USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 79 MET CE :methyl 163:sc= -9.7! (180deg=-8.79!) USER MOD Set 1.2: A 83 ASN : amide:sc= -6.79! C(o=-16!,f=-16!) USER MOD Set 2.1: A 51 MET CE :methyl 158:sc= -8.95! (180deg=-7.53!) USER MOD Set 2.2: A 67 SER OG : rot -171:sc= -0.696 USER MOD Set 3.1: A 44 TYR OH : rot 86:sc= 0.415 USER MOD Set 3.2: A 46 GLN : amide:sc= -5.22! C(o=-4.8!,f=-4.1!) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -11.7! C(o=-15!,f=-17!) USER MOD Set 4.2: A 21 GLN : amide:sc= -2.85! C(o=-15!,f=-17!) USER MOD Single : A 3 ASN : amide:sc= -0.85 K(o=-0.85,f=-0.098) USER MOD Single : A 4 GLN : amide:sc= -2.85! K(o=-2.8!,f=-0.74) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.0805 (180deg=-0.472) USER MOD Single : A 24 MET CE :methyl 153:sc= -0.124 (180deg=-0.244) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -0.42 (180deg=-1.83!) USER MOD Single : A 31 MET CE :methyl 165:sc= -12.5! (180deg=-15.5!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 33 TYR OH : rot -153:sc= 0.95 USER MOD Single : A 36 GLN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -178:sc= -1.74! (180deg=-1.95!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.816 K(o=-0.82,f=-0.064) USER MOD Single : A 47 GLN : amide:sc= -3.34! C(o=-3.3!,f=-1.5!) USER MOD Single : A 49 GLN : amide:sc= -0.0813 K(o=-0.081,f=-3.9!) USER MOD Single : A 50 HIS : no HD1:sc= -4.99! K(o=-5!,f=-2.8) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -8:sc= -4.3! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -121:sc= -0.331 (180deg=-5.3!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 6.918 -0.796 -0.804 1.00 0.00 N ATOM 38 CA ASN A 3 7.822 -1.640 -1.577 1.00 0.00 C ATOM 39 C ASN A 3 9.273 -1.398 -1.171 1.00 0.00 C ATOM 40 O ASN A 3 9.577 -0.439 -0.462 1.00 0.00 O ATOM 41 CB ASN A 3 7.648 -1.372 -3.073 1.00 0.00 C ATOM 42 CG ASN A 3 6.740 -2.387 -3.740 1.00 0.00 C ATOM 43 OD1 ASN A 3 6.870 -2.664 -4.933 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.814 -2.948 -2.971 1.00 0.00 N ATOM 0 HA ASN A 3 7.574 -2.681 -1.370 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.237 -0.372 -3.215 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.624 -1.387 -3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.174 -3.639 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.742 -2.688 -1.987 1.00 0.00 H new ATOM 51 N GLN A 4 10.163 -2.273 -1.627 1.00 0.00 N ATOM 52 CA GLN A 4 11.581 -2.154 -1.312 1.00 0.00 C ATOM 53 C GLN A 4 12.278 -1.209 -2.285 1.00 0.00 C ATOM 54 O GLN A 4 11.663 -0.703 -3.224 1.00 0.00 O ATOM 55 CB GLN A 4 12.251 -3.529 -1.350 1.00 0.00 C ATOM 56 CG GLN A 4 11.363 -4.652 -0.840 1.00 0.00 C ATOM 57 CD GLN A 4 10.504 -5.259 -1.933 1.00 0.00 C ATOM 58 OE1 GLN A 4 10.993 -6.008 -2.778 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.216 -4.937 -1.920 1.00 0.00 N ATOM 0 H GLN A 4 9.927 -3.072 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 4 11.670 -1.742 -0.307 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.550 -3.750 -2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.162 -3.497 -0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.985 -5.430 -0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.720 -4.270 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.854 -4.312 -1.200 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.589 -5.315 -2.630 1.00 0.00 H new ATOM 68 N VAL A 5 13.566 -0.973 -2.054 1.00 0.00 N ATOM 69 CA VAL A 5 14.347 -0.089 -2.910 1.00 0.00 C ATOM 70 C VAL A 5 15.812 -0.512 -2.946 1.00 0.00 C ATOM 71 O VAL A 5 16.232 -1.394 -2.198 1.00 0.00 O ATOM 72 CB VAL A 5 14.258 1.374 -2.437 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.806 1.816 -2.341 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.965 1.545 -1.101 1.00 0.00 C ATOM 0 H VAL A 5 14.090 -1.382 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 5 13.925 -0.165 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 5 14.758 2.007 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.763 2.852 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.334 1.732 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.279 1.181 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.893 2.585 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.495 0.903 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.014 1.270 -1.207 1.00 0.00 H new ATOM 84 N ARG A 6 16.584 0.125 -3.821 1.00 0.00 N ATOM 85 CA ARG A 6 18.002 -0.185 -3.955 1.00 0.00 C ATOM 86 C ARG A 6 18.791 1.049 -4.383 1.00 0.00 C ATOM 87 O ARG A 6 19.022 1.288 -5.569 1.00 0.00 O ATOM 88 CB ARG A 6 18.206 -1.311 -4.971 1.00 0.00 C ATOM 89 CG ARG A 6 19.440 -2.157 -4.703 1.00 0.00 C ATOM 90 CD ARG A 6 19.302 -3.549 -5.300 1.00 0.00 C ATOM 91 NE ARG A 6 20.450 -4.395 -4.987 1.00 0.00 N ATOM 92 CZ ARG A 6 20.758 -5.496 -5.665 1.00 0.00 C ATOM 93 NH1 ARG A 6 20.007 -5.880 -6.688 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.819 -6.213 -5.319 1.00 0.00 N ATOM 0 H ARG A 6 16.251 0.858 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 6 18.370 -0.511 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.327 -1.955 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.282 -0.879 -5.969 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.318 -1.665 -5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.602 -2.235 -3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.393 -4.017 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 6 19.194 -3.470 -6.382 1.00 0.00 H new ATOM 0 HE ARG A 6 21.048 -4.127 