USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=11 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= -0.547 K(o=-0.78,f=0.78) USER MOD Set 1.2: A 48 CYS SG : rot 7:sc= -0.233 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0347) USER MOD Single : A 17 LYS NZ :NH3+ 144:sc= 1.02 (180deg=0.278) USER MOD Single : A 18 ASN : amide:sc= 0.247 K(o=0.25,f=-3.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0228) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.117) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -112:sc= 0.44 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 10.246 4.808 1.801 1.00 0.00 N ATOM 51 CA LEU A 6 9.383 5.316 2.868 1.00 0.00 C ATOM 52 C LEU A 6 8.056 4.547 2.810 1.00 0.00 C ATOM 53 O LEU A 6 7.026 5.059 2.340 1.00 0.00 O ATOM 54 CB LEU A 6 9.193 6.852 2.684 1.00 0.00 C ATOM 55 CG LEU A 6 10.503 7.662 2.407 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.198 9.158 2.168 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.546 7.465 3.537 1.00 0.00 C ATOM 0 HA LEU A 6 9.824 5.163 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.501 7.019 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.721 7.253 3.581 1.00 0.00 H new ATOM 0 HG LEU A 6 10.944 7.268 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.128 9.693 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.538 9.262 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.712 9.576 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.442 8.043 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.126 7.805 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.805 6.409 3.613 1.00 0.00 H new ATOM 69 N TYR A 7 8.145 3.276 3.228 1.00 0.00 N ATOM 70 CA TYR A 7 7.027 2.318 3.222 1.00 0.00 C ATOM 71 C TYR A 7 5.796 2.865 3.985 1.00 0.00 C ATOM 72 O TYR A 7 4.814 3.302 3.375 1.00 0.00 O ATOM 73 CB TYR A 7 7.492 0.973 3.839 1.00 0.00 C ATOM 74 CG TYR A 7 8.641 0.285 3.098 1.00 0.00 C ATOM 75 CD1 TYR A 7 8.498 -0.144 1.774 1.00 0.00 C ATOM 76 CD2 TYR A 7 9.865 0.041 3.727 1.00 0.00 C ATOM 77 CE1 TYR A 7 9.533 -0.784 1.115 1.00 0.00 C ATOM 78 CE2 TYR A 7 10.897 -0.592 3.069 1.00 0.00 C ATOM 79 CZ TYR A 7 10.727 -1.004 1.766 1.00 0.00 C ATOM 80 OH TYR A 7 11.759 -1.646 1.113 1.00 0.00 O ATOM 0 H TYR A 7 9.012 2.876 3.587 1.00 0.00 H new ATOM 0 HA TYR A 7 6.722 2.160 2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.799 1.150 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 7 6.641 0.292 3.872 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.565 0.027 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.005 0.355 4.751 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.405 -1.110 0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 7 11.836 -0.764 3.574 1.00 0.00 H new ATOM 0 HH TYR A 7 12.530 -1.720 1.713 1.00 0.00 H new ATOM 90 N GLU A 8 5.891 2.850 5.317 1.00 0.00 N ATOM 91 CA GLU A 8 4.849 3.326 6.226 1.00 0.00 C ATOM 92 C GLU A 8 5.539 3.673 7.542 1.00 0.00 C ATOM 93 O GLU A 8 5.624 2.837 8.435 1.00 0.00 O ATOM 94 CB GLU A 8 3.741 2.238 6.412 1.00 0.00 C ATOM 95 CG GLU A 8 2.648 2.592 7.438 1.00 0.00 C ATOM 96 CD GLU A 8 1.540 1.530 7.546 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.738 0.513 8.251 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.468 1.702 6.924 1.00 0.00 O ATOM 0 H GLU A 8 6.715 2.498 5.804 1.00 0.00 H new ATOM 0 HA GLU A 8 4.343 4.206 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.267 2.054 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.216 1.305 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.109 2.725 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.199 3.547 7.164 1.00 0.00 H new ATOM 105 N VAL A 9 6.115 4.883 7.626 1.00 0.00 N ATOM 106 CA VAL A 9 6.877 5.306 8.812 1.00 0.00 C ATOM 107 C VAL A 9 5.949 5.438 10.033 1.00 0.00 C ATOM 108 O VAL A 9 4.793 5.854 9.891 1.00 0.00 O ATOM 109 CB VAL A 9 7.666 6.649 8.562 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.633 6.496 7.355 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.708 7.855 8.382 1.00 0.00 C ATOM 0 H VAL A 9 6.068 5.585 6.887 1.00 0.00 H new ATOM 0 HA VAL A 9 7.617 4.532 9.016 1.00 0.00 H new ATOM 0 HB VAL A 9 8.265 6.857 9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.169 7.432 7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.348 5.699 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.062 6.250 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.291 8.760 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.056 7.677 7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.103 7.976 9.280 1.00 0.00 H new ATOM 121 N GLU A 10 6.433 5.017 11.217 1.00 0.00 N ATOM 122 CA GLU A 10 5.763 5.318 12.478 1.00 0.00 C ATOM 123 C GLU A 10 5.954 6.807 12.759 1.00 0.00 C ATOM 124 O GLU A 10 4.968 7.539 12.906 1.00 0.00 O ATOM 125 CB GLU A 10 6.320 4.456 13.650 1.00 0.00 C ATOM 126 CG GLU A 10 5.672 4.776 15.019 1.00 0.00 C ATOM 127 CD GLU A 10 6.106 3.840 16.161 1.00 0.00 C ATOM 128 OE1 GLU A 10 5.545 2.733 16.276 1.00 0.00 O ATOM 129 OE2 GLU A 10 6.988 4.209 16.963 1.00 0.00 O ATOM 0 H GLU A 10 7.287 4.468 11.317 1.00 0.00 H new ATOM 0 HA GLU A 10 4.703 5.076 12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.163 3.402 13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.397 4.609 13.723 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.918 5.802 15.293 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.588 4.725 14.915 1.00 0.00 H new ATOM 136 N ARG A 11 7.242 7.236 12.760 1.00 0.00 N ATOM 137 CA ARG A 11 7.646 8.643 13.010 1.00 0.00 C ATOM 138 C ARG A 11 9.179 8.740 13.095 1.00 0.00 C ATOM 139 O ARG A 11 9.888 7.751 12.872 1.00 0.00 O ATOM 140 CB ARG A 11 6.993 9.204 14.319 1.00 0.00 C ATOM 141 CG ARG A 11 7.504 8.567 15.631 1.00 0.00 C ATOM 142 CD ARG A 11 6.447 8.531 16.748 1.00 0.00 C ATOM 143 NE ARG A 11 5.802 9.835 16.979 1.00 0.00 N ATOM 144 CZ ARG A 11 5.021 10.148 18.027 1.00 0.00 C ATOM 145 NH1 ARG A 11 4.797 9.274 19.002 1.00 0.00 N ATOM 146 NH2 ARG A 11 4.470 11.344 18.083 1.00 0.00 N ATOM 0 H ARG A 11 8.031 6.614 12.587 1.00 0.00 H new ATOM 0 HA ARG A 11 7.291 9.250 12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.169 10.279 14.363 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.914 9.060 14.259 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.839 7.550 15.426 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.373 9.124 15.982 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.684 7.795 16.494 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.917 8.196 17.673 1.00 0.00 H new ATOM 0 HE ARG A 11 5.962 10.564 16.283 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.221 8.347 18.963 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.201 9.530 19.789 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.639 12.019 17.337 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.875 11.595 18.873 1.00 0.00 H