USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 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 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.003) USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= 0.913 (180deg=0.2) USER MOD Single : A 18 ASN : amide:sc= -0.304 K(o=-0.3,f=-5.4!) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0226) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0182 (180deg=-0.193) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0.415 (180deg=0.41) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0466 USER MOD Single : A 35 THR OG1 : rot -32:sc= 0.273 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.00085) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0.0345 X(o=0.035,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 10.998 4.769 1.139 1.00 0.00 N ATOM 51 CA LEU A 6 10.220 5.114 2.324 1.00 0.00 C ATOM 52 C LEU A 6 8.982 4.218 2.300 1.00 0.00 C ATOM 53 O LEU A 6 7.926 4.611 1.787 1.00 0.00 O ATOM 54 CB LEU A 6 9.824 6.616 2.286 1.00 0.00 C ATOM 55 CG LEU A 6 10.998 7.612 2.068 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.466 9.014 1.725 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.941 7.652 3.288 1.00 0.00 C ATOM 0 HA LEU A 6 10.791 4.959 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.094 6.761 1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.327 6.867 3.223 1.00 0.00 H new ATOM 0 HG LEU A 6 11.584 7.257 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.304 9.695 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.872 8.965 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.844 9.377 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.749 8.358 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.382 7.966 4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.359 6.660 3.458 1.00 0.00 H new ATOM 69 N TYR A 7 9.195 2.965 2.719 1.00 0.00 N ATOM 70 CA TYR A 7 8.147 1.930 2.802 1.00 0.00 C ATOM 71 C TYR A 7 6.901 2.465 3.530 1.00 0.00 C ATOM 72 O TYR A 7 5.891 2.782 2.887 1.00 0.00 O ATOM 73 CB TYR A 7 8.720 0.669 3.502 1.00 0.00 C ATOM 74 CG TYR A 7 9.739 -0.088 2.636 1.00 0.00 C ATOM 75 CD1 TYR A 7 11.098 0.229 2.679 1.00 0.00 C ATOM 76 CD2 TYR A 7 9.340 -1.105 1.765 1.00 0.00 C ATOM 77 CE1 TYR A 7 12.015 -0.439 1.894 1.00 0.00 C ATOM 78 CE2 TYR A 7 10.260 -1.772 0.977 1.00 0.00 C ATOM 79 CZ TYR A 7 11.595 -1.438 1.048 1.00 0.00 C ATOM 80 OH TYR A 7 12.512 -2.106 0.262 1.00 0.00 O ATOM 0 H TYR A 7 10.113 2.632 3.015 1.00 0.00 H new ATOM 0 HA TYR A 7 7.834 1.655 1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 7 9.195 0.964 4.438 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.900 -0.002 3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 7 11.438 1.013 3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.296 -1.375 1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.062 -0.177 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.933 -2.553 0.307 1.00 0.00 H new ATOM 0 HH TYR A 7 12.050 -2.782 -0.276 1.00 0.00 H new ATOM 90 N GLU A 8 6.996 2.571 4.856 1.00 0.00 N ATOM 91 CA GLU A 8 6.029 3.303 5.667 1.00 0.00 C ATOM 92 C GLU A 8 6.695 3.677 6.979 1.00 0.00 C ATOM 93 O GLU A 8 6.964 2.804 7.808 1.00 0.00 O ATOM 94 CB GLU A 8 4.721 2.493 5.892 1.00 0.00 C ATOM 95 CG GLU A 8 3.634 3.268 6.675 1.00 0.00 C ATOM 96 CD GLU A 8 2.217 2.752 6.396 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.749 2.890 5.245 1.00 0.00 O ATOM 98 OE2 GLU A 8 1.567 2.204 7.301 1.00 0.00 O ATOM 0 H GLU A 8 7.750 2.149 5.398 1.00 0.00 H new ATOM 0 HA GLU A 8 5.726 4.207 5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.317 2.197 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.960 1.577 6.431 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.839 3.193 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.689 4.325 6.414 1.00 0.00 H new ATOM 105 N VAL A 9 7.011 4.967 7.139 1.00 0.00 N ATOM 106 CA VAL A 9 7.584 5.477 8.377 1.00 0.00 C ATOM 107 C VAL A 9 6.505 5.465 9.477 1.00 0.00 C ATOM 108 O VAL A 9 5.357 5.861 9.235 1.00 0.00 O ATOM 109 CB VAL A 9 8.206 6.921 8.186 1.00 0.00 C ATOM 110 CG1 VAL A 9 9.240 6.933 7.020 1.00 0.00 C ATOM 111 CG2 VAL A 9 7.124 8.006 7.970 1.00 0.00 C ATOM 0 H VAL A 9 6.876 5.676 6.418 1.00 0.00 H new ATOM 0 HA VAL A 9 8.406 4.828 8.678 1.00 0.00 H new ATOM 0 HB VAL A 9 8.724 7.166 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.652 7.936 6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.045 6.232 7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.747 6.639 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.603 8.977 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.544 7.769 7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.462 8.037 8.835 1.00 0.00 H new ATOM 121 N GLU A 10 6.851 4.930 10.654 1.00 0.00 N ATOM 122 CA GLU A 10 6.004 5.042 11.842 1.00 0.00 C ATOM 123 C GLU A 10 6.046 6.503 12.320 1.00 0.00 C ATOM 124 O GLU A 10 5.000 7.139 12.463 1.00 0.00 O ATOM 125 CB GLU A 10 6.482 4.085 12.962 1.00 0.00 C ATOM 126 CG GLU A 10 5.541 4.048 14.186 1.00 0.00 C ATOM 127 CD GLU A 10 6.079 3.237 15.377 1.00 0.00 C ATOM 128 OE1 GLU A 10 6.371 2.040 15.216 1.00 0.00 O ATOM 129 OE2 GLU A 10 6.207 3.797 16.489 1.00 0.00 O ATOM 0 H GLU A 10 7.717 4.413 10.807 1.00 0.00 H new ATOM 0 HA GLU A 10 4.982 4.756 11.594 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.574 3.078 12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.477 4.389 13.288 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.351 5.070 14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.583 3.628 13.880 1.00 0.00 H new ATOM 136 N ARG A 11 7.284 7.027 12.494 1.00 0.00 N ATOM 137 CA ARG A 11 7.535 8.421 12.932 1.00 0.00 C ATOM 138 C ARG A 11 9.050 8.672 12.992 1.00 0.00 C ATOM 139 O ARG A 11 9.841 7.787 12.646 1.00 0.00 O ATOM 140 CB ARG A 11 6.855 8.713 14.319 1.00 0.00 C ATOM 141 CG ARG A 11 7.550 8.106 15.564 1.00 0.00 C ATOM 142 CD ARG A 11 6.617 8.028 16.793 1.00 0.00 C ATOM 143 NE ARG A 11 5.875 9.292 17.019 1.00 0.00 N ATOM 144 CZ ARG A 11 4.780 9.438 17.789 1.00 0.00 C ATOM 145 NH1 ARG A 11 4.303 8.431 18.495 1.00 0.00 N ATOM 146 NH2 ARG A 11 4.164 10.609 17.830 1.00 0.00 N ATOM 0 H ARG A 11 8.138 6.493 12.334 1.00 0.00 H new ATOM 0 HA ARG A 11 7.091 9.105 12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.798 9.793 14.452 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.831 8.341 14.283 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.909 7.106 15.322 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.424 8.706 15.815 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.907 7.212 16.656 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.206 7.792 17.679 1.00 0.00 H new ATOM 0 HE ARG A 11 6.226 10.126 16.549 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.765 7.522 18.464 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.472 8.561 19.072 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.519 11.392 