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.191 -5.330 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 6 20.245 -6.725 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.399 -5.919 -4.533 1.00 0.00 H new ATOM 0 HH22 ARG A 6 22.055 -7.058 -5.839 1.00 0.00 H new ATOM 108 N PRO A 7 19.213 1.853 -3.396 1.00 0.00 N ATOM 109 CA PRO A 7 19.981 3.076 -3.646 1.00 0.00 C ATOM 110 C PRO A 7 21.393 2.783 -4.143 1.00 0.00 C ATOM 111 O PRO A 7 22.207 2.203 -3.425 1.00 0.00 O ATOM 112 CB PRO A 7 20.028 3.753 -2.273 1.00 0.00 C ATOM 113 CG PRO A 7 19.870 2.639 -1.297 1.00 0.00 C ATOM 114 CD PRO A 7 18.973 1.630 -1.961 1.00 0.00 C ATOM 0 HA PRO A 7 19.527 3.690 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 7 20.970 4.280 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.231 4.489 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 7 20.835 2.199 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.433 2.996 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.225 0.612 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.927 1.788 -1.699 1.00 0.00 H new ATOM 122 N LYS A 8 21.676 3.187 -5.377 1.00 0.00 N ATOM 123 CA LYS A 8 22.990 2.969 -5.971 1.00 0.00 C ATOM 124 C LYS A 8 24.054 3.797 -5.257 1.00 0.00 C ATOM 125 O LYS A 8 23.766 4.484 -4.276 1.00 0.00 O ATOM 126 CB LYS A 8 22.965 3.325 -7.459 1.00 0.00 C ATOM 127 CG LYS A 8 22.028 2.454 -8.277 1.00 0.00 C ATOM 128 CD LYS A 8 22.347 0.978 -8.106 1.00 0.00 C ATOM 129 CE LYS A 8 21.746 0.144 -9.227 1.00 0.00 C ATOM 130 NZ LYS A 8 21.531 -1.270 -8.812 1.00 0.00 N ATOM 0 H LYS A 8 21.013 3.667 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 8 23.241 1.914 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.667 4.368 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.974 3.237 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.998 2.642 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.105 2.724 -9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.428 0.838 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.963 0.631 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.796 0.581 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.406 0.172 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.120 -1.805 -9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.441 -1.695 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.881 -1.299 -8.000 1.00 0.00 H new ATOM 144 N LEU A 9 25.283 3.728 -5.755 1.00 0.00 N ATOM 145 CA LEU A 9 26.391 4.472 -5.165 1.00 0.00 C ATOM 146 C LEU A 9 25.974 5.904 -4.844 1.00 0.00 C ATOM 147 O LEU A 9 26.030 6.351 -3.698 1.00 0.00 O ATOM 148 CB LEU A 9 27.590 4.479 -6.115 1.00 0.00 C ATOM 149 CG LEU A 9 27.381 3.791 -7.464 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.430 4.250 -8.465 1.00 0.00 C ATOM 151 CD2 LEU A 9 27.419 2.279 -7.304 1.00 0.00 C ATOM 0 H LEU A 9 25.538 3.165 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 9 26.675 3.978 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.877 5.514 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.430 4.000 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 9 26.398 4.071 -7.844 1.00 0.00 H new ATOM 0 HD11 LEU A 9 28.266 3.750 -9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 9 28.354 5.329 -8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.423 4.001 -8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 9 27.268 1.807 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.387 1.980 -6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.629 1.965 -6.621 1.00 0.00 H new ATOM 163 N PRO A 10 25.544 6.642 -5.879 1.00 0.00 N ATOM 164 CA PRO A 10 25.107 8.033 -5.731 1.00 0.00 C ATOM 165 C PRO A 10 23.789 8.149 -4.974 1.00 0.00 C ATOM 166 O PRO A 10 23.304 9.252 -4.717 1.00 0.00 O ATOM 167 CB PRO A 10 24.937 8.506 -7.177 1.00 0.00 C ATOM 168 CG PRO A 10 24.671 7.263 -7.954 1.00 0.00 C ATOM 169 CD PRO A 10 25.451 6.174 -7.272 1.00 0.00 C ATOM 0 HA PRO A 10 25.818 8.625 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.113 9.213 -7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.833 9.013 -7.536 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.606 7.031 -7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.985 7.377 -8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.942 5.212 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.437 6.045 -7.719 1.00 0.00 H new ATOM 177 N LEU A 11 23.213 7.006 -4.618 1.00 0.00 N ATOM 178 CA LEU A 11 21.950 6.980 -3.889 1.00 0.00 C ATOM 179 C LEU A 11 22.153 6.464 -2.468 1.00 0.00 C ATOM 180 O LEU A 11 21.303 6.659 -1.598 1.00 0.00 O ATOM 181 CB LEU A 11 20.934 6.102 -4.622 1.00 0.00 C ATOM 182 CG LEU A 11 19.866 6.843 -5.428 1.00 0.00 C ATOM 183 CD1 LEU A 11 20.507 7.886 -6.330 1.00 0.00 C ATOM 184 CD2 LEU A 11 19.040 5.861 -6.247 1.00 0.00 C ATOM 0 H LEU A 11 23.601 6.085 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 11 21.568 8.000 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.476 5.440 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.434 5.470 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 11 19.201 7.354 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.732 8.403 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 11 21.054 8.606 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.195 7.397 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.285 6.405 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.692 5.322 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.551 5.152 -5.579 1.00 0.00 H new ATOM 