new ATOM 160 N ILE A 12 9.686 9.939 13.411 1.00 0.00 N ATOM 161 CA ILE A 12 11.115 10.163 13.619 1.00 0.00 C ATOM 162 C ILE A 12 11.503 9.771 15.063 1.00 0.00 C ATOM 163 O ILE A 12 10.806 10.115 16.031 1.00 0.00 O ATOM 164 CB ILE A 12 11.514 11.656 13.336 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.939 12.142 11.961 1.00 0.00 C ATOM 166 CG2 ILE A 12 13.056 11.845 13.398 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.463 13.490 11.491 1.00 0.00 C ATOM 0 H ILE A 12 9.115 10.776 13.528 1.00 0.00 H new ATOM 0 HA ILE A 12 11.660 9.536 12.913 1.00 0.00 H new ATOM 0 HB ILE A 12 11.072 12.273 14.118 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.169 11.394 11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.853 12.196 12.036 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.303 12.888 13.198 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.417 11.570 14.389 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.531 11.210 12.650 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.010 13.743 10.532 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.210 14.255 12.225 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.546 13.440 11.378 1.00 0.00 H new ATOM 179 N VAL A 13 12.587 9.000 15.167 1.00 0.00 N ATOM 180 CA VAL A 13 13.210 8.578 16.434 1.00 0.00 C ATOM 181 C VAL A 13 14.066 9.718 17.003 1.00 0.00 C ATOM 182 O VAL A 13 13.882 10.157 18.143 1.00 0.00 O ATOM 183 CB VAL A 13 14.156 7.336 16.195 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.825 6.830 17.494 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.424 6.196 15.477 1.00 0.00 C ATOM 0 H VAL A 13 13.075 8.638 14.348 1.00 0.00 H new ATOM 0 HA VAL A 13 12.413 8.314 17.129 1.00 0.00 H new ATOM 0 HB VAL A 13 14.956 7.690 15.545 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.463 5.976 17.266 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.428 7.628 17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.056 6.529 18.206 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.108 5.360 15.331 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.577 5.871 16.081 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.066 6.546 14.509 1.00 0.00 H new ATOM 195 N ASP A 14 14.976 10.198 16.147 1.00 0.00 N ATOM 196 CA ASP A 14 16.124 11.025 16.544 1.00 0.00 C ATOM 197 C ASP A 14 16.711 11.677 15.272 1.00 0.00 C ATOM 198 O ASP A 14 16.249 11.397 14.166 1.00 0.00 O ATOM 199 CB ASP A 14 17.170 10.128 17.282 1.00 0.00 C ATOM 200 CG ASP A 14 18.448 10.867 17.708 1.00 0.00 C ATOM 201 OD1 ASP A 14 18.344 11.813 18.522 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.548 10.518 17.220 1.00 0.00 O ATOM 0 H ASP A 14 14.936 10.021 15.143 1.00 0.00 H new ATOM 0 HA ASP A 14 15.827 11.817 17.232 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.702 9.697 18.167 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.444 9.298 16.630 1.00 0.00 H new ATOM 207 N LYS A 15 17.684 12.581 15.428 1.00 0.00 N ATOM 208 CA LYS A 15 18.471 13.103 14.307 1.00 0.00 C ATOM 209 C LYS A 15 19.867 13.494 14.811 1.00 0.00 C ATOM 210 O LYS A 15 20.105 13.599 16.020 1.00 0.00 O ATOM 211 CB LYS A 15 17.734 14.282 13.588 1.00 0.00 C ATOM 212 CG LYS A 15 17.652 15.609 14.382 1.00 0.00 C ATOM 213 CD LYS A 15 18.813 16.591 14.089 1.00 0.00 C ATOM 214 CE LYS A 15 18.853 17.744 15.108 1.00 0.00 C ATOM 215 NZ LYS A 15 17.550 18.464 15.209 1.00 0.00 N ATOM 0 H LYS A 15 17.947 12.970 16.333 1.00 0.00 H new ATOM 0 HA LYS A 15 18.588 12.326 13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.238 14.477 12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.720 13.960 13.349 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.707 16.101 14.151 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.642 15.383 15.448 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.760 16.052 14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.701 16.997 13.084 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.123 17.349 16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.633 18.450 14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.662 19.301 15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.244 18.763 14.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.835 17.831 15.620 1.00 0.00 H new ATOM 229 N ARG A 16 20.766 13.693 13.854 1.00 0.00 N ATOM 230 CA ARG A 16 22.186 14.012 14.068 1.00 0.00 C ATOM 231 C ARG A 16 22.767 14.520 12.741 1.00 0.00 C ATOM 232 O ARG A 16 22.038 14.649 11.749 1.00 0.00 O ATOM 233 CB ARG A 16 22.998 12.782 14.597 1.00 0.00 C ATOM 234 CG ARG A 16 22.985 11.508 13.703 1.00 0.00 C ATOM 235 CD ARG A 16 21.677 10.695 13.814 1.00 0.00 C ATOM 236 NE ARG A 16 21.736 9.438 13.060 1.00 0.00 N ATOM 237 CZ ARG A 16 21.525 8.203 13.561 1.00 0.00 C ATOM 238 NH1 ARG A 16 21.217 8.027 14.846 1.00 0.00 N ATOM 239 NH2 ARG A 16 21.628 7.158 12.764 1.00 0.00 N ATOM 0 H ARG A 16 20.523 13.636 12.865 1.00 0.00 H new ATOM 0 HA ARG A 16 22.264 14.780 14.837 1.00 0.00 H new ATOM 0 HB2 ARG A 16 24.034 13.091 14.736 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.610 12.514 15.580 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.135 11.801 12.664 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.825 10.871 13.979 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.475 10.478 14.863 1.00 0.00 H new ATOM 0 HD3 ARG A 16 20.846 11.297 13.447 1.00 0.00 H new ATOM 0 HE ARG A 16 21.957 9.504 12.066 1.00 0.00 H new ATOM 0 HH11 ARG A 16 21.138 8.833 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 16 21.061 7.087 15.209 1.00 0.00 H new ATOM 0 HH21 ARG A 16 21.865 7.288 11.780 1.00 0.00 H new ATOM 0 HH22 ARG A 16 21.471 6.219 13.131 1.00 0.00 H new ATOM 253 N LYS A 17 24.063 14.865 12.727 1.00 0.00 N ATOM 254 CA LYS A 17 24.753 15.270 11.492 1.00 0.00 C ATOM 255 C LYS A 17 25.307 14.016 10.784 1.00 0.00 C ATOM 256 O LYS A 17 25.946 13.175 11.423 1.00 0.00 O ATOM 257 CB LYS A 17 25.885 16.322 11.778 1.00 0.00 C ATOM 258 CG LYS A 17 25.897 17.574 10.842 1.00 0.00 C ATOM 259 CD LYS A 17 24.927 18.714 11.266 1.00 0.00 C ATOM 260 CE LYS A 17 23.434 18.390 11.043 1.00 0.00 C ATOM 261 NZ LYS A 17 22.553 19.455 11.557 1.00 0.00 N ATOM 0 H LYS A 17 24.655 14.872 13.557 1.00 0.00 H new ATOM 0 HA LYS A 17 24.037 15.761 10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.788 16.662 12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.850 15.821 11.698 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.911 17.973 10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.643 17.257 9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 17 25.085 18.937 12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.179 19.616 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.249 18.249 9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.190 17.449 11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.730 19.557 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.231 