17.281 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.334 10.729 18.411 1.00 0.00 H new ATOM 160 N ILE A 12 9.458 9.875 13.419 1.00 0.00 N ATOM 161 CA ILE A 12 10.874 10.197 13.624 1.00 0.00 C ATOM 162 C ILE A 12 11.274 9.874 15.072 1.00 0.00 C ATOM 163 O ILE A 12 10.534 10.174 16.015 1.00 0.00 O ATOM 164 CB ILE A 12 11.194 11.700 13.315 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.618 12.114 11.919 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.726 11.965 13.399 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.067 13.477 11.432 1.00 0.00 C ATOM 0 H ILE A 12 8.822 10.644 13.630 1.00 0.00 H new ATOM 0 HA ILE A 12 11.450 9.588 12.927 1.00 0.00 H new ATOM 0 HB ILE A 12 10.708 12.318 14.070 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.910 11.365 11.183 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.529 12.102 11.971 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.926 13.014 13.181 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.082 11.728 14.402 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.244 11.338 12.673 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.620 13.681 10.459 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.751 14.240 12.143 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.153 13.492 11.343 1.00 0.00 H new ATOM 179 N VAL A 13 12.439 9.238 15.208 1.00 0.00 N ATOM 180 CA VAL A 13 13.085 8.939 16.488 1.00 0.00 C ATOM 181 C VAL A 13 13.944 10.146 16.930 1.00 0.00 C ATOM 182 O VAL A 13 13.735 10.719 18.004 1.00 0.00 O ATOM 183 CB VAL A 13 14.005 7.661 16.345 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.861 7.402 17.605 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.172 6.417 15.969 1.00 0.00 C ATOM 0 H VAL A 13 12.975 8.907 14.406 1.00 0.00 H new ATOM 0 HA VAL A 13 12.317 8.744 17.236 1.00 0.00 H new ATOM 0 HB VAL A 13 14.702 7.864 15.532 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.473 6.513 17.453 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.507 8.260 17.789 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.207 7.249 18.464 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.830 5.553 15.877 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.430 6.228 16.745 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.667 6.591 15.019 1.00 0.00 H new ATOM 195 N ASP A 14 14.880 10.536 16.045 1.00 0.00 N ATOM 196 CA ASP A 14 15.987 11.457 16.369 1.00 0.00 C ATOM 197 C ASP A 14 16.547 12.038 15.041 1.00 0.00 C ATOM 198 O ASP A 14 15.948 11.825 13.985 1.00 0.00 O ATOM 199 CB ASP A 14 17.071 10.688 17.188 1.00 0.00 C ATOM 200 CG ASP A 14 18.097 11.605 17.867 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.749 12.254 18.874 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.239 11.697 17.388 1.00 0.00 O ATOM 0 H ASP A 14 14.890 10.218 15.076 1.00 0.00 H new ATOM 0 HA ASP A 14 15.646 12.289 16.985 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.578 10.083 17.949 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.595 10.000 16.524 1.00 0.00 H new ATOM 207 N LYS A 15 17.655 12.796 15.095 1.00 0.00 N ATOM 208 CA LYS A 15 18.380 13.258 13.888 1.00 0.00 C ATOM 209 C LYS A 15 19.877 13.381 14.208 1.00 0.00 C ATOM 210 O LYS A 15 20.259 13.422 15.382 1.00 0.00 O ATOM 211 CB LYS A 15 17.772 14.601 13.356 1.00 0.00 C ATOM 212 CG LYS A 15 18.155 15.888 14.134 1.00 0.00 C ATOM 213 CD LYS A 15 19.380 16.626 13.527 1.00 0.00 C ATOM 214 CE LYS A 15 19.897 17.758 14.429 1.00 0.00 C ATOM 215 NZ LYS A 15 18.876 18.809 14.647 1.00 0.00 N ATOM 0 H LYS A 15 18.076 13.107 15.970 1.00 0.00 H new ATOM 0 HA LYS A 15 18.266 12.526 13.088 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.077 14.726 12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.686 14.510 13.360 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.301 16.565 14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.372 15.628 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.183 15.909 13.355 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.106 17.037 12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.201 17.344 15.390 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.784 18.203 13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 19.279 19.568 15.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.579 19.200 13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.053 18.398 15.132 1.00 0.00 H new ATOM 229 N ARG A 16 20.722 13.465 13.164 1.00 0.00 N ATOM 230 CA ARG A 16 22.177 13.593 13.335 1.00 0.00 C ATOM 231 C ARG A 16 22.839 14.048 12.022 1.00 0.00 C ATOM 232 O ARG A 16 22.187 14.128 10.971 1.00 0.00 O ATOM 233 CB ARG A 16 22.779 12.249 13.865 1.00 0.00 C ATOM 234 CG ARG A 16 22.840 11.073 12.838 1.00 0.00 C ATOM 235 CD ARG A 16 24.261 10.834 12.306 1.00 0.00 C ATOM 236 NE ARG A 16 24.342 9.777 11.283 1.00 0.00 N ATOM 237 CZ ARG A 16 25.439 9.061 11.008 1.00 0.00 C ATOM 238 NH1 ARG A 16 26.553 9.216 11.713 1.00 0.00 N ATOM 239 NH2 ARG A 16 25.420 8.195 10.015 1.00 0.00 N ATOM 0 H ARG A 16 20.418 13.446 12.190 1.00 0.00 H new ATOM 0 HA ARG A 16 22.383 14.361 14.080 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.789 12.443 14.225 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.192 11.925 14.724 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.474 10.162 13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 16 22.174 11.289 12.003 1.00 0.00 H new ATOM 0 HD2 ARG A 16 24.643 11.764 11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.912 10.571 13.140 1.00 0.00 H new ATOM 0 HE ARG A 16 23.500 9.576 10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 16 26.583 9.889 12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 16 27.379 8.662 11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.572 8.073 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 16 26.253 7.647 9.801 1.00 0.00 H new ATOM 253 N LYS A 17 24.135 14.360 12.109 1.00 0.00 N ATOM 254 CA LYS A 17 24.972 14.745 10.963 1.00 0.00 C ATOM 255 C LYS A 17 25.815 13.524 10.550 1.00 0.00 C ATOM 256 O LYS A 17 26.520 12.965 11.392 1.00 0.00 O ATOM 257 CB LYS A 17 25.898 15.957 11.346 1.00 0.00 C ATOM 258 CG LYS A 17 26.214 16.957 10.198 1.00 0.00 C ATOM 259 CD LYS A 17 25.228 18.153 10.091 1.00 0.00 C ATOM 260 CE LYS A 17 23.813 17.765 9.631 1.00 0.00 C ATOM 261 NZ LYS A 17 22.925 18.948 9.529 1.00 0.00 N ATOM 0 H LYS A 17 24.644 14.353 12.993 1.00 0.00 H new ATOM 0 HA LYS A 17 24.345 15.059 10.128 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.427 16.506 12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.840 15.564 11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.222 17.346 10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 17 26.212 16.416 9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.161 18.642 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.636 18.885 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.869 17.268 8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.386 