196 N LEU A 12 23.284 5.807 -2.238 1.00 0.00 N ATOM 197 CA LEU A 12 23.600 5.265 -0.921 1.00 0.00 C ATOM 198 C LEU A 12 24.080 6.365 0.020 1.00 0.00 C ATOM 199 O LEU A 12 23.679 6.422 1.183 1.00 0.00 O ATOM 200 CB LEU A 12 24.669 4.177 -1.039 1.00 0.00 C ATOM 201 CG LEU A 12 24.391 2.878 -0.281 1.00 0.00 C ATOM 202 CD1 LEU A 12 25.695 2.192 0.098 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.552 3.153 0.958 1.00 0.00 C ATOM 0 H LEU A 12 23.998 5.637 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 12 22.691 4.830 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.800 3.938 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.615 4.586 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 12 23.830 2.211 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.478 1.270 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.260 1.961 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.283 2.854 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.364 2.218 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.087 3.838 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.603 3.600 0.663 1.00 0.00 H new ATOM 215 N LYS A 13 24.940 7.241 -0.491 1.00 0.00 N ATOM 216 CA LYS A 13 25.472 8.343 0.301 1.00 0.00 C ATOM 217 C LYS A 13 24.356 9.281 0.747 1.00 0.00 C ATOM 218 O LYS A 13 24.437 9.895 1.812 1.00 0.00 O ATOM 219 CB LYS A 13 26.515 9.120 -0.505 1.00 0.00 C ATOM 220 CG LYS A 13 25.913 10.153 -1.442 1.00 0.00 C ATOM 221 CD LYS A 13 25.916 11.539 -0.821 1.00 0.00 C ATOM 222 CE LYS A 13 27.181 12.306 -1.175 1.00 0.00 C ATOM 223 NZ LYS A 13 27.252 12.619 -2.629 1.00 0.00 N ATOM 0 H LYS A 13 25.283 7.208 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 13 25.946 7.924 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.196 9.620 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.110 8.416 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.476 10.170 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.891 9.867 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.044 12.095 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.832 11.454 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.216 13.233 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.054 11.720 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.864 13.447 -2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.645 11.803 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.298 12.825 -2.987 1.00 0.00 H new ATOM 237 N ILE A 14 23.315 9.387 -0.072 1.00 0.00 N ATOM 238 CA ILE A 14 22.181 10.248 0.241 1.00 0.00 C ATOM 239 C ILE A 14 21.546 9.860 1.571 1.00 0.00 C ATOM 240 O ILE A 14 21.423 10.685 2.478 1.00 0.00 O ATOM 241 CB ILE A 14 21.109 10.191 -0.863 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.749 10.408 -2.237 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.028 11.231 -0.606 1.00 0.00 C ATOM 244 CD1 ILE A 14 20.769 10.871 -3.293 1.00 0.00 C ATOM 0 H ILE A 14 23.233 8.887 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 14 22.567 11.265 0.309 1.00 0.00 H new ATOM 0 HB ILE A 14 20.647 9.204 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.547 11.145 -2.145 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.211 9.477 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.278 11.178 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.557 11.035 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.475 12.225 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.291 11.004 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 14 19.984 10.124 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.325 11.818 -2.987 1.00 0.00 H new ATOM 256 N LEU A 15 21.144 8.598 1.683 1.00 0.00 N ATOM 257 CA LEU A 15 20.523 8.098 2.904 1.00 0.00 C ATOM 258 C LEU A 15 21.546 7.985 4.029 1.00 0.00 C ATOM 259 O LEU A 15 21.246 8.276 5.188 1.00 0.00 O ATOM 260 CB LEU A 15 19.875 6.736 2.649 1.00 0.00 C ATOM 261 CG LEU A 15 18.907 6.663 1.468 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.395 8.050 1.111 1.00 0.00 C ATOM 263 CD2 LEU A 15 19.579 6.015 0.267 1.00 0.00 C ATOM 0 H LEU A 15 21.237 7.903 0.943 1.00 0.00 H new ATOM 0 HA LEU A 15 19.754 8.808 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.667 6.004 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.340 6.436 3.550 1.00 0.00 H new ATOM 0 HG LEU A 15 18.056 6.048 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.707 7.978 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 15 17.875 8.478 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.235 8.689 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.875 5.971 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 15 20.449 6.603 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.895 5.005 0.528 1.00 0.00 H new ATOM 275 N HIS A 16 22.757 7.563 3.681 1.00 0.00 N ATOM 276 CA HIS A 16 23.827 7.414 4.661 1.00 0.00 C ATOM 277 C HIS A 16 24.036 8.711 5.438 1.00 0.00 C ATOM 278 O HIS A 16 24.180 8.697 6.660 1.00 0.00 O ATOM 279 CB HIS A 16 25.128 7.005 3.970 1.00 0.00 C ATOM 280 CG HIS A 16 25.217 5.538 3.682 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.400 4.904 3.365 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.261 4.579 3.665 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.168 3.619 3.165 1.00 0.00 C ATOM 284 NE2 HIS A 16 24.878 3.396 3.341 1.00 0.00 N ATOM 0 H HIS A 16 23.022 7.318 2.727 1.00 0.00 H new ATOM 0 HA HIS A 16 23.537 6.632 5.363 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.222 7.557 3.035 