19.207 12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.077 20.353 11.590 1.00 0.00 H new ATOM 275 N ASN A 18 25.002 13.882 9.485 1.00 0.00 N ATOM 276 CA ASN A 18 25.574 12.849 8.591 1.00 0.00 C ATOM 277 C ASN A 18 27.100 13.080 8.410 1.00 0.00 C ATOM 278 O ASN A 18 27.609 14.157 8.759 1.00 0.00 O ATOM 279 CB ASN A 18 24.819 12.907 7.224 1.00 0.00 C ATOM 280 CG ASN A 18 25.245 11.845 6.205 1.00 0.00 C ATOM 281 OD1 ASN A 18 26.090 12.092 5.345 1.00 0.00 O ATOM 282 ND2 ASN A 18 24.690 10.646 6.324 1.00 0.00 N ATOM 0 H ASN A 18 24.340 14.497 9.012 1.00 0.00 H new ATOM 0 HA ASN A 18 25.448 11.858 9.026 1.00 0.00 H new ATOM 0 HB2 ASN A 18 23.750 12.802 7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.970 13.893 6.784 1.00 0.00 H new ATOM 0 HD21 ASN A 18 24.961 9.894 5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 18 23.993 10.477 7.049 1.00 0.00 H new ATOM 289 N LYS A 19 27.814 12.082 7.847 1.00 0.00 N ATOM 290 CA LYS A 19 29.274 12.163 7.578 1.00 0.00 C ATOM 291 C LYS A 19 29.627 13.331 6.628 1.00 0.00 C ATOM 292 O LYS A 19 30.747 13.840 6.645 1.00 0.00 O ATOM 293 CB LYS A 19 29.781 10.836 6.964 1.00 0.00 C ATOM 294 CG LYS A 19 29.222 10.518 5.553 1.00 0.00 C ATOM 295 CD LYS A 19 29.982 9.360 4.879 1.00 0.00 C ATOM 296 CE LYS A 19 29.446 9.023 3.483 1.00 0.00 C ATOM 297 NZ LYS A 19 30.161 7.872 2.876 1.00 0.00 N ATOM 0 H LYS A 19 27.398 11.195 7.564 1.00 0.00 H new ATOM 0 HA LYS A 19 29.765 12.343 8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 19 30.869 10.869 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 19 29.520 10.018 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 19 28.165 10.262 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.289 11.408 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 19 31.038 9.621 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 19 29.917 8.474 5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.382 8.795 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.546 9.894 2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 29.768 7.677 1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.172 8.098 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.044 7.033 3.480 1.00 0.00 H new ATOM 311 N LYS A 20 28.654 13.712 5.783 1.00 0.00 N ATOM 312 CA LYS A 20 28.783 14.828 4.831 1.00 0.00 C ATOM 313 C LYS A 20 28.490 16.193 5.504 1.00 0.00 C ATOM 314 O LYS A 20 28.458 17.233 4.829 1.00 0.00 O ATOM 315 CB LYS A 20 27.798 14.603 3.654 1.00 0.00 C ATOM 316 CG LYS A 20 28.085 13.367 2.772 1.00 0.00 C ATOM 317 CD LYS A 20 27.066 13.217 1.610 1.00 0.00 C ATOM 318 CE LYS A 20 27.082 14.418 0.636 1.00 0.00 C ATOM 319 NZ LYS A 20 28.412 14.614 -0.009 1.00 0.00 N ATOM 0 H LYS A 20 27.746 13.249 5.741 1.00 0.00 H new ATOM 0 HA LYS A 20 29.811 14.853 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 20 26.790 14.512 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 20 27.808 15.490 3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 20 29.092 13.444 2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 28.061 12.470 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 20 27.286 12.304 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 20 26.064 13.105 2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 20 26.327 14.266 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 20 26.807 15.324 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 28.356 15.399 -0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 29.121 14.837 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 28.688 13.744 -0.507 1.00 0.00 H new ATOM 333 N GLY A 21 28.268 16.170 6.835 1.00 0.00 N ATOM 334 CA GLY A 21 27.837 17.344 7.594 1.00 0.00 C ATOM 335 C GLY A 21 26.403 17.768 7.269 1.00 0.00 C ATOM 336 O GLY A 21 26.004 18.909 7.532 1.00 0.00 O ATOM 0 H GLY A 21 28.385 15.333 7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.915 17.130 8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.512 18.174 7.385 1.00 0.00 H new ATOM 340 N LYS A 22 25.626 16.826 6.702 1.00 0.00 N ATOM 341 CA LYS A 22 24.208 17.038 6.356 1.00 0.00 C ATOM 342 C LYS A 22 23.312 16.684 7.543 1.00 0.00 C ATOM 343 O LYS A 22 23.796 16.293 8.598 1.00 0.00 O ATOM 344 CB LYS A 22 23.820 16.185 5.119 1.00 0.00 C ATOM 345 CG LYS A 22 24.571 16.554 3.827 1.00 0.00 C ATOM 346 CD LYS A 22 24.440 18.052 3.468 1.00 0.00 C ATOM 347 CE LYS A 22 24.950 18.365 2.055 1.00 0.00 C ATOM 348 NZ LYS A 22 24.068 17.783 1.014 1.00 0.00 N ATOM 0 H LYS A 22 25.966 15.893 6.470 1.00 0.00 H new ATOM 0 HA LYS A 22 24.065 18.091 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.006 15.135 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 22 22.749 16.288 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.626 16.303 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.186 15.952 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 22 23.395 18.351 3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 22 24.998 18.646 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 22 25.009 19.445 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.960 17.973 1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 24.331 18.165 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 24.175 16.749 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.079 18.027 1.221 1.00 0.00 H new ATOM 362 N TRP A 23 22.008 16.841 7.363 1.00 0.00 N ATOM 363 CA TRP A 23 21.016 16.460 8.361 1.00 0.00 C ATOM 364 C TRP A 23 20.645 14.988 8.133 1.00 0.00 C ATOM 365 O TRP A 23 20.142 14.621 7.068 1.00 0.00 O ATOM 366 CB TRP A 23 19.771 17.381 8.269 1.00 0.00 C ATOM 367 CG TRP A 23 20.091 18.857 8.362 1.00 0.00 C ATOM 368 CD1 TRP A 23 20.048 19.645 9.479 1.00 0.00 C ATOM 369 CD2 TRP A 23 20.506 19.714 7.286 1.00 0.00 C ATOM 370 NE1 TRP A 23 20.422 20.922 9.165 1.00 0.00 N ATOM 371 CE2 TRP A 23 20.702 20.993 7.827 1.00 0.00 C ATOM 372 CE3 TRP A 23 20.727 19.517 5.914 1.00 0.00 C ATOM 373 CZ2 TRP A 23 21.116 22.072 7.051 1.00 0.00 C ATOM 374 CZ3 TRP A 23 21.137 20.585 5.145 1.00 0.00 C ATOM 375 CH2 TRP A 23 21.325 21.852 5.714 1.00 0.00 C ATOM 0 H TRP A 23 21.605 17.239 6.515 1.00 0.00 H new ATOM 0 HA TRP A 23 21.425 16.577 9.365 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.258 17.189 7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.078 17.119 9.068 1.00 0.00 H new ATOM 0 HD1 TRP A 23 19.761 19.308 10.464 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.483 21.699 9.823 1.00 0.00 H new ATOM 0 HE3 TRP A 23 20.578 18.545 5.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 21.267 23.048 7.