17.049 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.387 18.903 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.265 18.957 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.499 19.815 9.542 1.00 0.00 H new ATOM 275 N ASN A 18 25.709 13.092 9.278 1.00 0.00 N ATOM 276 CA ASN A 18 26.505 11.963 8.707 1.00 0.00 C ATOM 277 C ASN A 18 28.029 12.233 8.819 1.00 0.00 C ATOM 278 O ASN A 18 28.436 13.359 9.105 1.00 0.00 O ATOM 279 CB ASN A 18 26.084 11.752 7.221 1.00 0.00 C ATOM 280 CG ASN A 18 26.711 10.529 6.533 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.744 10.634 5.873 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.093 9.364 6.702 1.00 0.00 N ATOM 0 H ASN A 18 25.068 13.512 8.605 1.00 0.00 H new ATOM 0 HA ASN A 18 26.300 11.057 9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.999 11.658 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.350 12.644 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.474 8.518 6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.238 9.316 7.256 1.00 0.00 H new ATOM 289 N LYS A 19 28.868 11.198 8.582 1.00 0.00 N ATOM 290 CA LYS A 19 30.352 11.335 8.562 1.00 0.00 C ATOM 291 C LYS A 19 30.826 12.389 7.521 1.00 0.00 C ATOM 292 O LYS A 19 31.883 13.002 7.679 1.00 0.00 O ATOM 293 CB LYS A 19 31.012 9.933 8.317 1.00 0.00 C ATOM 294 CG LYS A 19 30.591 9.202 7.008 1.00 0.00 C ATOM 295 CD LYS A 19 31.445 9.576 5.771 1.00 0.00 C ATOM 296 CE LYS A 19 30.838 9.051 4.461 1.00 0.00 C ATOM 297 NZ LYS A 19 30.643 7.578 4.472 1.00 0.00 N ATOM 0 H LYS A 19 28.543 10.248 8.400 1.00 0.00 H new ATOM 0 HA LYS A 19 30.676 11.704 9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 19 32.095 10.059 8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.774 9.288 9.163 1.00 0.00 H new ATOM 0 HG2 LYS A 19 30.656 8.126 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.546 9.430 6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 19 31.543 10.660 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 19 32.450 9.171 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.879 9.539 4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 19 31.489 9.322 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.311 7.265 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.545 7.110 4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.936 7.327 5.192 1.00 0.00 H new ATOM 311 N LYS A 20 30.016 12.576 6.454 1.00 0.00 N ATOM 312 CA LYS A 20 30.261 13.578 5.380 1.00 0.00 C ATOM 313 C LYS A 20 29.445 14.877 5.634 1.00 0.00 C ATOM 314 O LYS A 20 29.254 15.694 4.724 1.00 0.00 O ATOM 315 CB LYS A 20 29.942 12.940 3.973 1.00 0.00 C ATOM 316 CG LYS A 20 31.137 12.936 2.976 1.00 0.00 C ATOM 317 CD LYS A 20 31.587 14.354 2.550 1.00 0.00 C ATOM 318 CE LYS A 20 30.507 15.111 1.754 1.00 0.00 C ATOM 319 NZ LYS A 20 30.933 16.483 1.391 1.00 0.00 N ATOM 0 H LYS A 20 29.165 12.033 6.309 1.00 0.00 H new ATOM 0 HA LYS A 20 31.313 13.863 5.389 1.00 0.00 H new ATOM 0 HB2 LYS A 20 29.607 11.913 4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 20 29.112 13.484 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 31.980 12.417 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 20 30.858 12.369 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 20 31.847 14.930 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 20 32.490 14.277 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 20 30.271 14.555 0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 20 29.592 15.161 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 30.174 16.952 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 31.134 17.024 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 31.791 16.436 0.805 1.00 0.00 H new ATOM 333 N GLY A 21 29.000 15.048 6.889 1.00 0.00 N ATOM 334 CA GLY A 21 28.274 16.237 7.334 1.00 0.00 C ATOM 335 C GLY A 21 26.931 16.454 6.634 1.00 0.00 C ATOM 336 O GLY A 21 26.515 17.595 6.410 1.00 0.00 O ATOM 0 H GLY A 21 29.138 14.356 7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 21 28.103 16.163 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.901 17.113 7.171 1.00 0.00 H new ATOM 340 N LYS A 22 26.248 15.350 6.288 1.00 0.00 N ATOM 341 CA LYS A 22 24.925 15.405 5.639 1.00 0.00 C ATOM 342 C LYS A 22 23.806 15.462 6.687 1.00 0.00 C ATOM 343 O LYS A 22 23.933 14.906 7.778 1.00 0.00 O ATOM 344 CB LYS A 22 24.713 14.180 4.711 1.00 0.00 C ATOM 345 CG LYS A 22 25.701 14.090 3.531 1.00 0.00 C ATOM 346 CD LYS A 22 25.633 15.318 2.587 1.00 0.00 C ATOM 347 CE LYS A 22 26.502 15.151 1.330 1.00 0.00 C ATOM 348 NZ LYS A 22 26.051 14.011 0.485 1.00 0.00 N ATOM 0 H LYS A 22 26.592 14.403 6.448 1.00 0.00 H new ATOM 0 HA LYS A 22 24.889 16.312 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.795 13.271 5.307 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.698 14.211 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.715 13.994 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.492 13.187 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.598 15.484 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.955 16.207 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.472 16.070 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 22 27.540 14.995 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.525 14.056 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 26.292 13.115 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 25.021 14.065 0.350 1.00 0.00 H new ATOM 362 N TRP A 23 22.727 16.164 6.342 1.00 0.00 N ATOM 363 CA TRP A 23 21.499 16.207 7.145 1.00 0.00 C ATOM 364 C TRP A 23 20.816 14.827 7.100 1.00 0.00 C ATOM 365 O TRP A 23 20.386 14.385 6.029 1.00 0.00 O ATOM 366 CB TRP A 23 20.529 17.296 6.606 1.00 0.00 C ATOM 367 CG TRP A 23 20.976 18.728 6.784 1.00 0.00 C ATOM 368 CD1 TRP A 23 22.031 19.345 6.174 1.00 0.00 C ATOM 369 CD2 TRP A 23 20.345 19.725 7.602 1.00 0.00 C ATOM 370 NE1 TRP A 23 22.096 20.657 6.562 1.00 0.00 N ATOM 371 CE2 TRP A 23 21.075 20.915 7.441 1.00 0.00 C ATOM 372 CE3 TRP A 23 19.234 19.721 8.455 1.00 0.00 C ATOM 373 CZ2 TRP A 23 20.733 22.093 8.100 1.00 0.00 C ATOM 374 CZ3 TRP A 23 18.895 20.889 9.112 1.00 0.00 C ATOM 375 CH2 TRP A 23 19.641 22.062 8.929 1.00 0.00 C ATOM 0 H TRP A 23 22.677 16.724 5.491 1.00 0.00 H new ATOM 0 HA TRP A 23 21.756 16.458 8.174 1.00 0.00 H new ATOM 0 HB2 TRP A 23 20.367 17.116 5.543 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.565 17.173 7.100 1.00 0.00 H new ATOM 0 HD1 TRP A 23 22.714 18.868 5.486 1.00 0.00 H new ATOM 0 HE1 TRP A 23 22.792 21.333 6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 23 18.653 18.822 8.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 21.307 22.998 7.