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.970 7.296 4.598 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.312 5.357 3.296 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.210 4.719 3.868 1.00 0.00 H new ATOM 0 HE1 HIS A 16 26.907 2.877 2.902 1.00 0.00 H new ATOM 292 N ALA A 17 24.051 9.829 4.720 1.00 0.00 N ATOM 293 CA ALA A 17 24.241 11.134 5.342 1.00 0.00 C ATOM 294 C ALA A 17 23.101 11.455 6.304 1.00 0.00 C ATOM 295 O ALA A 17 23.286 12.179 7.281 1.00 0.00 O ATOM 296 CB ALA A 17 24.356 12.214 4.277 1.00 0.00 C ATOM 0 H ALA A 17 23.934 9.857 3.707 1.00 0.00 H new ATOM 0 HA ALA A 17 25.168 11.105 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.498 13.183 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.208 12.000 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.445 12.234 3.679 1.00 0.00 H new ATOM 302 N ALA A 18 21.922 10.911 6.019 1.00 0.00 N ATOM 303 CA ALA A 18 20.753 11.138 6.859 1.00 0.00 C ATOM 304 C ALA A 18 20.719 10.161 8.029 1.00 0.00 C ATOM 305 O ALA A 18 19.775 10.153 8.817 1.00 0.00 O ATOM 306 CB ALA A 18 19.480 11.022 6.035 1.00 0.00 C ATOM 0 H ALA A 18 21.752 10.310 5.213 1.00 0.00 H new ATOM 0 HA ALA A 18 20.819 12.147 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.615 11.194 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.494 11.765 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.417 10.024 5.601 1.00 0.00 H new ATOM 312 N GLY A 19 21.757 9.336 8.136 1.00 0.00 N ATOM 313 CA GLY A 19 21.825 8.365 9.213 1.00 0.00 C ATOM 314 C GLY A 19 21.727 6.938 8.713 1.00 0.00 C ATOM 315 O GLY A 19 22.091 5.999 9.420 1.00 0.00 O ATOM 0 H GLY A 19 22.551 9.323 7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.762 8.493 9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.018 8.555 9.921 1.00 0.00 H new ATOM 319 N ALA A 20 21.232 6.773 7.490 1.00 0.00 N ATOM 320 CA ALA A 20 21.087 5.450 6.896 1.00 0.00 C ATOM 321 C ALA A 20 22.428 4.726 6.835 1.00 0.00 C ATOM 322 O ALA A 20 23.471 5.307 7.134 1.00 0.00 O ATOM 323 CB ALA A 20 20.480 5.559 5.506 1.00 0.00 C ATOM 0 H ALA A 20 20.925 7.540 6.892 1.00 0.00 H new ATOM 0 HA ALA A 20 20.417 4.867 7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.378 4.563 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.498 6.028 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.128 6.164 4.872 1.00 0.00 H new ATOM 329 N GLN A 21 22.392 3.455 6.447 1.00 0.00 N ATOM 330 CA GLN A 21 23.605 2.652 6.348 1.00 0.00 C ATOM 331 C GLN A 21 23.280 1.226 5.916 1.00 0.00 C ATOM 332 O GLN A 21 22.525 0.521 6.585 1.00 0.00 O ATOM 333 CB GLN A 21 24.342 2.637 7.688 1.00 0.00 C ATOM 334 CG GLN A 21 25.856 2.631 7.550 1.00 0.00 C ATOM 335 CD GLN A 21 26.354 3.649 6.543 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.164 3.332 5.671 1.00 0.00 O ATOM 337 NE2 GLN A 21 25.870 4.880 6.657 1.00 0.00 N ATOM 0 H GLN A 21 21.536 2.960 6.196 1.00 0.00 H new ATOM 0 HA GLN A 21 24.249 3.103 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 21 24.042 3.510 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.034 1.757 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.306 2.836 8.521 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.186 1.637 7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.200 5.098 7.395 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.168 5.607 6.007 1.00 0.00 H new ATOM 346 N GLY A 22 23.856 0.807 4.793 1.00 0.00 N ATOM 347 CA GLY A 22 23.615 -0.533 4.291 1.00 0.00 C ATOM 348 C GLY A 22 23.602 -0.591 2.777 1.00 0.00 C ATOM 349 O GLY A 22 24.331 0.147 2.115 1.00 0.00 O ATOM 0 H GLY A 22 24.485 1.372 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.386 -1.204 4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.661 -0.895 4.674 1.00 0.00 H new ATOM 353 N GLU A 23 22.772 -1.472 2.227 1.00 0.00 N ATOM 354 CA GLU A 23 22.670 -1.625 0.781 1.00 0.00 C ATOM 355 C GLU A 23 21.243 -1.974 0.370 1.00 0.00 C ATOM 356 O GLU A 23 21.000 -2.424 -0.750 1.00 0.00 O ATOM 357 CB GLU A 23 23.633 -2.709 0.291 1.00 0.00 C ATOM 358 CG GLU A 23 25.059 -2.523 0.782 1.00 0.00 C ATOM 359 CD GLU A 23 26.047 -3.416 0.057 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.607 -4.216 -0.795 1.00 0.00 O ATOM 361 OE2 GLU A 23 27.258 -3.315 0.341 1.00 0.00 O ATOM 0 H GLU A 23 22.161 -2.090 2.761 1.00 0.00 H new ATOM 0 HA GLU A 23 22.940 -0.674 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.269 -3.682 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.631 -2.719 -0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.352 -1.481 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.102 -2.733 1.851 1.00 0.00 H new ATOM 368 N MET A 24 20.302 -1.765 1.285 1.00 0.00 N ATOM 369 CA MET A 24 18.898 -2.057 1.018 1.00 0.00 C ATOM 370 C MET A 24 17.994 -1.340 2.016 1.00 0.00 C ATOM 371 O MET A 24 18.342 -1.192 3.188 1.00 0.00 O ATOM 372 CB MET A 24 18.648 -3.565 1.077 1.00 0.00 C ATOM 373 CG MET A 24 19.537 -4.289 2.076 1.00 0.00 C ATOM 374 SD MET A 24 20.984 -5.037 1.304 1.00 0.00 S ATOM 375 CE MET A 24 22.113 -5.103 2.693 1.00 0.00 C ATOM 0 H MET A 24 20.486 -1.395 2.217 1.00 0.00 H new ATOM 0 HA MET A 24 18.662 -1.696 0.017 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.604 -3.742 1.336 1.00 0.00 H new ATOM 0 HB3 MET A 24 18.807 -3.991 0.086 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.862 -3.586 2.843 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.957 -5.063 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.819 -5.921 2.549 1.00 0.00 H new ATOM 0 HE2 MET A 24 22.658 -4.161 2.764 