830 12.777 10.947 1.00 0.00 H new ATOM 0 HA ASP A 57 2.233 13.683 10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.576 14.875 11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.411 15.208 9.548 1.00 0.00 H new ATOM 850 N ASP A 58 3.544 13.485 7.927 1.00 0.00 N ATOM 851 CA ASP A 58 3.229 13.406 6.511 1.00 0.00 C ATOM 852 C ASP A 58 4.437 13.875 5.697 1.00 0.00 C ATOM 853 O ASP A 58 4.343 14.841 4.941 1.00 0.00 O ATOM 854 CB ASP A 58 2.043 14.306 6.159 1.00 0.00 C ATOM 855 CG ASP A 58 2.018 15.654 6.881 1.00 0.00 C ATOM 856 OD1 ASP A 58 3.121 16.193 7.115 1.00 0.00 O ATOM 857 OD2 ASP A 58 0.896 16.116 7.183 1.00 0.00 O ATOM 0 H ASP A 58 4.537 13.415 8.148 1.00 0.00 H new ATOM 0 HA ASP A 58 2.977 12.371 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.050 14.487 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.121 13.772 6.387 1.00 0.00 H new ATOM 862 N LYS A 59 5.544 13.171 5.881 1.00 0.00 N ATOM 863 CA LYS A 59 6.768 13.504 5.173 1.00 0.00 C ATOM 864 C LYS A 59 7.153 12.342 4.254 1.00 0.00 C ATOM 865 O LYS A 59 7.552 11.279 4.726 1.00 0.00 O ATOM 866 CB LYS A 59 7.868 13.896 6.162 1.00 0.00 C ATOM 867 CG LYS A 59 8.183 12.744 7.118 1.00 0.00 C ATOM 868 CD LYS A 59 9.138 13.195 8.225 1.00 0.00 C ATOM 869 CE LYS A 59 8.421 14.093 9.235 1.00 0.00 C ATOM 870 NZ LYS A 59 7.833 13.281 10.324 1.00 0.00 N ATOM 0 H LYS A 59 5.619 12.372 6.510 1.00 0.00 H new ATOM 0 HA LYS A 59 6.616 14.376 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.769 14.177 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.555 14.771 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.259 12.370 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.628 11.918 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.547 12.323 8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.979 13.733 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.123 14.816 9.651 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.638 14.661 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.912 13.680 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.704 12.302 9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.470 13.290 11.146 1.00 0.00 H new ATOM 884 N PHE A 60 7.020 12.585 2.959 1.00 0.00 N ATOM 885 CA PHE A 60 7.349 11.573 1.970 1.00 0.00 C ATOM 886 C PHE A 60 8.826 11.183 2.055 1.00 0.00 C ATOM 887 O PHE A 60 9.686 12.037 2.262 1.00 0.00 O ATOM 888 CB PHE A 60 7.074 12.185 0.595 1.00 0.00 C ATOM 889 CG PHE A 60 7.781 11.469 -0.558 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.301 10.282 -1.018 1.00 0.00 C ATOM 891 CD2 PHE A 60 8.889 12.019 -1.123 1.00 0.00 C ATOM 892 CE1 PHE A 60 7.957 9.618 -2.087 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.545 11.355 -2.193 1.00 0.00 C ATOM 894 CZ PHE A 60 9.065 10.168 -2.652 1.00 0.00 C ATOM 0 H PHE A 60 6.689 13.468 2.571 1.00 0.00 H new ATOM 0 HA PHE A 60 6.753 10.677 2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.000 12.173 0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.384 13.230 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.421 9.845 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.270 12.961 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.576 8.676 -2.452 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.425 11.792 -2.642 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.564 9.662 -3.465 1.00 0.00 H new ATOM 904 N TYR A 61 9.074 9.892 1.891 1.00 0.00 N ATOM 905 CA TYR A 61 10.432 9.377 1.946 1.00 0.00 C ATOM 906 C TYR A 61 10.862 8.816 0.590 1.00 0.00 C ATOM 907 O TYR A 61 11.626 9.452 -0.135 1.00 0.00 O ATOM 908 CB TYR A 61 10.411 8.241 2.971 1.00 0.00 C ATOM 909 CG TYR A 61 10.621 8.702 4.415 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.528 10.042 4.732 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.903 7.777 5.400 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.726 10.475 6.091 1.00 0.00 C ATOM 913 CE2 TYR A 61 11.100 8.211 6.759 1.00 0.00 C ATOM 914 CZ TYR A 61 11.002 9.538 7.038 1.00 0.00 C ATOM 915 OH TYR A 61 