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 18.043 20.898 9.776 1.00 0.00 H new ATOM 0 HH2 TRP A 23 19.349 22.961 9.452 1.00 0.00 H new ATOM 386 N GLU A 24 20.766 14.141 8.251 1.00 0.00 N ATOM 387 CA GLU A 24 20.058 12.858 8.394 1.00 0.00 C ATOM 388 C GLU A 24 19.103 12.924 9.586 1.00 0.00 C ATOM 389 O GLU A 24 19.304 13.714 10.515 1.00 0.00 O ATOM 390 CB GLU A 24 21.052 11.683 8.583 1.00 0.00 C ATOM 391 CG GLU A 24 21.992 11.434 7.388 1.00 0.00 C ATOM 392 CD GLU A 24 22.768 10.109 7.507 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.510 9.936 8.493 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.638 9.231 6.623 1.00 0.00 O ATOM 0 H GLU A 24 21.215 14.459 9.110 1.00 0.00 H new ATOM 0 HA GLU A 24 19.493 12.680 7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.657 11.876 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.484 10.773 8.777 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.408 11.427 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.700 12.259 7.310 1.00 0.00 H new ATOM 401 N TYR A 25 18.051 12.111 9.523 1.00 0.00 N ATOM 402 CA TYR A 25 17.087 11.913 10.609 1.00 0.00 C ATOM 403 C TYR A 25 16.995 10.411 10.908 1.00 0.00 C ATOM 404 O TYR A 25 16.853 9.602 9.990 1.00 0.00 O ATOM 405 CB TYR A 25 15.689 12.490 10.230 1.00 0.00 C ATOM 406 CG TYR A 25 15.523 14.008 10.443 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.276 14.932 9.721 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.607 14.516 11.374 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.121 16.291 9.916 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.450 15.877 11.561 1.00 0.00 C ATOM 411 CZ TYR A 25 15.213 16.755 10.833 1.00 0.00 C ATOM 412 OH TYR A 25 15.063 18.109 11.018 1.00 0.00 O ATOM 0 H TYR A 25 17.838 11.556 8.694 1.00 0.00 H new ATOM 0 HA TYR A 25 17.424 12.447 11.498 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.493 12.263 9.182 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.930 11.972 10.816 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.994 14.579 8.996 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.011 13.830 11.958 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.716 16.989 9.345 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.731 16.247 12.276 1.00 0.00 H new ATOM 0 HH TYR A 25 14.380 18.272 11.701 1.00 0.00 H new ATOM 422 N LEU A 26 17.116 10.058 12.196 1.00 0.00 N ATOM 423 CA LEU A 26 16.900 8.697 12.675 1.00 0.00 C ATOM 424 C LEU A 26 15.382 8.446 12.676 1.00 0.00 C ATOM 425 O LEU A 26 14.662 9.028 13.477 1.00 0.00 O ATOM 426 CB LEU A 26 17.501 8.529 14.102 1.00 0.00 C ATOM 427 CG LEU A 26 17.656 7.068 14.615 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.616 6.261 13.723 1.00 0.00 C ATOM 429 CD2 LEU A 26 18.113 7.038 16.092 1.00 0.00 C ATOM 0 H LEU A 26 17.368 10.716 12.933 1.00 0.00 H new ATOM 0 HA LEU A 26 17.396 7.972 12.030 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.482 9.004 14.119 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.871 9.074 14.805 1.00 0.00 H new ATOM 0 HG LEU A 26 16.675 6.595 14.560 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.703 5.245 14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.228 6.231 12.705 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.598 6.734 13.724 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.212 6.004 16.421 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.075 7.542 16.186 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.375 7.547 16.712 1.00 0.00 H new ATOM 441 N ILE A 27 14.910 7.666 11.706 1.00 0.00 N ATOM 442 CA ILE A 27 13.483 7.354 11.518 1.00 0.00 C ATOM 443 C ILE A 27 13.219 5.894 11.912 1.00 0.00 C ATOM 444 O ILE A 27 14.098 5.041 11.799 1.00 0.00 O ATOM 445 CB ILE A 27 13.049 7.553 10.008 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.578 8.897 9.408 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.513 7.451 9.840 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.948 10.144 9.976 1.00 0.00 C ATOM 0 H ILE A 27 15.513 7.222 11.014 1.00 0.00 H new ATOM 0 HA ILE A 27 12.905 8.032 12.147 1.00 0.00 H new ATOM 0 HB ILE A 27 13.511 6.741 9.447 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.655 8.948 9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.415 8.885 8.330 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.251 7.593 8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 27 11.176 6.468 10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.029 8.221 10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.381 11.022 9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.874 10.124 9.794 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.133 10.189 11.049 1.00 0.00 H new ATOM 460 N ARG A 28 11.993 5.623 12.361 1.00 0.00 N ATOM 461 CA ARG A 28 11.494 4.265 12.606 1.00 0.00 C ATOM 462 C ARG A 28 10.352 3.972 11.615 1.00 0.00 C ATOM 463 O ARG A 28 9.547 4.863 11.316 1.00 0.00 O ATOM 464 CB ARG A 28 11.005 4.129 14.067 1.00 0.00 C ATOM 465 CG ARG A 28 9.945 5.161 14.502 1.00 0.00 C ATOM 466 CD ARG A 28 9.241 4.784 15.812 1.00 0.00 C ATOM 467 NE ARG A 28 10.134 4.696 16.975 1.00 0.00 N ATOM 468 CZ ARG A 28 9.786 4.163 18.154 1.00 0.00 C ATOM 469 NH1 ARG A 28 8.575 3.632 18.336 1.00 0.00 N ATOM 470 NH2 ARG A 28 10.642 4.165 19.152 1.00 0.00 N ATOM 0 H ARG A 28 11.307 6.349 12.568 1.00 0.00 H new ATOM 0 HA ARG A 28 12.296 3.542 12.456 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.593 3.129 14.204 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.865 4.213 14.731 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.421 6.135 14.619 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.200 5.263 13.713 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.465 5.521 16.019 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.741 3.825 15.679 1.00 0.00 H new ATOM 0 HE ARG A 28 11.080 5.064 16.879 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.900 3.628 17.572 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.325 3.230 19.239 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.569 4.572 19.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.379 3.760 20.050 1.00 0.00 H new ATOM 484 N TRP A 29 10.302 2.731 11.097 1.00 0.00 N ATOM 485 CA TRP A 29 9.256 2.267 10.161 1.00 0.00 C ATOM 486 C TRP A 29 8.273 1.331 10.879 1.00 0.00 C ATOM 487 O TRP A 29 8.629 0.657 11.868 1.00 0.00 O ATOM 488 CB TRP A 29 9.846 1.512 8.934 1.00 0.00 C ATOM 489 CG TRP A 29 10.769 2.309 8.033 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.891 3.668 7.930 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.677 1.755 7.073 1.00 0.00 C ATOM 492 NE1 TRP A 29 11.824 3.984 6.975 1.00 0.00 N ATOM 493 CE2 TRP A 29 12.320 2.823 6.439 1.00 0.00 C ATOM 494 CE3 TRP A 29 12.010 0.447 6.700 1.00 0.00 C ATOM 495 CZ2 TRP A 29 13.275 2.630 5.447 1.00 0.00 C ATOM 496 CZ3 TRP A 29 12.958 0.260 5.713 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.586 1.347 5.100 1.00 0.00 C ATOM 0 H TRP A 29 10.993 2.013 11.317 1.00 0.00 H new ATOM 0 HA TRP A 29 8.745 3.161 9.803 1.00 0.00 H new ATOM 0 HB2 TRP A 29 10.392 0.642 9.298 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.018 1.140 8.331 1.00 0.00 H new ATOM 0 HD1 TRP A 29 10.335 4.386 8.514 1.00 0.00 H new ATOM 0 HE1 TRP A 29 12.103 4.928 6.707 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.535 -0.399 7.