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 21.316 20.443 4.089 1.00 0.00 H new ATOM 0 HH2 TRP A 23 21.641 22.672 5.086 1.00 0.00 H new ATOM 386 N GLU A 24 20.942 14.151 9.120 1.00 0.00 N ATOM 387 CA GLU A 24 20.615 12.724 9.099 1.00 0.00 C ATOM 388 C GLU A 24 19.504 12.509 10.114 1.00 0.00 C ATOM 389 O GLU A 24 19.613 12.980 11.244 1.00 0.00 O ATOM 390 CB GLU A 24 21.866 11.894 9.483 1.00 0.00 C ATOM 391 CG GLU A 24 21.717 10.375 9.276 1.00 0.00 C ATOM 392 CD GLU A 24 22.982 9.575 9.655 1.00 0.00 C ATOM 393 OE1 GLU A 24 24.055 9.854 9.097 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.905 8.655 10.494 1.00 0.00 O ATOM 0 H GLU A 24 21.423 14.445 9.970 1.00 0.00 H new ATOM 0 HA GLU A 24 20.295 12.406 8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 24 22.714 12.246 8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 24 22.104 12.083 10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.878 10.016 9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 24 21.473 10.181 8.232 1.00 0.00 H new ATOM 401 N TYR A 25 18.442 11.802 9.728 1.00 0.00 N ATOM 402 CA TYR A 25 17.257 11.634 10.573 1.00 0.00 C ATOM 403 C TYR A 25 17.032 10.153 10.822 1.00 0.00 C ATOM 404 O TYR A 25 16.808 9.384 9.886 1.00 0.00 O ATOM 405 CB TYR A 25 16.012 12.262 9.908 1.00 0.00 C ATOM 406 CG TYR A 25 16.081 13.788 9.729 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.640 14.357 8.584 1.00 0.00 C ATOM 408 CD2 TYR A 25 15.561 14.657 10.697 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.674 15.724 8.412 1.00 0.00 C ATOM 410 CE2 TYR A 25 15.602 16.031 10.524 1.00 0.00 C ATOM 411 CZ TYR A 25 16.160 16.555 9.376 1.00 0.00 C ATOM 412 OH TYR A 25 16.187 17.920 9.188 1.00 0.00 O ATOM 0 H TYR A 25 18.377 11.331 8.825 1.00 0.00 H new ATOM 0 HA TYR A 25 17.420 12.145 11.522 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.867 11.801 8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 25 15.135 12.019 10.508 1.00 0.00 H new ATOM 0 HD1 TYR A 25 17.053 13.715 7.820 1.00 0.00 H new ATOM 0 HD2 TYR A 25 15.120 14.248 11.594 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.107 16.143 7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 25 15.200 16.687 11.282 1.00 0.00 H new ATOM 0 HH TYR A 25 15.783 18.365 9.962 1.00 0.00 H new ATOM 422 N LEU A 26 17.123 9.767 12.088 1.00 0.00 N ATOM 423 CA LEU A 26 16.807 8.426 12.534 1.00 0.00 C ATOM 424 C LEU A 26 15.276 8.262 12.488 1.00 0.00 C ATOM 425 O LEU A 26 14.568 8.966 13.196 1.00 0.00 O ATOM 426 CB LEU A 26 17.359 8.209 13.969 1.00 0.00 C ATOM 427 CG LEU A 26 17.865 6.783 14.296 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.334 6.673 15.762 1.00 0.00 C ATOM 429 CD2 LEU A 26 16.823 5.719 13.971 1.00 0.00 C ATOM 0 H LEU A 26 17.423 10.388 12.840 1.00 0.00 H new ATOM 0 HA LEU A 26 17.269 7.678 11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.178 8.909 14.131 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.575 8.466 14.681 1.00 0.00 H new ATOM 0 HG LEU A 26 18.727 6.598 13.655 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.683 5.659 15.957 1.00 0.00 H new ATOM 0 HD12 LEU A 26 19.148 7.377 15.937 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.503 6.906 16.428 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.220 4.734 14.216 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.921 5.902 14.555 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.581 5.759 12.909 1.00 0.00 H new ATOM 441 N ILE A 27 14.790 7.368 11.618 1.00 0.00 N ATOM 442 CA ILE A 27 13.356 7.083 11.449 1.00 0.00 C ATOM 443 C ILE A 27 13.070 5.600 11.790 1.00 0.00 C ATOM 444 O ILE A 27 13.957 4.751 11.726 1.00 0.00 O ATOM 445 CB ILE A 27 12.842 7.392 9.974 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.454 8.711 9.398 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.290 7.440 9.899 1.00 0.00 C ATOM 448 CD1 ILE A 27 13.101 9.966 10.142 1.00 0.00 C ATOM 0 H ILE A 27 15.387 6.815 11.003 1.00 0.00 H new ATOM 0 HA ILE A 27 12.817 7.741 12.131 1.00 0.00 H new ATOM 0 HB ILE A 27 13.188 6.565 9.354 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.539 8.611 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.130 8.820 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.982 7.653 8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.881 6.478 10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.918 8.222 10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.576 10.820 9.660 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.019 10.101 10.135 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.451 9.889 11.172 1.00 0.00 H new ATOM 460 N ARG A 28 11.825 5.331 12.204 1.00 0.00 N ATOM 461 CA ARG A 28 11.281 3.974 12.442 1.00 0.00 C ATOM 462 C ARG A 28 10.007 3.808 11.598 1.00 0.00 C ATOM 463 O ARG A 28 9.198 4.751 11.515 1.00 0.00 O ATOM 464 CB ARG A 28 10.970 3.802 13.963 1.00 0.00 C ATOM 465 CG ARG A 28 10.192 5.002 14.554 1.00 0.00 C ATOM 466 CD ARG A 28 10.050 4.983 16.086 1.00 0.00 C ATOM 467 NE ARG A 28 10.118 6.351 16.658 1.00 0.00 N ATOM 468 CZ ARG A 28 9.591 6.742 17.828 1.00 0.00 C ATOM 469 NH1 ARG A 28 8.765 5.949 18.510 1.00 0.00 N ATOM 470 NH2 ARG A 28 9.846 7.969 18.272 1.00 0.00 N ATOM 0 H ARG A 28 11.144 6.067 12.390 1.00 0.00 H new ATOM 0 HA ARG A 28 12.003 3.211 12.153 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.390 2.891 14.110 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.905 3.677 14.509 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.694 5.924 14.260 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.197 5.026 14.110 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.101 4.521 16.358 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.840 4.368 16.518 1.00 0.00 H new ATOM 0 HE ARG A 28 10.610 7.058 16.112 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.524 5.028 18.144 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.374 6.263 19.398 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.435 8.597 17.725 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.453 8.282 19.160 1.00 0.00 H new ATOM 484 N TRP A 29 9.848 2.629 10.944 1.00 0.00 N ATOM 485 CA TRP A 29 8.622 2.302 10.178 1.00 0.00 C ATOM 486 C TRP A 29 7.878 1.086 10.750 1.00 0.00 C ATOM 487 O TRP A 29 8.466 0.213 11.405 1.00 0.00 O ATOM 488 CB TRP A 29 8.874 2.171 8.639 1.00 0.00 C ATOM 489 CG TRP A 29 9.843 1.107 8.159 1.00 0.00 C ATOM 490 CD1 TRP A 29 9.780 -0.245 8.364 1.00 0.00 C ATOM 491 CD2 TRP A 29 10.974 1.326 7.311 1.00 0.00 C ATOM 492 NE1 TRP A 29 10.818 -0.864 7.728 1.00 0.00 N ATOM 493 CE2 TRP A 29 11.567 0.078 7.073 1.00 0.00 C ATOM 494 CE3 TRP A 29 11.547 2.465 6.741 1.00 0.00 C ATOM 495 CZ2 TRP A 29 12.708 -0.071 6.290 1.00 0.00 C ATOM 496 CZ3 TRP A 29 12.675 2.322 5.967 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.248 1.060 5.746 1.00 0.00 C ATOM 0 H TRP A 29 10.553 1.892 10.933 1.00 0.00 H new ATOM 0 HA TRP A 29 7.962 3.160 10.301 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.913 1.987 8.159 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.232 3.135 8.277 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.021 -0.748 8.944 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.006 -1.867 7.739 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.112 3.440 6.