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.550 -5.267 3.612 1.00 0.00 H new ATOM 385 N PHE A 25 16.834 -0.897 1.544 1.00 0.00 N ATOM 386 CA PHE A 25 15.881 -0.194 2.395 1.00 0.00 C ATOM 387 C PHE A 25 14.491 -0.189 1.766 1.00 0.00 C ATOM 388 O PHE A 25 14.340 -0.394 0.561 1.00 0.00 O ATOM 389 CB PHE A 25 16.347 1.242 2.642 1.00 0.00 C ATOM 390 CG PHE A 25 17.776 1.339 3.093 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.802 1.458 2.170 1.00 0.00 C ATOM 392 CD2 PHE A 25 18.094 1.313 4.442 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.118 1.546 2.583 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.408 1.402 4.861 1.00 0.00 C ATOM 395 CZ PHE A 25 20.421 1.520 3.930 1.00 0.00 C ATOM 0 H PHE A 25 16.531 -1.012 0.577 1.00 0.00 H new ATOM 0 HA PHE A 25 15.827 -0.720 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.224 1.818 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.705 1.700 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.571 1.482 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 25 17.305 1.222 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.909 1.635 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.642 1.379 5.915 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.448 1.592 4.255 1.00 0.00 H new ATOM 405 N THR A 26 13.475 0.047 2.591 1.00 0.00 N ATOM 406 CA THR A 26 12.097 0.077 2.118 1.00 0.00 C ATOM 407 C THR A 26 11.658 1.501 1.795 1.00 0.00 C ATOM 408 O THR A 26 12.389 2.459 2.048 1.00 0.00 O ATOM 409 CB THR A 26 11.132 -0.522 3.158 1.00 0.00 C ATOM 410 OG1 THR A 26 11.861 -0.946 4.315 1.00 0.00 O ATOM 411 CG2 THR A 26 10.370 -1.701 2.573 1.00 0.00 C ATOM 0 H THR A 26 13.581 0.220 3.591 1.00 0.00 H new ATOM 0 HA THR A 26 12.061 -0.527 1.211 1.00 0.00 H new ATOM 0 HB THR A 26 10.415 0.248 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.240 -1.324 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.695 -2.108 3.326 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.793 -1.369 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.075 -2.473 2.264 1.00 0.00 H new ATOM 419 N VAL A 27 10.459 1.633 1.236 1.00 0.00 N ATOM 420 CA VAL A 27 9.921 2.941 0.881 1.00 0.00 C ATOM 421 C VAL A 27 10.009 3.909 2.056 1.00 0.00 C ATOM 422 O VAL A 27 10.560 5.003 1.934 1.00 0.00 O ATOM 423 CB VAL A 27 8.455 2.839 0.422 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.738 1.723 1.167 1.00 0.00 C ATOM 425 CG2 VAL A 27 7.741 4.168 0.621 1.00 0.00 C ATOM 0 H VAL A 27 9.842 0.850 1.019 1.00 0.00 H new ATOM 0 HA VAL A 27 10.526 3.319 0.057 1.00 0.00 H new ATOM 0 HB VAL A 27 8.441 2.600 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.703 1.666 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.237 0.774 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.759 1.928 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.706 4.078 0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.763 4.439 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.242 4.941 0.038 1.00 0.00 H new ATOM 435 N LYS A 28 9.461 3.499 3.195 1.00 0.00 N ATOM 436 CA LYS A 28 9.478 4.328 4.394 1.00 0.00 C ATOM 437 C LYS A 28 10.908 4.678 4.794 1.00 0.00 C ATOM 438 O LYS A 28 11.203 5.823 5.133 1.00 0.00 O ATOM 439 CB LYS A 28 8.777 3.606 5.547 1.00 0.00 C ATOM 440 CG LYS A 28 7.686 2.651 5.094 1.00 0.00 C ATOM 441 CD LYS A 28 8.216 1.236 4.935 1.00 0.00 C ATOM 442 CE LYS A 28 7.866 0.371 6.137 1.00 0.00 C ATOM 443 NZ LYS A 28 6.432 0.505 6.518 1.00 0.00 N ATOM 0 H LYS A 28 8.999 2.597 3.313 1.00 0.00 H new ATOM 0 HA LYS A 28 8.945 5.253 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.519 3.051 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.344 4.347 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.872 2.657 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.271 2.994 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.801 0.790 4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.298 1.264 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.086 -0.672 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.494 0.652 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.096 -0.390 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.329 1.266 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.868 0.733 5.674 1.00 0.00 H new ATOM 457 N GLU A 29 11.790 3.685 4.749 1.00 0.00 N ATOM 458 CA GLU A 29 13.189 3.890 5.107 1.00 0.00 C ATOM 459 C GLU A 29 13.817 4.980 4.242 1.00 0.00 C ATOM 460 O GLU A 29 14.418 5.924 4.754 1.00 0.00 O ATOM 461 CB GLU A 29 13.974 2.586 4.952 1.00 0.00 C ATOM 462 CG GLU A 29 13.535 1.494 5.913 1.00 0.00 C ATOM 463 CD GLU A 29 12.793 2.040 7.117 1.00 0.00 C ATOM 464 OE1 GLU A 29 13.385 2.845 7.865 1.00 0.00 O ATOM 465 OE2 GLU A 29 11.618 1.661 7.311 1.00 0.00 O ATOM 0 H GLU A 29 11.561 2.731 4.469 1.00 0.00 H new ATOM 0 HA GLU A 29 13.229 4.208 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.864 2.225 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.034 2.789 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.894 0.787 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.410 0.939 6.251 1.00 0.00 H new ATOM 472 N VAL A 30 13.673 4.841 2.928 1.00 0.00 N ATOM 473 CA VAL A 30 14.225 5.813 1.992 1.00 0.00 C ATOM 474 C VAL A 30 13.688 7.212 2.272 1.00 0.00 C ATOM 475 O VAL A 30 14.454 8.166 2.406 1.00 0.00 O ATOM 476 CB VAL A 30 13.903 5.434 0.534 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.452 6.479 -0.424 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.458 4.055 0.208 1.00 0.00 C ATOM 0 H VAL