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.756 3.469 4.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.218 -0.743 5.410 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.331 1.169 4.338 1.00 0.00 H new ATOM 508 N LYS A 30 7.050 1.261 10.327 1.00 0.00 N ATOM 509 CA LYS A 30 5.991 0.381 10.827 1.00 0.00 C ATOM 510 C LYS A 30 6.412 -1.094 10.642 1.00 0.00 C ATOM 511 O LYS A 30 7.004 -1.449 9.612 1.00 0.00 O ATOM 512 CB LYS A 30 4.663 0.654 10.072 1.00 0.00 C ATOM 513 CG LYS A 30 3.446 -0.131 10.625 1.00 0.00 C ATOM 514 CD LYS A 30 2.220 -0.099 9.683 1.00 0.00 C ATOM 515 CE LYS A 30 2.489 -0.830 8.356 1.00 0.00 C ATOM 516 NZ LYS A 30 1.312 -0.780 7.458 1.00 0.00 N ATOM 0 H LYS A 30 6.771 1.817 9.519 1.00 0.00 H new ATOM 0 HA LYS A 30 5.835 0.580 11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.444 1.721 10.118 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.797 0.401 9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.738 -1.167 10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.163 0.284 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.367 -0.559 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.949 0.936 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.347 -0.378 7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.749 -1.869 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.510 -1.325 6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.488 -1.188 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.111 0.208 7.204 1.00 0.00 H new ATOM 530 N GLY A 31 6.118 -1.928 11.646 1.00 0.00 N ATOM 531 CA GLY A 31 6.490 -3.339 11.638 1.00 0.00 C ATOM 532 C GLY A 31 7.643 -3.646 12.586 1.00 0.00 C ATOM 533 O GLY A 31 7.744 -4.770 13.090 1.00 0.00 O ATOM 0 H GLY A 31 5.615 -1.639 12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.625 -3.941 11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.769 -3.632 10.626 1.00 0.00 H new ATOM 537 N TYR A 32 8.531 -2.651 12.833 1.00 0.00 N ATOM 538 CA TYR A 32 9.722 -2.844 13.699 1.00 0.00 C ATOM 539 C TYR A 32 9.801 -1.767 14.797 1.00 0.00 C ATOM 540 O TYR A 32 10.192 -2.058 15.942 1.00 0.00 O ATOM 541 CB TYR A 32 11.017 -2.870 12.837 1.00 0.00 C ATOM 542 CG TYR A 32 11.155 -4.128 11.964 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.578 -4.197 10.690 1.00 0.00 C ATOM 544 CD2 TYR A 32 11.841 -5.255 12.425 1.00 0.00 C ATOM 545 CE1 TYR A 32 10.690 -5.335 9.912 1.00 0.00 C ATOM 546 CE2 TYR A 32 11.954 -6.390 11.647 1.00 0.00 C ATOM 547 CZ TYR A 32 11.376 -6.426 10.395 1.00 0.00 C ATOM 548 OH TYR A 32 11.483 -7.570 9.629 1.00 0.00 O ATOM 0 H TYR A 32 8.446 -1.711 12.447 1.00 0.00 H new ATOM 0 HA TYR A 32 9.625 -3.806 14.201 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.033 -1.990 12.195 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.883 -2.799 13.496 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.035 -3.345 10.308 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.291 -5.238 13.407 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.241 -5.367 8.930 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.494 -7.248 12.018 1.00 0.00 H new ATOM 0 HH TYR A 32 12.000 -8.244 10.118 1.00 0.00 H new ATOM 558 N GLY A 33 9.436 -0.531 14.435 1.00 0.00 N ATOM 559 CA GLY A 33 9.422 0.590 15.377 1.00 0.00 C ATOM 560 C GLY A 33 10.816 0.960 15.866 1.00 0.00 C ATOM 561 O GLY A 33 11.670 1.318 15.056 1.00 0.00 O ATOM 0 H GLY A 33 9.145 -0.283 13.489 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.967 1.457 14.898 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.797 0.334 16.232 1.00 0.00 H new ATOM 565 N SER A 34 11.053 0.816 17.181 1.00 0.00 N ATOM 566 CA SER A 34 12.302 1.245 17.847 1.00 0.00 C ATOM 567 C SER A 34 13.539 0.558 17.233 1.00 0.00 C ATOM 568 O SER A 34 14.524 1.219 16.914 1.00 0.00 O ATOM 569 CB SER A 34 12.221 0.939 19.362 1.00 0.00 C ATOM 570 OG SER A 34 11.004 1.406 19.911 1.00 0.00 O ATOM 0 H SER A 34 10.379 0.395 17.820 1.00 0.00 H new ATOM 0 HA SER A 34 12.411 2.319 17.697 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.308 -0.135 19.524 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.060 1.408 19.876 1.00 0.00 H new ATOM 0 HG SER A 34 10.976 1.199 20.869 1.00 0.00 H new ATOM 576 N THR A 35 13.429 -0.766 17.001 1.00 0.00 N ATOM 577 CA THR A 35 14.544 -1.604 16.506 1.00 0.00 C ATOM 578 C THR A 35 14.833 -1.370 14.994 1.00 0.00 C ATOM 579 O THR A 35 15.794 -1.913 14.443 1.00 0.00 O ATOM 580 CB THR A 35 14.257 -3.127 16.789 1.00 0.00 C ATOM 581 OG1 THR A 35 15.414 -3.921 16.486 1.00 0.00 O ATOM 582 CG2 THR A 35 13.060 -3.666 15.994 1.00 0.00 C ATOM 0 H THR A 35 12.565 -1.286 17.151 1.00 0.00 H new ATOM 0 HA THR A 35 15.439 -1.305 17.051 1.00 0.00 H new ATOM 0 HB THR A 35 14.014 -3.200 17.849 1.00 0.00 H new ATOM 0 HG1 THR A 35 15.905 -3.513 15.742 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.911 -4.720 16.230 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.164 -3.104 16.259 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.253 -3.557 14.927 1.00 0.00 H new ATOM 590 N GLU A 36 13.986 -0.556 14.336 1.00 0.00 N ATOM 591 CA GLU A 36 14.152 -0.193 12.912 1.00 0.00 C ATOM 592 C GLU A 36 15.168 0.945 12.731 1.00 0.00 C ATOM 593 O GLU A 36 15.835 0.995 11.685 1.00 0.00 O ATOM 594 CB GLU A 36 12.797 0.244 12.291 1.00 0.00 C ATOM 595 CG GLU A 36 12.845 0.483 10.767 1.00 0.00 C ATOM 596 CD GLU A 36 13.015 -0.805 9.939 1.00 0.00 C ATOM 597 OE1 GLU A 36 11.997 -1.437 9.603 1.00 0.00 O ATOM 598 OE2 GLU A 36 14.164 -1.188 9.620 1.00 0.00 O ATOM 0 H GLU A 36 13.168 -0.131 14.774 1.00 0.00 H new ATOM 0 HA GLU A 36 14.522 -1.082 12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.050 -0.520 12.504 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.465 1.160 12.780 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.927 0.983 10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.669 1.160 10.541 1.00 0.00 H new ATOM 605 N ASP A 37 15.273 1.804 13.776 1.00 0.00 N ATOM 606 CA ASP A 37 15.931 3.139 13.743 1.00 0.00 C ATOM 607 C ASP A 37 17.098 3.243 12.716 1.00 0.00 C ATOM 608 O ASP A 37 18.150 2.600 12.852 1.00 0.00 O ATOM 609 CB ASP A 37 16.373 3.558 15.179 1.00 0.00 C ATOM 610 CG ASP A 37 17.506 2.699 15.784 1.00 0.00 C ATOM 611 OD1 ASP A 37 17.252 1.529 16.132 1.00 0.00 O ATOM 612 OD2 ASP A 37 18.654 3.193 15.902 1.00 0.00 O ATOM 0 H ASP A 37 14.891 1.581 14.695 1.00 0.00 H new ATOM 0 HA ASP A 37 15.185 3.848 13.385 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.698 4.598 15.155 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.507 3.510 15.839 1.00 0.00 H new ATOM 617 N THR A 38 16.863 4.035 11.659 1.00 0.00 N ATOM 618 CA THR A 38 17.735 4.123 10.477 1.00 0.00 C ATOM 619 C THR A 38 17.910 5.597 10.069 1.00 0.00 C ATOM 620 O THR A 38 16.972 6.383 10.170 1.00 0.00 O ATOM 621 CB THR A 38 17.118 