11.189 9.948 8.321 1.00 0.00 O ATOM 0 H TYR A 61 8.357 9.187 1.720 1.00 0.00 H new ATOM 0 HA TYR A 61 11.132 10.169 2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.456 7.721 2.902 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.187 7.519 2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.307 10.765 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.976 6.728 5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.657 11.521 6.353 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.321 7.498 7.539 1.00 0.00 H new ATOM 0 HH TYR A 61 11.377 9.171 8.888 1.00 0.00 H new ATOM 925 N SER A 62 10.352 7.632 0.286 1.00 0.00 N ATOM 926 CA SER A 62 10.674 6.978 -0.971 1.00 0.00 C ATOM 927 C SER A 62 9.396 6.453 -1.629 1.00 0.00 C ATOM 928 O SER A 62 8.324 6.489 -1.028 1.00 0.00 O ATOM 929 CB SER A 62 11.669 5.836 -0.758 1.00 0.00 C ATOM 930 OG SER A 62 13.001 6.220 -1.089 1.00 0.00 O ATOM 0 H SER A 62 9.718 7.108 0.889 1.00 0.00 H new ATOM 0 HA SER A 62 11.140 7.711 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.633 5.513 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.376 4.981 -1.368 1.00 0.00 H new ATOM 0 HG SER A 62 13.606 5.464 -0.938 1.00 0.00 H new ATOM 936 N LYS A 63 9.554 5.976 -2.855 1.00 0.00 N ATOM 937 CA LYS A 63 8.427 5.444 -3.602 1.00 0.00 C ATOM 938 C LYS A 63 8.498 3.916 -3.605 1.00 0.00 C ATOM 939 O LYS A 63 9.566 3.341 -3.811 1.00 0.00 O ATOM 940 CB LYS A 63 8.372 6.060 -5.002 1.00 0.00 C ATOM 941 CG LYS A 63 8.882 7.502 -4.986 1.00 0.00 C ATOM 942 CD LYS A 63 10.408 7.546 -5.093 1.00 0.00 C ATOM 943 CE LYS A 63 10.848 8.314 -6.341 1.00 0.00 C ATOM 944 NZ LYS A 63 12.115 9.035 -6.085 1.00 0.00 N ATOM 0 H LYS A 63 10.446 5.947 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 63 7.488 5.719 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.974 5.465 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.348 6.037 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.440 8.057 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.564 7.994 -4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.825 8.020 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.803 6.531 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.978 7.623 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.072 9.022 -6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.400 9.551 -6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.980 9.708 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.857 8.353 -5.829 1.00 0.00 H new ATOM 958 N LEU A 64 7.347 3.301 -3.374 1.00 0.00 N ATOM 959 CA LEU A 64 7.265 1.851 -3.348 1.00 0.00 C ATOM 960 C LEU A 64 7.048 1.330 -4.770 1.00 0.00 C ATOM 961 O LEU A 64 5.977 0.816 -5.089 1.00 0.00 O ATOM 962 CB LEU A 64 6.195 1.392 -2.355 1.00 0.00 C ATOM 963 CG LEU A 64 6.440 1.757 -0.889 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.919 2.059 -0.639 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.537 2.913 -0.454 1.00 0.00 C ATOM 0 H LEU A 64 6.463 3.781 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 64 8.202 1.424 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.239 1.817 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.100 0.309 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 64 6.179 0.896 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.066 2.315 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.516 1.181 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.230 2.896 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.731 3.153 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.743 3.788 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.493 2.623 -0.572 1.00 0.00 H new ATOM 977 N ASP A 65 8.081 1.482 -5.586 1.00 0.00 N ATOM 978 CA ASP A 65 8.016 1.034 -6.966 1.00 0.00 C ATOM 979 C ASP A 65 8.709 -0.325 -7.090 1.00 0.00 C ATOM 980 O ASP A 65 8.176 -1.243 -7.711 1.00 0.00 O ATOM 981 CB ASP A 65 8.730 2.015 -7.898 1.00 0.00 C ATOM 982 CG ASP A 65 9.330 1.390 -9.159 1.00 0.00 C ATOM 983 OD1 ASP A 65 8.528 0.954 -10.013 1.00 0.00 