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.149 -1.042 6.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.127 3.196 5.522 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.134 0.981 5.133 1.00 0.00 H new ATOM 508 N LYS A 30 6.568 1.053 10.453 1.00 0.00 N ATOM 509 CA LYS A 30 5.608 0.111 11.034 1.00 0.00 C ATOM 510 C LYS A 30 5.819 -1.298 10.446 1.00 0.00 C ATOM 511 O LYS A 30 6.199 -1.453 9.277 1.00 0.00 O ATOM 512 CB LYS A 30 4.140 0.633 10.828 1.00 0.00 C ATOM 513 CG LYS A 30 3.259 0.613 12.105 1.00 0.00 C ATOM 514 CD LYS A 30 3.900 1.414 13.262 1.00 0.00 C ATOM 515 CE LYS A 30 3.043 1.435 14.538 1.00 0.00 C ATOM 516 NZ LYS A 30 1.837 2.291 14.400 1.00 0.00 N ATOM 0 H LYS A 30 6.142 1.697 9.787 1.00 0.00 H new ATOM 0 HA LYS A 30 5.776 0.039 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.182 1.654 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.658 0.027 10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.278 1.029 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.102 -0.418 12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.875 0.985 13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.073 2.438 12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.736 0.418 14.783 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.647 1.795 15.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.294 2.271 15.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.127 3.268 14.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.245 1.934 13.623 1.00 0.00 H new ATOM 530 N GLY A 31 5.572 -2.317 11.278 1.00 0.00 N ATOM 531 CA GLY A 31 6.028 -3.684 11.010 1.00 0.00 C ATOM 532 C GLY A 31 7.259 -4.010 11.854 1.00 0.00 C ATOM 533 O GLY A 31 7.452 -5.156 12.281 1.00 0.00 O ATOM 0 H GLY A 31 5.053 -2.217 12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.229 -4.391 11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.265 -3.794 9.952 1.00 0.00 H new ATOM 537 N TYR A 32 8.085 -2.975 12.089 1.00 0.00 N ATOM 538 CA TYR A 32 9.276 -3.024 12.956 1.00 0.00 C ATOM 539 C TYR A 32 9.263 -1.780 13.893 1.00 0.00 C ATOM 540 O TYR A 32 8.239 -1.091 13.988 1.00 0.00 O ATOM 541 CB TYR A 32 10.552 -3.047 12.084 1.00 0.00 C ATOM 542 CG TYR A 32 10.722 -4.248 11.139 1.00 0.00 C ATOM 543 CD1 TYR A 32 11.392 -5.408 11.552 1.00 0.00 C ATOM 544 CD2 TYR A 32 10.243 -4.212 9.824 1.00 0.00 C ATOM 545 CE1 TYR A 32 11.573 -6.478 10.691 1.00 0.00 C ATOM 546 CE2 TYR A 32 10.419 -5.284 8.965 1.00 0.00 C ATOM 547 CZ TYR A 32 11.085 -6.413 9.400 1.00 0.00 C ATOM 548 OH TYR A 32 11.263 -7.480 8.542 1.00 0.00 O ATOM 0 H TYR A 32 7.939 -2.057 11.670 1.00 0.00 H new ATOM 0 HA TYR A 32 9.266 -3.928 13.565 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.570 -2.137 11.484 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.417 -3.010 12.746 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.774 -5.469 12.560 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.726 -3.331 9.473 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.095 -7.361 11.028 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.036 -5.237 7.956 1.00 0.00 H new ATOM 0 HH TYR A 32 10.859 -7.272 7.674 1.00 0.00 H new ATOM 558 N GLY A 33 10.393 -1.486 14.580 1.00 0.00 N ATOM 559 CA GLY A 33 10.475 -0.312 15.476 1.00 0.00 C ATOM 560 C GLY A 33 11.910 0.015 15.886 1.00 0.00 C ATOM 561 O GLY A 33 12.680 0.548 15.078 1.00 0.00 O ATOM 0 H GLY A 33 11.249 -2.039 14.531 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.038 0.553 14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.879 -0.499 16.370 1.00 0.00 H new ATOM 565 N SER A 34 12.283 -0.331 17.135 1.00 0.00 N ATOM 566 CA SER A 34 13.632 -0.050 17.681 1.00 0.00 C ATOM 567 C SER A 34 14.701 -0.899 16.974 1.00 0.00 C ATOM 568 O SER A 34 15.794 -0.416 16.695 1.00 0.00 O ATOM 569 CB SER A 34 13.666 -0.305 19.204 1.00 0.00 C ATOM 570 OG SER A 34 14.933 -0.013 19.766 1.00 0.00 O ATOM 0 H SER A 34 11.665 -0.809 17.791 1.00 0.00 H new ATOM 0 HA SER A 34 13.855 1.001 17.498 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.905 0.306 19.690 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.414 -1.347 19.402 1.00 0.00 H new ATOM 0 HG SER A 34 14.911 -0.186 20.730 1.00 0.00 H new ATOM 576 N THR A 35 14.356 -2.157 16.672 1.00 0.00 N ATOM 577 CA THR A 35 15.235 -3.072 15.923 1.00 0.00 C ATOM 578 C THR A 35 15.435 -2.590 14.463 1.00 0.00 C ATOM 579 O THR A 35 16.467 -2.871 13.834 1.00 0.00 O ATOM 580 CB THR A 35 14.649 -4.505 15.953 1.00 0.00 C ATOM 581 OG1 THR A 35 14.420 -4.902 17.317 1.00 0.00 O ATOM 582 CG2 THR A 35 15.551 -5.545 15.264 1.00 0.00 C ATOM 0 H THR A 35 13.463 -2.571 16.938 1.00 0.00 H new ATOM 0 HA THR A 35 16.214 -3.079 16.402 1.00 0.00 H new ATOM 0 HB THR A 35 13.714 -4.475 15.394 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.048 -5.808 17.336 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.082 -6.527 15.320 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.691 -5.269 14.219 1.00 0.00 H new ATOM 0 HG23 THR A 35 16.519 -5.576 15.764 1.00 0.00 H new ATOM 590 N GLU A 36 14.450 -1.823 13.963 1.00 0.00 N ATOM 591 CA GLU A 36 14.487 -1.246 12.614 1.00 0.00 C ATOM 592 C GLU A 36 15.484 -0.094 12.547 1.00 0.00 C ATOM 593 O GLU A 36 16.282 -0.035 11.601 1.00 0.00 O ATOM 594 CB GLU A 36 13.084 -0.726 12.207 1.00 0.00 C ATOM 595 CG GLU A 36 12.993 -0.104 10.799 1.00 0.00 C ATOM 596 CD GLU A 36 13.536 -1.025 9.689 1.00 0.00 C ATOM 597 OE1 GLU A 36 12.925 -2.086 9.430 1.00 0.00 O ATOM 598 OE2 GLU A 36 14.571 -0.689 9.072 1.00 0.00 O ATOM 0 H GLU A 36 13.607 -1.588 14.486 1.00 0.00 H new ATOM 0 HA GLU A 36 14.798 -2.031 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.377 -1.553 12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.765 0.019 12.936 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.953 0.139 10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.548 0.834 10.787 1.00 0.00 H new ATOM 605 N ASP A 37 15.481 0.707 13.644 1.00 0.00 N ATOM 606 CA ASP A 37 15.899 2.125 13.680 1.00 0.00 C ATOM 607 C ASP A 37 16.912 2.497 12.551 1.00 0.00 C ATOM 608 O ASP A 37 18.119 2.214 12.617 1.00 0.00 O ATOM 609 CB ASP A 37 16.396 2.491 15.123 1.00 0.00 C ATOM 610 CG ASP A 37 17.844 2.072 15.447 1.00 0.00 C ATOM 611 OD1 ASP A 37 18.099 0.867 15.593 1.00 0.00 O ATOM 612 OD2 ASP A 37 18.741 2.952 15.518 1.00 0.00 O ATOM 0 H ASP A 37 15.176 0.368 14.556 1.00 0.00 H new ATOM 0 HA ASP A 37 15.030 2.746 13.461 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.309 3.569 15.257 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.729 2.025 15.848 1.00 0.00 H new ATOM 617 N THR A 38 16.367 3.052 11.462 1.00 0.00 N ATOM 618 CA THR A 38 17.107 3.311 10.214 1.00 0.00 C ATOM 619 C THR A 38 17.447 4.803 10.108 1.00 0.00 C ATOM 620 O THR A 38 16.806 5.627 10.741 1.00 0.00 O ATOM 621 CB THR A 38 16.279 2.831 8.969 1.00 0.00 C ATOM 622 OG1 THR A 38 17.007 3.083 7.754 1.00 0.00 O ATOM 623 CG2 THR A 38 14.890 3.497 8.888 1.00 0.00 C ATOM 0 H THR A 38 15.389 3.338 11.419 1.00 0.00 H new ATOM 0 HA THR A 38 18.038 2.745 10.231 1.00 0.00 H new ATOM 0 HB THR A 38 16.123 1.759 9.091 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.546 3.774 7.