3.292 9.293 1.00 0.00 C ATOM 622 OG1 THR A 38 17.926 3.410 8.109 1.00 0.00 O ATOM 623 CG2 THR A 38 15.652 3.696 8.976 1.00 0.00 C ATOM 0 H THR A 38 16.047 4.644 11.600 1.00 0.00 H new ATOM 0 HA THR A 38 18.714 3.708 10.718 1.00 0.00 H new ATOM 0 HB THR A 38 17.106 2.252 9.621 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.525 2.884 7.386 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.278 3.090 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.031 3.533 9.857 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.617 4.749 8.698 1.00 0.00 H new ATOM 631 N TRP A 39 19.111 5.964 9.606 1.00 0.00 N ATOM 632 CA TRP A 39 19.413 7.353 9.220 1.00 0.00 C ATOM 633 C TRP A 39 18.989 7.594 7.764 1.00 0.00 C ATOM 634 O TRP A 39 19.677 7.168 6.837 1.00 0.00 O ATOM 635 CB TRP A 39 20.911 7.665 9.417 1.00 0.00 C ATOM 636 CG TRP A 39 21.364 7.588 10.851 1.00 0.00 C ATOM 637 CD1 TRP A 39 20.873 8.307 11.902 1.00 0.00 C ATOM 638 CD2 TRP A 39 22.415 6.769 11.383 1.00 0.00 C ATOM 639 NE1 TRP A 39 21.542 7.972 13.051 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.496 7.036 12.758 1.00 0.00 C ATOM 641 CE3 TRP A 39 23.285 5.830 10.831 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.420 6.406 13.585 1.00 0.00 C ATOM 643 CZ3 TRP A 39 24.206 5.207 11.649 1.00 0.00 C ATOM 644 CH2 TRP A 39 24.265 5.494 13.018 1.00 0.00 C ATOM 0 H TRP A 39 19.893 5.319 9.488 1.00 0.00 H new ATOM 0 HA TRP A 39 18.848 8.027 9.864 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.499 6.967 8.822 1.00 0.00 H new ATOM 0 HB3 TRP A 39 21.118 8.664 9.033 1.00 0.00 H new ATOM 0 HD1 TRP A 39 20.076 9.032 11.838 1.00 0.00 H new ATOM 0 HE1 TRP A 39 21.358 8.359 13.977 1.00 0.00 H new ATOM 0 HE3 TRP A 39 23.239 5.593 9.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 23.468 6.630 14.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 24.891 4.487 11.226 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.990 4.986 13.636 1.00 0.00 H new ATOM 655 N GLU A 40 17.803 8.205 7.579 1.00 0.00 N ATOM 656 CA GLU A 40 17.298 8.587 6.250 1.00 0.00 C ATOM 657 C GLU A 40 17.624 10.076 5.975 1.00 0.00 C ATOM 658 O GLU A 40 17.487 10.905 6.881 1.00 0.00 O ATOM 659 CB GLU A 40 15.768 8.312 6.141 1.00 0.00 C ATOM 660 CG GLU A 40 15.382 6.853 6.465 1.00 0.00 C ATOM 661 CD GLU A 40 13.959 6.467 6.044 1.00 0.00 C ATOM 662 OE1 GLU A 40 12.987 6.893 6.698 1.00 0.00 O ATOM 663 OE2 GLU A 40 13.814 5.710 5.064 1.00 0.00 O ATOM 0 H GLU A 40 17.172 8.446 8.344 1.00 0.00 H new ATOM 0 HA GLU A 40 17.793 7.980 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.237 8.980 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.434 8.553 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.088 6.185 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 40 15.487 6.692 7.538 1.00 0.00 H new ATOM 670 N PRO A 41 18.069 10.431 4.723 1.00 0.00 N ATOM 671 CA PRO A 41 18.453 11.823 4.349 1.00 0.00 C ATOM 672 C PRO A 41 17.283 12.807 4.507 1.00 0.00 C ATOM 673 O PRO A 41 16.174 12.488 4.112 1.00 0.00 O ATOM 674 CB PRO A 41 18.879 11.697 2.856 1.00 0.00 C ATOM 675 CG PRO A 41 18.241 10.428 2.378 1.00 0.00 C ATOM 676 CD PRO A 41 18.234 9.503 3.568 1.00 0.00 C ATOM 0 HA PRO A 41 19.242 12.219 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 41 18.538 12.554 2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 41 19.964 11.655 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.229 10.610 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 41 18.802 9.996 1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.419 8.782 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.160 8.933 3.639 1.00 0.00 H new ATOM 684 N GLU A 42 17.564 13.992 5.063 1.00 0.00 N ATOM 685 CA GLU A 42 16.548 15.021 5.371 1.00 0.00 C ATOM 686 C GLU A 42 15.822 15.486 4.090 1.00 0.00 C ATOM 687 O GLU A 42 14.606 15.609 4.070 1.00 0.00 O ATOM 688 CB GLU A 42 17.232 16.208 6.110 1.00 0.00 C ATOM 689 CG GLU A 42 16.302 17.323 6.673 1.00 0.00 C ATOM 690 CD GLU A 42 15.771 18.306 5.622 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.595 18.933 4.931 1.00 0.00 O ATOM 692 OE2 GLU A 42 14.538 18.461 5.473 1.00 0.00 O ATOM 0 H GLU A 42 18.512 14.272 5.317 1.00 0.00 H new ATOM 0 HA GLU A 42 15.787 14.595 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.813 15.802 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.939 16.672 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.455 16.853 7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.848 17.884 7.432 1.00 0.00 H new ATOM 699 N HIS A 43 16.574 15.699 2.998 1.00 0.00 N ATOM 700 CA HIS A 43 16.002 16.189 1.718 1.00 0.00 C ATOM 701 C HIS A 43 15.049 15.137 1.091 1.00 0.00 C ATOM 702 O HIS A 43 14.262 15.461 0.198 1.00 0.00 O ATOM 703 CB HIS A 43 17.143 16.595 0.738 1.00 0.00 C ATOM 704 CG HIS A 43 16.728 17.599 -0.316 1.00 0.00 C ATOM 705 ND1 HIS A 43 16.854 18.965 -0.144 1.00 0.00 N ATOM 706 CD2 HIS A 43 16.161 17.434 -1.534 1.00 0.00 C ATOM 707 CE1 HIS A 43 16.378 19.592 -1.202 1.00 0.00 C ATOM 708 NE2 HIS A 43 15.950 18.689 -2.061 1.00 0.00 N ATOM 0 H HIS A 43 17.581 15.541 2.969 1.00 0.00 H new ATOM 0 HA HIS A 43 15.404 17.077 1.922 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.970 17.010 1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.517 15.699 0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 43 15.919 16.493 -2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.345 20.663 -1.341 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.530 18.887 -2.969 1.00 0.00 H new ATOM 717 N HIS A 44 15.108 13.881 1.606 1.00 0.00 N ATOM 718 CA HIS A 44 14.322 12.747 1.086 1.00 0.00 C ATOM 719 C HIS A 44 13.544 12.013 2.210 1.00 0.00 C ATOM 720 O HIS A 44 12.928 10.989 1.919 1.00 0.00 O ATOM 721 CB HIS A 44 15.259 11.716 0.383 1.00 0.00 C ATOM 722 CG HIS A 44 16.017 12.223 -0.814 1.00 0.00 C ATOM 723 ND1 HIS A 44 15.705 11.866 -2.107 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.105 13.030 -0.907 1.00 0.00 C ATOM 725 CE1 HIS A 44 16.556 12.433 -2.941 1.00 0.00 C ATOM 726 NE2 HIS A 44 17.413 13.145 -2.239 1.00 0.00 N ATOM 0 H HIS A 44 15.705 13.633 2.395 1.00 0.00 H new ATOM 0 HA HIS A 44 13.606 13.160 0.376 1.00 0.00 H new ATOM 0 HB2 HIS A 44 15.978 11.350 1.116 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.658 10.861 0.072 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.630 13.495 -0.086 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.551 12.331 -4.016 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.182 13.694 -2.624 1.00 0.00 H new ATOM 735 N LEU A 45 13.560 12.524 3.475 1.00 0.00 N ATOM 736 CA LEU A 45 13.073 11.731 4.650 1.00 0.00 C ATOM 737 C LEU A 45 11.550 11.490 4.580 1.00 0.00 C ATOM 738 O LEU A 45 11.066 10.390 4.849 1.00 0.00 O ATOM 739 CB LEU A 45 13.466 12.392 6.030 1.00 0.00 C ATOM 740 CG LEU A 45 12.479 13.447 6.667 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.815 13.729 8.138 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.408 