O ATOM 984 OD2 ASP A 65 10.577 1.362 -9.240 1.00 0.00 O ATOM 0 H ASP A 65 8.967 1.909 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 65 6.966 0.967 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.023 2.790 -8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.527 2.508 -7.341 1.00 0.00 H new ATOM 989 N GLN A 66 9.887 -0.409 -6.489 1.00 0.00 N ATOM 990 CA GLN A 66 10.659 -1.640 -6.524 1.00 0.00 C ATOM 991 C GLN A 66 9.741 -2.848 -6.325 1.00 0.00 C ATOM 992 O GLN A 66 9.311 -3.128 -5.207 1.00 0.00 O ATOM 993 CB GLN A 66 11.772 -1.619 -5.475 1.00 0.00 C ATOM 994 CG GLN A 66 12.626 -2.886 -5.557 1.00 0.00 C ATOM 995 CD GLN A 66 13.836 -2.674 -6.469 1.00 0.00 C ATOM 996 OE1 GLN A 66 14.496 -1.648 -6.440 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.089 -3.698 -7.279 1.00 0.00 N ATOM 0 H GLN A 66 10.326 0.355 -5.975 1.00 0.00 H new ATOM 0 HA GLN A 66 11.130 -1.723 -7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.401 -0.742 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.337 -1.533 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.963 -3.167 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.022 -3.712 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.497 -4.528 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.875 -3.653 -7.927 1.00 0.00 H new ATOM 1006 N GLU A 67 9.467 -3.531 -7.427 1.00 0.00 N ATOM 1007 CA GLU A 67 8.608 -4.702 -7.388 1.00 0.00 C ATOM 1008 C GLU A 67 9.324 -5.863 -6.694 1.00 0.00 C ATOM 1009 O GLU A 67 8.725 -6.575 -5.889 1.00 0.00 O ATOM 1010 CB GLU A 67 8.157 -5.099 -8.795 1.00 0.00 C ATOM 1011 CG GLU A 67 7.565 -3.900 -9.539 1.00 0.00 C ATOM 1012 CD GLU A 67 8.242 -3.709 -10.898 1.00 0.00 C ATOM 1013 OE1 GLU A 67 9.491 -3.744 -10.919 1.00 0.00 O ATOM 1014 OE2 GLU A 67 7.494 -3.533 -11.884 1.00 0.00 O ATOM 0 H GLU A 67 9.825 -3.296 -8.353 1.00 0.00 H new ATOM 0 HA GLU A 67 7.716 -4.454 -6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.004 -5.496 -9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.415 -5.895 -8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.494 -4.047 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.687 -2.999 -8.938 1.00 0.00 H new ATOM 1021 N ASP A 68 10.596 -6.017 -7.031 1.00 0.00 N ATOM 1022 CA ASP A 68 11.400 -7.079 -6.450 1.00 0.00 C ATOM 1023 C ASP A 68 11.492 -6.874 -4.937 1.00 0.00 C ATOM 1024 O ASP A 68 11.899 -7.778 -4.208 1.00 0.00 O ATOM 1025 CB ASP A 68 12.822 -7.066 -7.016 1.00 0.00 C ATOM 1026 CG ASP A 68 13.358 -8.431 -7.451 1.00 0.00 C ATOM 1027 OD1 ASP A 68 12.709 -9.042 -8.327 1.00 0.00 O ATOM 1028 OD2 ASP A 68 14.404 -8.833 -6.898 1.00 0.00 O ATOM 0 H ASP A 68 11.090 -5.425 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 68 10.925 -8.030 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.850 -6.392 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.493 -6.652 -6.263 1.00 0.00 H new ATOM 1033 N ALA A 69 11.106 -5.682 -4.509 1.00 0.00 N ATOM 1034 CA ALA A 69 11.139 -5.347 -3.095 1.00 0.00 C ATOM 1035 C ALA A 69 9.866 -5.864 -2.423 1.00 0.00 C ATOM 1036 O ALA A 69 8.855 -6.088 -3.088 1.00 0.00 O ATOM 1037 CB ALA A 69 11.312 -3.835 -2.932 1.00 0.00 C ATOM 0 H ALA A 69 10.768 -4.935 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 69 11.987 -5.827 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.337 -3.584 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.245 -3.523 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.477 -3.320 -3.407 1.00 0.00 H new ATOM 1043 N LEU A 70 9.955 -6.038 -1.112 1.00 0.00 N ATOM 1044 CA LEU A 70 8.823 -6.525 -0.343 1.00 0.00 C ATOM 1045 C LEU A 70 8.432 -5.476 0.700 1.00 0.00 C ATOM 1046 O LEU A 70 9.286 -4.745 1.200 1.00 0.00 O ATOM 1047 CB LEU A 70 9.131 -7.900 0.253 1.00 0.00 C ATOM 1048 CG LEU A 70 9.683 -8.944 -0.719 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.368 -10.086 0.034 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.586 -9.453 -1.657 1.00 0.00 C ATOM 0 H LEU A 70 10.794 -5.850 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 70 