A 30 13.179 4.065 2.488 1.00 0.00 H new ATOM 0 HA VAL A 30 15.306 5.807 2.131 1.00 0.00 H new ATOM 0 HB VAL A 30 12.820 5.402 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.215 6.194 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.002 7.447 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.534 6.547 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.222 3.803 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.540 4.057 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 30 14.011 3.316 0.873 1.00 0.00 H new ATOM 488 N MET A 31 12.367 7.326 2.360 1.00 0.00 N ATOM 489 CA MET A 31 11.727 8.609 2.626 1.00 0.00 C ATOM 490 C MET A 31 12.172 9.169 3.974 1.00 0.00 C ATOM 491 O MET A 31 12.419 10.368 4.108 1.00 0.00 O ATOM 492 CB MET A 31 10.205 8.460 2.600 1.00 0.00 C ATOM 493 CG MET A 31 9.530 8.893 3.891 1.00 0.00 C ATOM 494 SD MET A 31 9.642 10.670 4.172 1.00 0.00 S ATOM 495 CE MET A 31 9.501 11.287 2.496 1.00 0.00 C ATOM 0 H MET A 31 11.719 6.546 2.251 1.00 0.00 H new ATOM 0 HA MET A 31 12.029 9.306 1.845 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.805 9.049 1.775 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.953 7.419 2.400 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.481 8.599 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.987 8.367 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.286 12.355 2.518 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.438 11.117 1.966 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.693 10.765 1.983 1.00 0.00 H new ATOM 505 N HIS A 32 12.271 8.294 4.970 1.00 0.00 N ATOM 506 CA HIS A 32 12.686 8.702 6.307 1.00 0.00 C ATOM 507 C HIS A 32 14.041 9.401 6.266 1.00 0.00 C ATOM 508 O HIS A 32 14.305 10.312 7.051 1.00 0.00 O ATOM 509 CB HIS A 32 12.753 7.489 7.235 1.00 0.00 C ATOM 510 CG HIS A 32 12.547 7.827 8.679 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.531 7.289 9.441 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.234 8.654 9.502 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.601 7.771 10.669 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.626 8.602 10.732 1.00 0.00 N ATOM 0 H HIS A 32 12.070 7.299 4.876 1.00 0.00 H new ATOM 0 HA HIS A 32 11.946 9.404 6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.998 6.765 6.929 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.723 7.006 7.118 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.099 9.245 9.240 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.934 7.527 11.483 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.918 9.121 11.560 1.00 0.00 H new ATOM 522 N TYR A 33 14.896 8.970 5.345 1.00 0.00 N ATOM 523 CA TYR A 33 16.226 9.552 5.204 1.00 0.00 C ATOM 524 C TYR A 33 16.152 10.919 4.532 1.00 0.00 C ATOM 525 O TYR A 33 16.928 11.823 4.849 1.00 0.00 O ATOM 526 CB TYR A 33 17.130 8.621 4.394 1.00 0.00 C ATOM 527 CG TYR A 33 17.362 7.279 5.052 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.778 7.195 6.375 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.164 6.096 4.351 1.00 0.00 C ATOM 530 CE1 TYR A 33 17.992 5.971 6.979 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.374 4.868 4.948 1.00 0.00 C ATOM 532 CZ TYR A 33 17.789 4.811 6.262 1.00 0.00 C ATOM 533 OH TYR A 33 18.000 3.590 6.861 1.00 0.00 O ATOM 0 H TYR A 33 14.692 8.220 4.685 1.00 0.00 H new ATOM 0 HA TYR A 33 16.648 9.679 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.687 8.462 3.411 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.091 9.109 4.235 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.937 8.101 6.940 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.840 6.137 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 33 18.317 5.923 8.008 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.214 3.958 4.389 1.00 0.00 H new ATOM 0 HH TYR A 33 18.237 2.928 6.179 1.00 0.00 H new ATOM 543 N LEU A 34 15.215 11.065 3.602 1.00 0.00 N ATOM 544 CA LEU A 34 15.038 12.322 2.884 1.00 0.00 C ATOM 545 C LEU A 34 14.950 13.496 3.854 1.00 0.00 C ATOM 546 O LEU A 34 15.699 14.466 3.740 1.00 0.00 O ATOM 547 CB LEU A 34 13.777 12.265 2.020 1.00 0.00 C ATOM 548 CG LEU A 34 14.001 12.166 0.510 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.957 13.251 0.040 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.532 10.789 0.140 1.00 0.00 C ATOM 0 H LEU A 34 14.566 10.328 3.327 1.00 0.00 H new ATOM 0 HA LEU A 34 15.906 12.470 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.183 11.407 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.182 13.156 2.221 1.00 0.00 H new ATOM 0 HG LEU A 34 13.044 12.312 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.104 13.165 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.538 14.230 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.915 13.137 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.686 10.736 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.479 10.615 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.812 10.028 0.442 1.00 0.00 H new ATOM 562 N GLY A 35 14.032 13.400 4.811 1.00 0.00 N ATOM 563 CA GLY A 35 13.865 14.459 5.789 1.00 0.00 C ATOM 564 C GLY A 35 15.160 14.803 6.497 1.00 0.00 C ATOM 565 O GLY A 35 15.522 15.974 6.609 1.00 0.00 O ATOM 0 H GLY A 35 13.401 12.607 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.478 15.349 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.121 14.155 6.526 1.00 0.00 H new ATOM 569 N GLN A 36 15.859 13.780 6.978 1.00 0.00 N ATOM 570 CA GLN A 36 17.120 13.981 7.682 1.00 0.00 C ATOM 571 C GLN A 36 