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.361 3.129 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.318 3.255 9.784 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.009 4.578 8.814 1.00 0.00 H new ATOM 631 N TRP A 39 18.464 5.147 9.310 1.00 0.00 N ATOM 632 CA TRP A 39 18.934 6.542 9.178 1.00 0.00 C ATOM 633 C TRP A 39 18.646 7.072 7.759 1.00 0.00 C ATOM 634 O TRP A 39 19.366 6.768 6.801 1.00 0.00 O ATOM 635 CB TRP A 39 20.442 6.643 9.569 1.00 0.00 C ATOM 636 CG TRP A 39 21.380 5.709 8.812 1.00 0.00 C ATOM 637 CD1 TRP A 39 21.576 4.374 9.037 1.00 0.00 C ATOM 638 CD2 TRP A 39 22.245 6.055 7.719 1.00 0.00 C ATOM 639 NE1 TRP A 39 22.492 3.873 8.145 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.918 4.884 7.329 1.00 0.00 C ATOM 641 CE3 TRP A 39 22.510 7.247 7.028 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.834 4.868 6.281 1.00 0.00 C ATOM 643 CZ3 TRP A 39 23.417 7.229 5.990 1.00 0.00 C ATOM 644 CH2 TRP A 39 24.071 6.047 5.626 1.00 0.00 C ATOM 0 H TRP A 39 18.984 4.479 8.741 1.00 0.00 H new ATOM 0 HA TRP A 39 18.384 7.180 9.870 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.773 7.669 9.410 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.537 6.439 10.636 1.00 0.00 H new ATOM 0 HD1 TRP A 39 21.082 3.797 9.805 1.00 0.00 H new ATOM 0 HE1 TRP A 39 22.804 2.903 8.099 1.00 0.00 H new ATOM 0 HE3 TRP A 39 22.011 8.164 7.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 24.340 3.958 5.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 23.626 8.141 5.450 1.00 0.00 H new ATOM 0 HH2 TRP A 39 24.779 6.065 4.810 1.00 0.00 H new ATOM 655 N GLU A 40 17.551 7.829 7.616 1.00 0.00 N ATOM 656 CA GLU A 40 17.121 8.391 6.327 1.00 0.00 C ATOM 657 C GLU A 40 17.790 9.768 6.111 1.00 0.00 C ATOM 658 O GLU A 40 17.927 10.541 7.069 1.00 0.00 O ATOM 659 CB GLU A 40 15.570 8.516 6.281 1.00 0.00 C ATOM 660 CG GLU A 40 14.805 7.195 6.536 1.00 0.00 C ATOM 661 CD GLU A 40 15.132 6.073 5.538 1.00 0.00 C ATOM 662 OE1 GLU A 40 14.613 6.103 4.401 1.00 0.00 O ATOM 663 OE2 GLU A 40 15.907 5.152 5.883 1.00 0.00 O ATOM 0 H GLU A 40 16.936 8.070 8.393 1.00 0.00 H new ATOM 0 HA GLU A 40 17.429 7.722 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.256 9.250 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.280 8.905 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.031 6.846 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.734 7.396 6.501 1.00 0.00 H new ATOM 670 N PRO A 41 18.235 10.095 4.852 1.00 0.00 N ATOM 671 CA PRO A 41 18.861 11.403 4.546 1.00 0.00 C ATOM 672 C PRO A 41 17.822 12.542 4.570 1.00 0.00 C ATOM 673 O PRO A 41 16.634 12.290 4.370 1.00 0.00 O ATOM 674 CB PRO A 41 19.451 11.185 3.131 1.00 0.00 C ATOM 675 CG PRO A 41 18.552 10.164 2.510 1.00 0.00 C ATOM 676 CD PRO A 41 18.153 9.230 3.635 1.00 0.00 C ATOM 0 HA PRO A 41 19.614 11.703 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.458 12.111 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.481 10.832 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.676 10.634 2.062 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.065 9.623 1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.148 8.834 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 41 18.825 8.375 3.704 1.00 0.00 H new ATOM 684 N GLU A 42 18.296 13.774 4.830 1.00 0.00 N ATOM 685 CA GLU A 42 17.455 14.999 4.883 1.00 0.00 C ATOM 686 C GLU A 42 16.496 15.109 3.680 1.00 0.00 C ATOM 687 O GLU A 42 15.280 15.090 3.852 1.00 0.00 O ATOM 688 CB GLU A 42 18.364 16.265 4.988 1.00 0.00 C ATOM 689 CG GLU A 42 17.629 17.642 5.074 1.00 0.00 C ATOM 690 CD GLU A 42 17.418 18.321 3.705 1.00 0.00 C ATOM 691 OE1 GLU A 42 18.428 18.703 3.071 1.00 0.00 O ATOM 692 OE2 GLU A 42 16.259 18.464 3.250 1.00 0.00 O ATOM 0 H GLU A 42 19.283 13.956 5.012 1.00 0.00 H new ATOM 0 HA GLU A 42 16.830 14.930 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 42 18.997 16.160 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 42 19.025 16.284 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.659 17.497 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 42 18.203 18.310 5.716 1.00 0.00 H new ATOM 699 N HIS A 43 17.055 15.158 2.463 1.00 0.00 N ATOM 700 CA HIS A 43 16.271 15.441 1.236 1.00 0.00 C ATOM 701 C HIS A 43 15.285 14.290 0.883 1.00 0.00 C ATOM 702 O HIS A 43 14.403 14.477 0.041 1.00 0.00 O ATOM 703 CB HIS A 43 17.242 15.743 0.059 1.00 0.00 C ATOM 704 CG HIS A 43 16.590 16.294 -1.190 1.00 0.00 C ATOM 705 ND1 HIS A 43 16.346 17.639 -1.372 1.00 0.00 N ATOM 706 CD2 HIS A 43 16.160 15.686 -2.327 1.00 0.00 C ATOM 707 CE1 HIS A 43 15.781 17.831 -2.545 1.00 0.00 C ATOM 708 NE2 HIS A 43 15.658 16.666 -3.147 1.00 0.00 N ATOM 0 H HIS A 43 18.049 15.006 2.294 1.00 0.00 H new ATOM 0 HA HIS A 43 15.652 16.319 1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.992 16.455 0.402 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.769 14.825 -0.201 1.00 0.00 H new ATOM 0 HD2 HIS A 43 16.205 14.629 -2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.470 18.784 -2.947 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.255 16.516 -4.072 1.00 0.00 H new ATOM 717 N HIS A 44 15.412 13.113 1.549 1.00 0.00 N ATOM 718 CA HIS A 44 14.547 11.927 1.288 1.00 0.00 C ATOM 719 C HIS A 44 14.021 11.282 2.587 1.00 0.00 C ATOM 720 O HIS A 44 13.651 10.100 2.560 1.00 0.00 O ATOM 721 CB HIS A 44 15.320 10.856 0.446 1.00 0.00 C ATOM 722 CG HIS A 44 15.414 11.123 -1.033 1.00 0.00 C ATOM 723 ND1 HIS A 44 16.310 10.466 -1.847 1.00 0.00 N ATOM 724 CD2 HIS A 44 14.688 11.920 -1.854 1.00 0.00 C ATOM 725 CE1 HIS A 44 16.128 10.837 -3.096 1.00 0.00 C ATOM 726 NE2 HIS A 44 15.150 11.720 -3.130 1.00 0.00 N ATOM 0 H HIS A 44 16.110 12.957 2.276 1.00 0.00 H new ATOM 0 HA HIS A 44 13.686 12.287 0.725 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.331 10.769 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.836 9.890 0.591 1.00 0.00 H new ATOM 0 HD2 HIS A 44 13.893 12.589 -1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 44 16.685 10.479 -3.949 1.00 0.00 H new ATOM 0 HE2 HIS A 44 14.795 12.180 -3.968 1.00 0.00 H new ATOM 735 N LEU A 45 13.957 12.032 3.719 1.00 0.00 N ATOM 736 CA LEU A 45 13.455 11.444 4.992 1.00 0.00 C ATOM 737 C LEU A 45 11.934 11.192 4.897 1.00 0.00 C ATOM 738 O LEU A 45 11.451 10.114 5.232 1.00 0.00 O ATOM 739 CB LEU A 45 13.808 12.311 6.255 1.00 0.00 C ATOM 740 CG LEU A 45 12.845 13.493 6.651 1.00 0.00 C ATOM 741 CD1 LEU A 45 13.057 13.919 8.100 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.966 14.704 5.710 1.00 0.00 C ATOM 0 H LEU A 45 14.236 13.011 3.779 1.00 0.00 H