7.958 -6.671 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.849 -7.770 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.217 -8.294 0.698 1.00 0.00 H new ATOM 0 HG LEU A 70 10.442 -8.466 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.752 -10.814 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.193 -9.689 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.648 -10.570 0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.005 -10.194 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.788 -9.909 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.183 -8.619 -2.232 1.00 0.00 H new ATOM 1062 N LEU A 71 7.142 -5.435 0.997 1.00 0.00 N ATOM 1063 CA LEU A 71 6.627 -4.487 1.971 1.00 0.00 C ATOM 1064 C LEU A 71 7.217 -4.806 3.346 1.00 0.00 C ATOM 1065 O LEU A 71 6.786 -5.749 4.007 1.00 0.00 O ATOM 1066 CB LEU A 71 5.098 -4.471 1.947 1.00 0.00 C ATOM 1067 CG LEU A 71 4.440 -3.093 2.039 1.00 0.00 C ATOM 1068 CD1 LEU A 71 2.936 -3.219 2.289 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.126 -2.227 3.097 1.00 0.00 C ATOM 0 H LEU A 71 6.437 -6.043 0.580 1.00 0.00 H new ATOM 0 HA LEU A 71 6.937 -3.473 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.764 -4.950 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.735 -5.081 2.774 1.00 0.00 H new ATOM 0 HG LEU A 71 4.566 -2.590 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.493 -2.225 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.476 -3.772 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.766 -3.750 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.639 -1.253 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.053 -2.714 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.176 -2.096 2.835 1.00 0.00 H new ATOM 1081 N GLY A 72 8.194 -4.000 3.736 1.00 0.00 N ATOM 1082 CA GLY A 72 8.848 -4.184 5.021 1.00 0.00 C ATOM 1083 C GLY A 72 10.319 -3.771 4.952 1.00 0.00 C ATOM 1084 O GLY A 72 10.839 -3.156 5.881 1.00 0.00 O ATOM 0 H GLY A 72 8.548 -3.218 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.336 -3.594 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.774 -5.228 5.325 1.00 0.00 H new ATOM 1088 N SER A 73 10.949 -4.126 3.842 1.00 0.00 N ATOM 1089 CA SER A 73 12.350 -3.800 3.639 1.00 0.00 C ATOM 1090 C SER A 73 12.530 -2.282 3.576 1.00 0.00 C ATOM 1091 O SER A 73 13.635 -1.776 3.768 1.00 0.00 O ATOM 1092 CB SER A 73 12.889 -4.451 2.364 1.00 0.00 C ATOM 1093 OG SER A 73 14.110 -5.147 2.595 1.00 0.00 O ATOM 0 H SER A 73 10.514 -4.637 3.073 1.00 0.00 H new ATOM 0 HA SER A 73 12.918 -4.193 4.483 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.146 -5.144 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.046 -3.685 1.605 1.00 0.00 H new ATOM 0 HG SER A 73 14.420 -5.550 1.757 1.00 0.00 H new ATOM 1099 N TYR A 74 11.428 -1.598 3.306 1.00 0.00 N ATOM 1100 CA TYR A 74 11.450 -0.148 3.216 1.00 0.00 C ATOM 1101 C TYR A 74 11.267 0.491 4.594 1.00 0.00 C ATOM 1102 O TYR A 74 10.927 -0.193 5.558 1.00 0.00 O ATOM 1103 CB TYR A 74 10.266 0.238 2.327 1.00 0.00 C ATOM 1104 CG TYR A 74 10.596 0.275 0.833 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.491 1.207 0.347 1.00 0.00 C ATOM 1106 CD2 TYR A 74 9.998 -0.622 -0.028 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.801 1.243 -1.058 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.308 -0.586 -1.434 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.194 0.344 -1.880 1.00 0.00 C ATOM 1110 OH TYR A 74 11.487 0.378 -3.207 1.00 0.00 O ATOM 0 H TYR A 74 10.514 -2.021 3.147 1.00 0.00 H new ATOM 0 HA TYR A 74 12.404 0.196 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.455 -0.471 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.900 1.218 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.959 1.909 1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.298 -1.351 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.499 1.967 -1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.847 -1.282 -2.119 1.00 0.00 H new ATOM 0 HH TYR A 74 12.403 0.702 -3.331 1.00 0.00 