14.777 5.876 1.00 0.00 C ATOM 0 H LEU A 45 13.896 13.459 3.707 1.00 0.00 H new ATOM 0 HA LEU A 45 13.577 10.766 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.606 11.589 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.433 12.878 5.902 1.00 0.00 H new ATOM 0 HG LEU A 45 11.493 12.985 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.112 14.460 8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.743 12.805 8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.829 14.123 8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.712 15.456 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.397 15.233 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.065 14.579 4.861 1.00 0.00 H new ATOM 754 N LEU A 46 10.823 12.534 4.172 1.00 0.00 N ATOM 755 CA LEU A 46 9.352 12.576 4.160 1.00 0.00 C ATOM 756 C LEU A 46 8.885 13.469 3.008 1.00 0.00 C ATOM 757 O LEU A 46 9.662 14.256 2.452 1.00 0.00 O ATOM 758 CB LEU A 46 8.759 13.112 5.531 1.00 0.00 C ATOM 759 CG LEU A 46 8.214 12.057 6.556 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.298 11.028 5.864 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.333 11.382 7.384 1.00 0.00 C ATOM 0 H LEU A 46 11.248 13.396 3.832 1.00 0.00 H new ATOM 0 HA LEU A 46 8.986 11.558 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.537 13.691 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.948 13.802 5.298 1.00 0.00 H new ATOM 0 HG LEU A 46 7.608 12.605 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.936 10.310 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.450 11.542 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.859 10.503 5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.892 10.663 8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.021 10.866 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.876 12.140 7.948 1.00 0.00 H new ATOM 773 N HIS A 47 7.603 13.326 2.666 1.00 0.00 N ATOM 774 CA HIS A 47 6.899 14.234 1.746 1.00 0.00 C ATOM 775 C HIS A 47 6.321 15.426 2.538 1.00 0.00 C ATOM 776 O HIS A 47 6.134 16.517 1.988 1.00 0.00 O ATOM 777 CB HIS A 47 5.768 13.461 1.010 1.00 0.00 C ATOM 778 CG HIS A 47 5.030 14.283 -0.019 1.00 0.00 C ATOM 779 ND1 HIS A 47 5.508 14.489 -1.298 1.00 0.00 N ATOM 780 CD2 HIS A 47 3.853 14.958 0.045 1.00 0.00 C ATOM 781 CE1 HIS A 47 4.668 15.253 -1.966 1.00 0.00 C ATOM 782 NE2 HIS A 47 3.657 15.550 -1.179 1.00 0.00 N ATOM 0 H HIS A 47 7.015 12.571 3.021 1.00 0.00 H new ATOM 0 HA HIS A 47 7.597 14.617 1.001 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.198 12.587 0.521 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.054 13.094 1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.194 15.018 0.899 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.789 15.580 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.856 16.127 -1.436 1.00 0.00 H new ATOM 791 N CYS A 48 6.069 15.201 3.841 1.00 0.00 N ATOM 792 CA CYS A 48 5.369 16.148 4.716 1.00 0.00 C ATOM 793 C CYS A 48 6.261 16.527 5.914 1.00 0.00 C ATOM 794 O CYS A 48 6.782 15.649 6.615 1.00 0.00 O ATOM 795 CB CYS A 48 4.055 15.500 5.199 1.00 0.00 C ATOM 796 SG CYS A 48 3.019 14.833 3.870 1.00 0.00 S ATOM 0 H CYS A 48 6.351 14.344 4.317 1.00 0.00 H new ATOM 0 HA CYS A 48 5.142 17.061 4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.295 14.696 5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.481 16.242 5.754 1.00 0.00 H new ATOM 0 HG CYS A 48 1.943 14.310 4.379 1.00 0.00 H new ATOM 802 N GLU A 49 6.409 17.846 6.139 1.00 0.00 N ATOM 803 CA GLU A 49 7.160 18.421 7.280 1.00 0.00 C ATOM 804 C GLU A 49 6.401 18.188 8.620 1.00 0.00 C ATOM 805 O GLU A 49 6.937 18.442 9.698 1.00 0.00 O ATOM 806 CB GLU A 49 7.404 19.941 7.047 1.00 0.00 C ATOM 807 CG GLU A 49 8.403 20.599 8.032 1.00 0.00 C ATOM 808 CD GLU A 49 8.503 22.126 7.879 1.00 0.00 C ATOM 809 OE1 GLU A 49 9.158 22.600 6.928 1.00 0.00 O ATOM 810 OE2 GLU A 49 7.933 22.863 8.711 1.00 0.00 O ATOM 0 H GLU A 49 6.006 18.555 5.527 1.00 0.00 H new ATOM 0 HA GLU A 49 8.124 17.916 7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.771 20.084 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.449 20.463 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.102 20.363 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.390 20.162 7.882 1.00 0.00 H new ATOM 817 N GLU A 50 5.137 17.739 8.508 1.00 0.00 N ATOM 818 CA GLU A 50 4.248 17.399 9.652 1.00 0.00 C ATOM 819 C GLU A 50 4.955 16.459 10.652 1.00 0.00 C ATOM 820 O GLU A 50 4.932 16.684 11.866 1.00 0.00 O ATOM 821 CB GLU A 50 2.947 16.717 9.111 1.00 0.00 C ATOM 822 CG GLU A 50 2.304 17.405 7.883 1.00 0.00 C ATOM 823 CD GLU A 50 1.779 18.831 8.148 1.00 0.00 C ATOM 824 OE1 GLU A 50 2.582 19.795 8.147 1.00 0.00 O ATOM 825 OE2 GLU A 50 0.557 18.989 8.368 1.00 0.00 O ATOM 0 H GLU A 50 4.689 17.597 7.603 1.00 0.00 H new ATOM 0 HA GLU A 50 3.995 18.319 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.179 15.685 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.212 16.684 9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.039 17.446 7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.478 16.788 7.528 1.00 0.00 H new ATOM 832 N PHE A 51 5.609 15.430 10.099 1.00 0.00 N ATOM 833 CA PHE A 51 6.372 14.434 10.879 1.00 0.00 C ATOM 834 C PHE A 51 7.583 15.086 11.579 1.00 0.00 C ATOM 835 O PHE A 51 7.925 14.747 12.711 1.00 0.00 O ATOM 836 CB PHE A 51 6.844 13.271 9.969 1.00 0.00 C ATOM 837 CG PHE A 51 5.711 12.466 9.337 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.033 12.943 8.215 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.331 11.229 9.858 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.015 12.212 7.640 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.311 10.498 9.280 1.00 0.00 C ATOM 842 CZ PHE A 51 3.654 10.989 8.171 1.00 0.00 C ATOM 0 H PHE A 51 5.627 15.260 9.093 1.00 0.00 H new ATOM 0 HA PHE A 51 5.709 14.033 11.645 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.471 13.678 9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.469 12.597 10.555 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.309 13.897 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.841 10.837 10.725 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.499 12.596 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.028 9.542 9.696 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.858 10.417 7.718 1.00 0.00 H new ATOM 852 N ILE A 52 8.212 16.053 10.905 1.00 0.00 N ATOM 853 CA ILE A 52 9.354 16.799 11.456 1.00 0.00 C ATOM 854 C ILE A 52 8.864 17.665 12.638 1.00 0.00 C ATOM 855 O ILE A 52 9.541 17.772 13.671 1.00 0.00 O ATOM 856 CB ILE A 52 10.076 17.670 10.351 1.00 0.00 C ATOM 857 CG1 ILE A 52 10.755 16.758 9.262 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.119 18.638 10.974 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.817 15.977 8.343 1.00 0.00 C ATOM 0 H ILE A 52 7.947 16.343 9.964 1.00 0.00 H new ATOM 0 HA ILE A 52 10.100 16.091 11.817 1.00 0.00 H new ATOM 0 HB