new ATOM 0 HA LEU A 45 13.969 10.493 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.875 11.638 7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.802 12.731 6.101 1.00 0.00 H new ATOM 0 HG LEU A 45 11.831 13.106 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.378 14.736 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.859 13.075 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.086 14.251 8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.279 15.486 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.987 15.085 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.718 14.401 4.693 1.00 0.00 H new ATOM 754 N LEU A 46 11.224 12.219 4.418 1.00 0.00 N ATOM 755 CA LEU A 46 9.762 12.266 4.228 1.00 0.00 C ATOM 756 C LEU A 46 9.481 13.292 3.116 1.00 0.00 C ATOM 757 O LEU A 46 10.369 14.077 2.749 1.00 0.00 O ATOM 758 CB LEU A 46 8.972 12.662 5.536 1.00 0.00 C ATOM 759 CG LEU A 46 8.720 11.556 6.627 1.00 0.00 C ATOM 760 CD1 LEU A 46 8.355 10.201 6.001 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.864 11.439 7.664 1.00 0.00 C ATOM 0 H LEU A 46 11.674 13.090 4.136 1.00 0.00 H new ATOM 0 HA LEU A 46 9.415 11.267 3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.510 13.481 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.002 13.053 5.231 1.00 0.00 H new ATOM 0 HG LEU A 46 7.851 11.891 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.190 9.468 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.446 10.307 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.170 9.866 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.623 10.658 8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.794 11.187 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.982 12.389 8.185 1.00 0.00 H new ATOM 773 N HIS A 47 8.244 13.295 2.590 1.00 0.00 N ATOM 774 CA HIS A 47 7.833 14.245 1.523 1.00 0.00 C ATOM 775 C HIS A 47 7.427 15.623 2.102 1.00 0.00 C ATOM 776 O HIS A 47 7.196 16.570 1.342 1.00 0.00 O ATOM 777 CB HIS A 47 6.684 13.642 0.667 1.00 0.00 C ATOM 778 CG HIS A 47 5.342 13.557 1.351 1.00 0.00 C ATOM 779 ND1 HIS A 47 5.070 12.676 2.376 1.00 0.00 N ATOM 780 CD2 HIS A 47 4.196 14.259 1.150 1.00 0.00 C ATOM 781 CE1 HIS A 47 3.823 12.838 2.778 1.00 0.00 C ATOM 782 NE2 HIS A 47 3.274 13.791 2.053 1.00 0.00 N ATOM 0 H HIS A 47 7.506 12.653 2.881 1.00 0.00 H new ATOM 0 HA HIS A 47 8.697 14.409 0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.575 14.241 -0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.976 12.640 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.040 15.038 0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.336 12.284 3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.316 14.128 2.148 1.00 0.00 H new ATOM 791 N CYS A 48 7.345 15.727 3.451 1.00 0.00 N ATOM 792 CA CYS A 48 6.939 16.968 4.144 1.00 0.00 C ATOM 793 C CYS A 48 7.642 17.107 5.514 1.00 0.00 C ATOM 794 O CYS A 48 7.932 16.108 6.181 1.00 0.00 O ATOM 795 CB CYS A 48 5.408 16.991 4.323 1.00 0.00 C ATOM 796 SG CYS A 48 4.488 17.104 2.780 1.00 0.00 S ATOM 0 H CYS A 48 7.558 14.956 4.084 1.00 0.00 H new ATOM 0 HA CYS A 48 7.243 17.815 3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.101 16.088 4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.140 17.837 4.956 1.00 0.00 H new ATOM 0 HG CYS A 48 5.307 16.991 1.777 1.00 0.00 H new ATOM 802 N GLU A 49 7.881 18.371 5.907 1.00 0.00 N ATOM 803 CA GLU A 49 8.501 18.773 7.191 1.00 0.00 C ATOM 804 C GLU A 49 7.532 18.569 8.394 1.00 0.00 C ATOM 805 O GLU A 49 7.937 18.715 9.544 1.00 0.00 O ATOM 806 CB GLU A 49 8.959 20.258 7.086 1.00 0.00 C ATOM 807 CG GLU A 49 9.828 20.781 8.253 1.00 0.00 C ATOM 808 CD GLU A 49 10.196 22.275 8.135 1.00 0.00 C ATOM 809 OE1 GLU A 49 11.148 22.612 7.389 1.00 0.00 O ATOM 810 OE2 GLU A 49 9.554 23.117 8.806 1.00 0.00 O ATOM 0 H GLU A 49 7.641 19.171 5.322 1.00 0.00 H new ATOM 0 HA GLU A 49 9.365 18.135 7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.518 20.381 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.072 20.887 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.295 20.621 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.745 20.193 8.303 1.00 0.00 H new ATOM 817 N GLU A 50 6.246 18.274 8.101 1.00 0.00 N ATOM 818 CA GLU A 50 5.183 18.031 9.124 1.00 0.00 C ATOM 819 C GLU A 50 5.653 17.011 10.186 1.00 0.00 C ATOM 820 O GLU A 50 5.534 17.234 11.394 1.00 0.00 O ATOM 821 CB GLU A 50 3.889 17.503 8.434 1.00 0.00 C ATOM 822 CG GLU A 50 3.474 18.286 7.184 1.00 0.00 C ATOM 823 CD GLU A 50 2.224 17.708 6.502 1.00 0.00 C ATOM 824 OE1 GLU A 50 2.324 16.639 5.862 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.137 18.315 6.603 1.00 0.00 O ATOM 0 H GLU A 50 5.905 18.195 7.143 1.00 0.00 H new ATOM 0 HA GLU A 50 4.974 18.978 9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.038 16.458 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.071 17.531 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.285 19.324 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.300 18.290 6.473 1.00 0.00 H new ATOM 832 N PHE A 51 6.237 15.920 9.679 1.00 0.00 N ATOM 833 CA PHE A 51 6.803 14.833 10.499 1.00 0.00 C ATOM 834 C PHE A 51 7.979 15.356 11.361 1.00 0.00 C ATOM 835 O PHE A 51 8.080 15.046 12.546 1.00 0.00 O ATOM 836 CB PHE A 51 7.277 13.672 9.592 1.00 0.00 C ATOM 837 CG PHE A 51 6.187 13.063 8.712 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.817 13.666 7.506 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.548 11.880 9.077 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.847 13.107 6.700 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.579 11.319 8.269 1.00 0.00 C ATOM 842 CZ PHE A 51 4.227 11.931 7.084 1.00 0.00 C ATOM 0 H PHE A 51 6.333 15.761 8.676 1.00 0.00 H new ATOM 0 HA PHE A 51 6.025 14.463 11.167 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.081 14.034 8.952 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.698 12.887 10.220 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.298 14.584 7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.814 11.395 10.005 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.572 13.586 5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.096 10.400 8.565 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.467 11.492 6.455 1.00 0.00 H new ATOM 852 N ILE A 52 8.834 16.207 10.762 1.00 0.00 N ATOM 853 CA ILE A 52 9.952 16.856 11.481 1.00 0.00 C ATOM 854 C ILE A 52 9.410 17.734 12.629 1.00 0.00 C ATOM 855 O ILE A 52 9.976 17.769 13.730 1.00 0.00 O ATOM 856 CB ILE A 52 10.826 17.718 10.501 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.340 16.824 9.333 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.987 18.420 11.240 1.00 0.00 C ATOM 859 CD1 ILE A 52 12.179 17.524 8.276 1.00 0.00 C ATOM 0 H ILE A 52 8.773 16.463 9.777 1.00 0.00 H new ATOM 0 HA ILE A 52 10.585 16.075 11.902 1.00 0.00 H new ATOM 0 HB ILE A 52 10.204 18.510 10.083 