H new ATOM 1120 N PRO A 75 11.506 1.829 4.644 1.00 0.00 N ATOM 1121 CA PRO A 75 11.371 2.567 5.888 1.00 0.00 C ATOM 1122 C PRO A 75 9.898 2.782 6.241 1.00 0.00 C ATOM 1123 O PRO A 75 9.462 3.915 6.438 1.00 0.00 O ATOM 1124 CB PRO A 75 12.122 3.868 5.657 1.00 0.00 C ATOM 1125 CG PRO A 75 12.253 4.012 4.150 1.00 0.00 C ATOM 1126 CD PRO A 75 11.910 2.671 3.522 1.00 0.00 C ATOM 0 HA PRO A 75 11.784 2.030 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.581 4.712 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.102 3.843 6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.583 4.789 3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.266 4.311 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.107 2.770 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.767 2.248 2.998 1.00 0.00 H new ATOM 1134 N VAL A 76 9.171 1.676 6.309 1.00 0.00 N ATOM 1135 CA VAL A 76 7.756 1.730 6.634 1.00 0.00 C ATOM 1136 C VAL A 76 7.485 0.856 7.860 1.00 0.00 C ATOM 1137 O VAL A 76 8.343 0.076 8.272 1.00 0.00 O ATOM 1138 CB VAL A 76 6.923 1.325 5.416 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.081 -0.168 5.116 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.451 1.692 5.611 1.00 0.00 C ATOM 0 H VAL A 76 9.536 0.738 6.145 1.00 0.00 H new ATOM 0 HA VAL A 76 7.462 2.748 6.889 1.00 0.00 H new ATOM 0 HB VAL A 76 7.295 1.881 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.479 -0.430 4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.129 -0.389 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.748 -0.749 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.882 1.393 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.060 1.176 6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.360 2.769 5.753 1.00 0.00 H new ATOM 1150 N ASP A 77 6.290 1.016 8.409 1.00 0.00 N ATOM 1151 CA ASP A 77 5.896 0.251 9.580 1.00 0.00 C ATOM 1152 C ASP A 77 4.430 0.543 9.905 1.00 0.00 C ATOM 1153 O ASP A 77 3.858 1.507 9.399 1.00 0.00 O ATOM 1154 CB ASP A 77 6.736 0.638 10.799 1.00 0.00 C ATOM 1155 CG ASP A 77 6.719 -0.376 11.944 1.00 0.00 C ATOM 1156 OD1 ASP A 77 5.976 -1.372 11.810 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.451 -0.133 12.929 1.00 0.00 O ATOM 0 H ASP A 77 5.582 1.664 8.065 1.00 0.00 H new ATOM 0 HA ASP A 77 6.047 -0.806 9.359 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.768 0.785 10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.380 1.596 11.177 1.00 0.00 H new ATOM 1162 N ASP A 78 3.863 -0.307 10.748 1.00 0.00 N ATOM 1163 CA ASP A 78 2.474 -0.153 11.147 1.00 0.00 C ATOM 1164 C ASP A 78 2.283 1.222 11.791 1.00 0.00 C ATOM 1165 O ASP A 78 2.620 1.416 12.958 1.00 0.00 O ATOM 1166 CB ASP A 78 2.073 -1.215 12.171 1.00 0.00 C ATOM 1167 CG ASP A 78 3.092 -1.455 13.287 1.00 0.00 C ATOM 1168 OD1 ASP A 78 3.063 -0.670 14.260 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.877 -2.416 13.143 1.00 0.00 O ATOM 0 H ASP A 78 4.340 -1.105 11.166 1.00 0.00 H new ATOM 0 HA ASP A 78 1.854 -0.260 10.257 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.125 -0.923 12.622 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.901 -2.156 11.648 1.00 0.00 H new ATOM 1174 N GLY A 79 1.743 2.140 11.004 1.00 0.00 N ATOM 1175 CA GLY A 79 1.503 3.490 11.483 1.00 0.00 C ATOM 1176 C GLY A 79 1.819 4.522 10.398 1.00 0.00 C ATOM 1177 O GLY A 79 1.330 5.649 10.447 1.00 0.00 O ATOM 0 H GLY A 79 1.465 1.975 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.463 3.590 11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.118 3.682 12.363 1.00 0.00 H new ATOM 1181 N CYS A 80 2.636 4.099 9.444 1.00 0.00 N ATOM 1182 CA CYS A 80 3.023 4.972 8.349 1.00 0.00 C ATOM 1183 C CYS A 80 1.793 5.217 7.473 1.00 0.00 C ATOM 1184 O CYS A 80 0.687 4.804 7.819 1.00 0.00 O ATOM 1185 CB CYS A 80 4.188 4.389 7.546 1.00 0.00 C ATOM 1186 SG CYS A 80 5.776 4.823 8.344 1.00 0.00 S ATOM 0 H CYS A 80 3.040 3.163 9.407 1.00 0.00 H new ATOM 0 HA CYS A 80 3.380 5.922 8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.089 3.306 7.480 