ILE A 52 9.308 18.272 9.866 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.395 17.386 8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.405 16.046 9.771 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.594 19.219 10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.620 19.312 11.670 1.00 0.00 H new ATOM 0 HG23 ILE A 52 11.877 18.063 11.506 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.405 15.388 7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.193 15.312 8.940 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.183 16.673 7.794 1.00 0.00 H new ATOM 871 N ASP A 53 7.625 18.184 12.507 1.00 0.00 N ATOM 872 CA ASP A 53 6.974 18.978 13.559 1.00 0.00 C ATOM 873 C ASP A 53 6.741 18.096 14.794 1.00 0.00 C ATOM 874 O ASP A 53 7.067 18.507 15.921 1.00 0.00 O ATOM 875 CB ASP A 53 5.633 19.578 13.057 1.00 0.00 C ATOM 876 CG ASP A 53 4.795 20.241 14.177 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.117 21.389 14.573 1.00 0.00 O ATOM 878 OD2 ASP A 53 3.804 19.627 14.653 1.00 0.00 O ATOM 0 H ASP A 53 7.054 18.063 11.671 1.00 0.00 H new ATOM 0 HA ASP A 53 7.627 19.809 13.827 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.842 20.318 12.284 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.043 18.789 12.591 1.00 0.00 H new ATOM 883 N GLU A 54 6.273 16.836 14.564 1.00 0.00 N ATOM 884 CA GLU A 54 5.935 15.934 15.679 1.00 0.00 C ATOM 885 C GLU A 54 7.228 15.530 16.388 1.00 0.00 C ATOM 886 O GLU A 54 7.230 15.351 17.603 1.00 0.00 O ATOM 887 CB GLU A 54 5.112 14.683 15.239 1.00 0.00 C ATOM 888 CG GLU A 54 5.914 13.527 14.630 1.00 0.00 C ATOM 889 CD GLU A 54 5.054 12.315 14.277 1.00 0.00 C ATOM 890 OE1 GLU A 54 4.437 12.309 13.184 1.00 0.00 O ATOM 891 OE2 GLU A 54 4.980 11.370 15.090 1.00 0.00 O ATOM 0 H GLU A 54 6.127 16.439 13.636 1.00 0.00 H new ATOM 0 HA GLU A 54 5.282 16.475 16.364 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.572 14.305 16.107 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.365 15.002 14.512 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.420 13.879 13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.689 13.222 15.333 1.00 0.00 H new ATOM 898 N PHE A 55 8.340 15.485 15.606 1.00 0.00 N ATOM 899 CA PHE A 55 9.685 15.212 16.128 1.00 0.00 C ATOM 900 C PHE A 55 10.076 16.323 17.104 1.00 0.00 C ATOM 901 O PHE A 55 10.465 16.048 18.238 1.00 0.00 O ATOM 902 CB PHE A 55 10.709 15.103 14.962 1.00 0.00 C ATOM 903 CG PHE A 55 12.179 15.179 15.375 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.731 14.234 16.233 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.006 16.206 14.909 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.052 14.318 16.614 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.332 16.281 15.292 1.00 0.00 C ATOM 908 CZ PHE A 55 14.855 15.337 16.144 1.00 0.00 C ATOM 0 H PHE A 55 8.317 15.638 14.598 1.00 0.00 H new ATOM 0 HA PHE A 55 9.687 14.259 16.657 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.543 14.160 14.441 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.508 15.901 14.247 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.118 13.426 16.604 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.603 16.952 14.240 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.463 13.580 17.287 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.957 17.081 14.922 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.891 15.393 16.444 1.00 0.00 H new ATOM 918 N ASN A 56 9.863 17.580 16.666 1.00 0.00 N ATOM 919 CA ASN A 56 10.226 18.786 17.433 1.00 0.00 C ATOM 920 C ASN A 56 9.403 18.862 18.737 1.00 0.00 C ATOM 921 O ASN A 56 9.771 19.573 19.683 1.00 0.00 O ATOM 922 CB ASN A 56 10.037 20.044 16.541 1.00 0.00 C ATOM 923 CG ASN A 56 10.573 21.340 17.163 1.00 0.00 C ATOM 924 OD1 ASN A 56 11.767 21.626 17.082 1.00 0.00 O ATOM 925 ND2 ASN A 56 9.694 22.151 17.737 1.00 0.00 N ATOM 0 H ASN A 56 9.432 17.787 15.765 1.00 0.00 H new ATOM 0 HA ASN A 56 11.275 18.738 17.724 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.537 19.878 15.587 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.975 20.168 16.327 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.001 23.042 18.128 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.711 21.884 17.788 1.00 0.00 H new ATOM 932 N GLY A 57 8.289 18.105 18.767 1.00 0.00 N ATOM 933 CA GLY A 57 7.536 17.881 19.986 1.00 0.00 C ATOM 934 C GLY A 57 8.154 16.771 20.847 1.00 0.00 C ATOM 935 O GLY A 57 8.639 17.037 21.944 1.00 0.00 O ATOM 0 H GLY A 57 7.900 17.641 17.946 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.494 18.806 20.562 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.509 17.616 19.734 1.00 0.00 H new ATOM 939 N LEU A 58 8.255 15.549 20.277 1.00 0.00 N ATOM 940 CA LEU A 58 8.467 14.291 21.052 1.00 0.00 C ATOM 941 C LEU A 58 9.919 14.151 21.535 1.00 0.00 C ATOM 942 O LEU A 58 10.192 13.410 22.482 1.00 0.00 O ATOM 943 CB LEU A 58 8.005 13.033 20.223 1.00 0.00 C ATOM 944 CG LEU A 58 8.713 12.753 18.837 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.090 12.040 18.968 1.00 0.00 C ATOM 946 CD2 LEU A 58 7.775 11.979 17.876 1.00 0.00 C ATOM 0 H LEU A 58 8.193 15.400 19.270 1.00 0.00 H new ATOM 0 HA LEU A 58 7.844 14.348 21.945 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.141 12.152 20.851 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.935 13.131 20.037 1.00 0.00 H new ATOM 0 HG LEU A 58 8.924 13.733 18.409 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.514 11.882 17.976 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.766 12.660 19.557 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.956 11.078 19.463 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.289 11.801 16.931 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.501 11.025 18.326 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.875 12.567 17.694 1.00 0.00 H new ATOM 958 N HIS A 59 10.831 14.862 20.863 1.00 0.00 N ATOM 959 CA HIS A 59 12.275 14.801 21.142 1.00 0.00 C ATOM 960 C HIS A 59 12.597 15.500 22.477 1.00 0.00 C ATOM 961 O HIS A 59 13.374 14.985 23.282 1.00 0.00 O ATOM 962 CB HIS A 59 13.050 15.455 19.972 1.00 0.00 C ATOM 963 CG HIS A 59 14.548 15.354 20.069 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.386 16.449 20.097 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.356 14.266 20.091 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.641 16.041 20.127 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.646 14.725 20.132 1.00 0.00 N ATOM 0 H HIS A 59 10.589 15.501 20.105 1.00 0.00 H new ATOM 0 HA HIS A 59 12.583 13.759 21.232 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.729 14.992 19.039 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.774 16.508 19.917 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.042 13.233 20.079 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.513 16.677 20.144 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.480 14.139 20.162 1.00 0.00 H new