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.930 16.011 9.757 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.478 16.371 8.843 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.569 19.007 10.529 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.583 19.078 12.009 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.629 17.671 11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 52 12.480 16.804 7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 52 11.593 18.318 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.067 17.953 8.741 1.00 0.00 H new ATOM 871 N ASP A 53 8.253 18.373 12.378 1.00 0.00 N ATOM 872 CA ASP A 53 7.605 19.260 13.353 1.00 0.00 C ATOM 873 C ASP A 53 7.107 18.440 14.561 1.00 0.00 C ATOM 874 O ASP A 53 7.332 18.843 15.713 1.00 0.00 O ATOM 875 CB ASP A 53 6.444 20.056 12.699 1.00 0.00 C ATOM 876 CG ASP A 53 5.817 21.112 13.631 1.00 0.00 C ATOM 877 OD1 ASP A 53 6.376 22.226 13.745 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.751 20.853 14.233 1.00 0.00 O ATOM 0 H ASP A 53 7.745 18.288 11.497 1.00 0.00 H new ATOM 0 HA ASP A 53 8.339 19.985 13.705 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.814 20.550 11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.669 19.358 12.382 1.00 0.00 H new ATOM 883 N GLU A 54 6.527 17.225 14.301 1.00 0.00 N ATOM 884 CA GLU A 54 6.021 16.361 15.394 1.00 0.00 C ATOM 885 C GLU A 54 7.216 15.861 16.210 1.00 0.00 C ATOM 886 O GLU A 54 7.130 15.712 17.435 1.00 0.00 O ATOM 887 CB GLU A 54 5.166 15.146 14.903 1.00 0.00 C ATOM 888 CG GLU A 54 5.970 13.927 14.404 1.00 0.00 C ATOM 889 CD GLU A 54 5.114 12.690 14.135 1.00 0.00 C ATOM 890 OE1 GLU A 54 4.843 11.933 15.094 1.00 0.00 O ATOM 891 OE2 GLU A 54 4.716 12.463 12.975 1.00 0.00 O ATOM 0 H GLU A 54 6.405 16.839 13.365 1.00 0.00 H new ATOM 0 HA GLU A 54 5.349 16.969 15.999 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.521 14.824 15.720 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.515 15.484 14.097 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.495 14.200 13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.730 13.677 15.144 1.00 0.00 H new ATOM 898 N PHE A 55 8.361 15.690 15.501 1.00 0.00 N ATOM 899 CA PHE A 55 9.611 15.228 16.092 1.00 0.00 C ATOM 900 C PHE A 55 10.125 16.273 17.087 1.00 0.00 C ATOM 901 O PHE A 55 10.568 15.925 18.191 1.00 0.00 O ATOM 902 CB PHE A 55 10.652 14.932 14.993 1.00 0.00 C ATOM 903 CG PHE A 55 12.062 14.699 15.515 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.337 13.638 16.370 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.108 15.554 15.168 1.00 0.00 C ATOM 906 CE1 PHE A 55 13.603 13.442 16.861 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.378 15.349 15.662 1.00 0.00 C ATOM 908 CZ PHE A 55 14.625 14.296 16.509 1.00 0.00 C ATOM 0 H PHE A 55 8.427 15.874 14.500 1.00 0.00 H new ATOM 0 HA PHE A 55 9.435 14.298 16.632 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.334 14.052 14.434 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.670 15.766 14.291 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.545 12.960 16.651 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.921 16.386 14.505 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.799 12.614 17.527 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.180 16.017 15.383 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.620 14.138 16.899 1.00 0.00 H new ATOM 918 N ASN A 56 9.981 17.559 16.708 1.00 0.00 N ATOM 919 CA ASN A 56 10.376 18.686 17.563 1.00 0.00 C ATOM 920 C ASN A 56 9.533 18.638 18.850 1.00 0.00 C ATOM 921 O ASN A 56 10.051 18.868 19.930 1.00 0.00 O ATOM 922 CB ASN A 56 10.192 20.041 16.808 1.00 0.00 C ATOM 923 CG ASN A 56 10.957 21.249 17.403 1.00 0.00 C ATOM 924 OD1 ASN A 56 11.454 22.095 16.654 1.00 0.00 O ATOM 925 ND2 ASN A 56 11.033 21.386 18.730 1.00 0.00 N ATOM 0 H ASN A 56 9.591 17.839 15.808 1.00 0.00 H new ATOM 0 HA ASN A 56 11.432 18.608 17.822 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.510 19.906 15.774 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.129 20.282 16.786 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.505 22.195 19.133 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.619 20.681 19.340 1.00 0.00 H new ATOM 932 N GLY A 57 8.253 18.245 18.714 1.00 0.00 N ATOM 933 CA GLY A 57 7.345 18.127 19.855 1.00 0.00 C ATOM 934 C GLY A 57 7.688 16.962 20.793 1.00 0.00 C ATOM 935 O GLY A 57 7.573 17.093 22.016 1.00 0.00 O ATOM 0 H GLY A 57 7.829 18.004 17.818 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.364 19.058 20.422 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.327 17.999 19.487 1.00 0.00 H new ATOM 939 N LEU A 58 8.136 15.817 20.224 1.00 0.00 N ATOM 940 CA LEU A 58 8.323 14.561 20.997 1.00 0.00 C ATOM 941 C LEU A 58 9.757 14.414 21.543 1.00 0.00 C ATOM 942 O LEU A 58 9.998 13.595 22.437 1.00 0.00 O ATOM 943 CB LEU A 58 7.897 13.318 20.142 1.00 0.00 C ATOM 944 CG LEU A 58 8.707 13.026 18.820 1.00 0.00 C ATOM 945 CD1 LEU A 58 9.981 12.178 19.049 1.00 0.00 C ATOM 946 CD2 LEU A 58 7.817 12.387 17.726 1.00 0.00 C ATOM 0 H LEU A 58 8.374 15.735 19.236 1.00 0.00 H new ATOM 0 HA LEU A 58 7.670 14.614 21.868 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.963 12.435 20.778 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.848 13.440 19.873 1.00 0.00 H new ATOM 0 HG LEU A 58 9.041 14.002 18.468 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.487 12.017 18.097 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.650 12.703 19.731 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.705 11.216 19.481 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.414 12.203 16.833 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.411 11.444 18.092 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.998 13.064 17.482 1.00 0.00 H new ATOM 958 N HIS A 59 10.704 15.196 20.994 1.00 0.00 N ATOM 959 CA HIS A 59 12.145 15.101 21.341 1.00 0.00 C ATOM 960 C HIS A 59 12.635 16.387 22.042 1.00 0.00 C ATOM 961 O HIS A 59 13.683 16.380 22.706 1.00 0.00 O ATOM 962 CB HIS A 59 12.954 14.827 20.046 1.00 0.00 C ATOM 963 CG HIS A 59 14.428 14.541 20.249 1.00 0.00 C ATOM 964 ND1 HIS A 59 14.901 13.341 20.734 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.526 15.297 20.006 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.220 13.371 20.782 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.624 14.545 20.350 1.00 0.00 N ATOM 0 H HIS A 59 10.499 15.912 20.298 1.00 0.00 H new ATOM 0 HA HIS A 59 12.295 14.280 22.042 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.504 13.979 19.530 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.856 15.690 19.387 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.536 16.304 19.615 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.858 12.568 21.119 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.595 14.849 20.281 1.00 0.00 H new