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.167 4.774 6.526 1.00 0.00 H new ATOM 0 HG CYS A 80 6.585 5.323 7.458 1.00 0.00 H new ATOM 1192 N ARG A 81 2.026 5.890 6.355 1.00 0.00 N ATOM 1193 CA ARG A 81 0.951 6.195 5.427 1.00 0.00 C ATOM 1194 C ARG A 81 1.402 5.935 3.988 1.00 0.00 C ATOM 1195 O ARG A 81 2.550 6.199 3.636 1.00 0.00 O ATOM 1196 CB ARG A 81 0.508 7.654 5.559 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.711 7.938 4.678 1.00 0.00 C ATOM 1198 CD ARG A 81 -1.101 9.416 4.744 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.431 10.166 3.658 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.324 11.501 3.621 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.843 12.242 4.610 1.00 0.00 N ATOM 1202 NH2 ARG A 81 0.301 12.095 2.596 1.00 0.00 N ATOM 0 H ARG A 81 2.944 6.232 6.071 1.00 0.00 H new ATOM 0 HA ARG A 81 0.109 5.547 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.268 7.872 6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.328 8.314 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.491 7.662 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.550 7.322 5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.182 9.519 4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.820 9.832 5.711 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.025 9.633 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.319 11.789 5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.762 13.258 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.696 11.531 1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.382 13.111 2.568 1.00 0.00 H new ATOM 1216 N ILE A 82 0.474 5.419 3.196 1.00 0.00 N ATOM 1217 CA ILE A 82 0.761 5.119 1.803 1.00 0.00 C ATOM 1218 C ILE A 82 -0.092 6.018 0.906 1.00 0.00 C ATOM 1219 O ILE A 82 -1.271 5.743 0.687 1.00 0.00 O ATOM 1220 CB ILE A 82 0.579 3.625 1.528 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.539 2.790 2.377 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.721 3.321 0.035 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.879 2.601 1.664 1.00 0.00 C ATOM 0 H ILE A 82 -0.477 5.201 3.492 1.00 0.00 H new ATOM 0 HA ILE A 82 1.804 5.337 1.574 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.434 3.345 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.700 3.279 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.094 1.817 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.587 2.252 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.035 3.873 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.713 3.620 -0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.543 2.004 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.717 2.090 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.333 3.574 1.479 1.00 0.00 H new ATOM 1235 N HIS A 83 0.537 7.074 0.412 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.150 8.016 -0.456 1.00 0.00 C ATOM 1237 C HIS A 83 -0.106 7.509 -1.899 1.00 0.00 C ATOM 1238 O HIS A 83 0.885 7.706 -2.600 1.00 0.00 O ATOM 1239 CB HIS A 83 0.434 9.421 -0.304 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.393 10.504 -0.955 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.634 10.889 -0.479 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.143 11.279 -2.049 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.101 11.852 -1.259 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.176 12.092 -2.232 1.00 0.00 N ATOM 0 H HIS A 83 1.515 7.298 0.596 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.198 8.088 -0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.539 9.647 0.757 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.436 9.435 -0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.745 11.238 -2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.048 12.358 -1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.264 12.783 -2.978 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.193 6.866 -2.300 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.291 6.329 -3.647 1.00 0.00 C ATOM 1254 C VAL A 