18.158 14.624 6.768 1.00 0.00 C ATOM 572 O GLN A 36 18.904 15.510 7.186 1.00 0.00 O ATOM 573 CB GLN A 36 17.650 12.648 8.215 1.00 0.00 C ATOM 574 CG GLN A 36 16.789 12.048 9.315 1.00 0.00 C ATOM 575 CD GLN A 36 17.112 12.615 10.683 1.00 0.00 C ATOM 576 OE1 GLN A 36 16.258 13.217 11.336 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.349 12.425 11.126 1.00 0.00 N ATOM 0 H GLN A 36 15.574 12.804 6.893 1.00 0.00 H new ATOM 0 HA GLN A 36 16.935 14.652 8.521 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.719 11.938 7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.661 12.794 8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.738 12.230 9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.929 10.967 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.024 11.921 10.552 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.624 12.783 12.041 1.00 0.00 H new ATOM 586 N TYR A 37 18.200 14.173 5.519 1.00 0.00 N ATOM 587 CA TYR A 37 19.147 14.703 4.547 1.00 0.00 C ATOM 588 C TYR A 37 18.984 16.212 4.393 1.00 0.00 C ATOM 589 O TYR A 37 19.950 16.967 4.506 1.00 0.00 O ATOM 590 CB TYR A 37 18.958 14.017 3.192 1.00 0.00 C ATOM 591 CG TYR A 37 20.069 14.303 2.208 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.384 13.957 2.494 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.803 14.919 0.991 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.402 14.217 1.597 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.815 15.181 0.087 1.00 0.00 C ATOM 596 CZ TYR A 37 22.113 14.829 0.396 1.00 0.00 C ATOM 597 OH TYR A 37 23.124 15.089 -0.501 1.00 0.00 O ATOM 0 H TYR A 37 17.589 13.441 5.157 1.00 0.00 H new ATOM 0 HA TYR A 37 20.154 14.500 4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 37 18.889 12.940 3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.010 14.339 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.614 13.477 3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.788 15.198 0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.419 13.942 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.591 15.658 -0.856 1.00 0.00 H new ATOM 0 HH TYR A 37 22.752 15.522 -1.297 1.00 0.00 H new ATOM 607 N ILE A 38 17.754 16.644 4.135 1.00 0.00 N ATOM 608 CA ILE A 38 17.462 18.062 3.967 1.00 0.00 C ATOM 609 C ILE A 38 17.842 18.852 5.214 1.00 0.00 C ATOM 610 O ILE A 38 18.486 19.897 5.127 1.00 0.00 O ATOM 611 CB ILE A 38 15.972 18.297 3.657 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.578 17.578 2.365 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.683 19.787 3.549 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.093 17.311 2.251 1.00 0.00 C ATOM 0 H ILE A 38 16.944 16.032 4.038 1.00 0.00 H new ATOM 0 HA ILE A 38 18.059 18.410 3.124 1.00 0.00 H new ATOM 0 HB ILE A 38 15.377 17.889 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 38 15.898 18.178 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.115 16.631 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.626 19.938 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.931 20.275 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.285 20.217 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.886 16.799 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.771 16.685 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.550 18.256 2.276 1.00 0.00 H new ATOM 626 N MET A 39 17.439 18.345 6.375 1.00 0.00 N ATOM 627 CA MET A 39 17.739 19.002 7.642 1.00 0.00 C ATOM 628 C MET A 39 19.244 19.043 7.889 1.00 0.00 C ATOM 629 O MET A 39 19.773 20.033 8.396 1.00 0.00 O ATOM 630 CB MET A 39 17.040 18.279 8.794 1.00 0.00 C ATOM 631 CG MET A 39 18.001 17.611 9.764 1.00 0.00 C ATOM 632 SD MET A 39 17.163 16.904 11.196 1.00 0.00 S ATOM 633 CE MET A 39 15.482 17.452 10.908 1.00 0.00 C ATOM 0 H MET A 39 16.904 17.481 6.464 1.00 0.00 H new ATOM 0 HA MET A 39 17.369 20.026 7.589 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.424 18.993 9.340 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.367 17.525 8.384 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.548 16.825 9.244 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.736 18.341 10.102 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.846 17.123 11.730 1.00 0.00 H new ATOM 0 HE2 MET A 39 15.460 18.540 10.845 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.116 17.027 9.974 1.00 0.00 H new ATOM 643 N VAL A 40 19.928 17.962 7.529 1.00 0.00 N ATOM 644 CA VAL A 40 21.372 17.875 7.712 1.00 0.00 C ATOM 645 C VAL A 40 22.105 18.795 6.742 1.00 0.00 C ATOM 646 O VAL A 40 23.097 19.430 7.101 1.00 0.00 O ATOM 647 CB VAL A 40 21.877 16.433 7.516 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.632 16.306 6.202 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.752 16.012 8.687 1.00 0.00 C ATOM 0 H VAL A 40 19.506 17.134 7.109 1.00 0.00 H new ATOM 0 HA VAL A 40 21.581 18.189 8.735 1.00 0.00 H new ATOM 0 HB VAL A 40 21.016 15.766 7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 40 22.981 15.281 6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.970 16.564 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.487 16.982 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.100 14.991 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.610 16.681 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.174 16.062 9.610 1.00 0.00 H new ATOM 659 N LYS A 41 21.610 18.862 5.511 1.00 0.00 N ATOM 660 CA LYS A 41 22.216 19.706 4.487 1.00 0.00 C ATOM 661 C LYS A 41 21.805 21.163 4.670 1.00 0.00 C ATOM 662 O LYS A 41 22.424 22.066 