84 -1.590 7.468 -4.624 1.00 0.00 C ATOM 1255 O VAL A 84 -2.692 8.014 -4.627 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.337 5.213 -3.691 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.489 4.660 -5.109 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -1.992 4.099 -2.701 1.00 0.00 C ATOM 0 H VAL A 84 -2.013 6.705 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.345 5.881 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.295 5.639 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.238 3.868 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.803 5.460 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.534 4.257 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.751 3.319 -2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.019 3.676 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.959 4.507 -1.691 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.590 7.791 -5.430 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.732 8.855 -6.410 1.00 0.00 C ATOM 1270 C ILE A 85 -1.569 8.350 -7.587 1.00 0.00 C ATOM 1271 O ILE A 85 -1.071 7.615 -8.438 1.00 0.00 O ATOM 1272 CB ILE A 85 0.640 9.394 -6.818 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.369 10.005 -5.619 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.517 10.383 -7.979 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.879 10.043 -5.857 1.00 0.00 C ATOM 0 H ILE A 85 0.322 7.335 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.266 9.702 -5.978 1.00 0.00 H new ATOM 0 HB ILE A 85 1.244 8.558 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.000 11.015 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.153 9.424 -4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.507 10.751 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.069 9.883 -8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.112 11.221 -7.678 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.373 10.482 -4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.249 9.029 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.093 10.645 -6.740 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.828 8.764 -7.597 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.739 8.362 -8.655 1.00 0.00 C ATOM 1289 C ASP A 86 -3.163 8.787 -10.007 1.00 0.00 C ATOM 1290 O ASP A 86 -3.003 9.977 -10.271 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.104 9.034 -8.491 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.176 10.481 -8.985 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -4.448 11.315 -8.405 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -5.957 10.719 -9.931 1.00 0.00 O ATOM 0 H ASP A 86 -3.238 9.373 -6.889 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.860 7.280 -8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.849 8.445 -9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.379 9.012 -7.436 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.866 7.789 -10.827 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.311 8.044 -12.146 1.00 0.00 C ATOM 1301 C HIS A 87 -3.373 7.770 -13.212 1.00 0.00 C ATOM 1302 O HIS A 87 -3.112 7.915 -14.405 1.00 0.00 O ATOM 1303 CB HIS A 87 -1.031 7.235 -12.362 1.00 0.00 C ATOM 1304 CG HIS A 87 0.238 8.008 -12.092 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.605 9.125 -12.822 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.219 7.815 -11.164 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.758 9.574 -12.348 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.137 8.761 -11.321 1.00 0.00 N ATOM 0 H HIS A 87 -2.999 6.803 -10.604 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.027 9.093 -12.228 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.054 6.358 -11.715 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.012 6.873 -13.390 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.245 7.026 -10.427 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.302 10.433 -12.711 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.986 8.863 -10.765 1.00 0.00 H new