4.108 1.00 0.00 O ATOM 663 CB LYS A 41 21.812 19.222 3.093 1.00 0.00 C ATOM 664 CG LYS A 41 22.807 18.258 2.471 1.00 0.00 C ATOM 665 CD LYS A 41 24.225 18.800 2.540 1.00 0.00 C ATOM 666 CE LYS A 41 24.997 18.197 3.704 1.00 0.00 C ATOM 667 NZ LYS A 41 26.055 17.257 3.241 1.00 0.00 N ATOM 0 H LYS A 41 20.790 18.342 5.198 1.00 0.00 H new ATOM 0 HA LYS A 41 23.299 19.637 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.838 18.736 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.697 20.085 2.437 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.757 17.299 2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.537 18.075 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.744 18.583 1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.196 19.885 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 41 25.452 18.995 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.307 17.671 4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.558 16.868 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.619 16.481 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 26.728 17.765 2.632 1.00 0.00 H new ATOM 681 N GLN A 42 20.759 21.384 5.460 1.00 0.00 N ATOM 682 CA GLN A 42 20.267 22.732 5.716 1.00 0.00 C ATOM 683 C GLN A 42 19.602 23.315 4.473 1.00 0.00 C ATOM 684 O GLN A 42 19.869 24.454 4.090 1.00 0.00 O ATOM 685 CB GLN A 42 21.413 23.639 6.168 1.00 0.00 C ATOM 686 CG GLN A 42 21.233 24.192 7.573 1.00 0.00 C ATOM 687 CD GLN A 42 22.116 23.498 8.591 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.559 24.109 9.564 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.377 22.215 8.372 1.00 0.00 N ATOM 0 H GLN A 42 20.236 20.647 5.933 1.00 0.00 H new ATOM 0 HA GLN A 42 19.523 22.675 6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.347 23.079 6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.505 24.470 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.457 25.259 7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.190 24.086 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 42 21.989 21.748 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 42 22.966 21.696 9.023 1.00 0.00 H new ATOM 698 N LEU A 43 18.736 22.526 3.847 1.00 0.00 N ATOM 699 CA LEU A 43 18.032 22.963 2.647 1.00 0.00 C ATOM 700 C LEU A 43 16.528 23.034 2.892 1.00 0.00 C ATOM 701 O LEU A 43 15.762 22.240 2.346 1.00 0.00 O ATOM 702 CB LEU A 43 18.327 22.013 1.485 1.00 0.00 C ATOM 703 CG LEU A 43 19.768 21.513 1.375 1.00 0.00 C ATOM 704 CD1 LEU A 43 19.813 20.164 0.675 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.629 22.528 0.637 1.00 0.00 C ATOM 0 H LEU A 43 18.505 21.580 4.151 1.00 0.00 H new ATOM 0 HA LEU A 43 18.386 23.962 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 43 17.669 21.148 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.067 22.518 0.555 1.00 0.00 H new ATOM 0 HG LEU A 43 20.168 21.390 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 43 20.846 19.824 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.230 19.439 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.395 20.260 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.651 22.156 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.230 22.683 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.623 23.473 1.180 1.00 0.00 H new ATOM 717 N TYR A 44 16.113 23.990 3.715 1.00 0.00 N ATOM 718 CA TYR A 44 14.701 24.165 4.033 1.00 0.00 C ATOM 719 C TYR A 44 14.496 25.348 4.974 1.00 0.00 C ATOM 720 O TYR A 44 15.438 25.817 5.613 1.00 0.00 O ATOM 721 CB TYR A 44 14.138 22.891 4.667 1.00 0.00 C ATOM 722 CG TYR A 44 14.705 22.595 6.036 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.076 22.480 6.232 1.00 0.00 C ATOM 724 CD2 TYR A 44 13.871 22.430 7.135 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.599 22.209 7.482 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.385 22.159 8.388 1.00 0.00 C ATOM 727 CZ TYR A 44 15.749 22.049 8.556 1.00 0.00 C ATOM 728 OH TYR A 44 16.266 21.780 9.803 1.00 0.00 O ATOM 0 H TYR A 44 16.734 24.656 4.174 1.00 0.00 H new ATOM 0 HA TYR A 44 14.168 24.367 3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.054 22.982 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.342 22.047 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.744 22.605 5.393 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.802 22.515 7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.667 22.123 7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.722 22.034 9.231 1.00 0.00 H new ATOM 0 HH TYR A 44 16.499 22.621 10.249 1.00 0.00 H new ATOM 738 N ASP A 45 13.259 25.825 5.054 1.00 0.00 N ATOM 739 CA ASP A 45 12.929 26.952 5.918 1.00 0.00 C ATOM 740 C ASP A 45 12.832 26.510 7.375 1.00 0.00 C ATOM 741 O ASP A 45 12.011 25.662 7.722 1.00 0.00 O ATOM 742 CB ASP A 45 11.611 27.591 5.477 1.00 0.00 C ATOM 743 CG ASP A 45 11.704 29.101 5.378 1.00 0.00 C ATOM 744 OD1 ASP A 45 12.574 29.687 6.055 1.00 0.00 O ATOM 745 OD2 ASP A 45 10.905 29.697 4.625 1.00 0.00 O ATOM 0 H ASP A 45 12.468 25.449 4.531 1.00 0.00 H new ATOM 0 HA ASP A 45 13.728 27.689 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.319 27.184 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.826 27.324 6.185 1.00 0.00 H new ATOM 750 N GLN A 46 13.676 27.090 8.221 1.00 0.00 N ATOM 751 CA GLN A 46 13.686 26.754 9.640 1.00 0.00 C ATOM 752 C GLN A 46 12.364 27.135 10.299 1.00 0.00 C ATOM 753 O GLN A 46 11.935 26.499 11.262 1.00 0.00 O ATOM 754 CB GLN A 46 14.844 27.463 10.346 1.00 0.00 C ATOM 755 CG GLN A 46 16.136 26.663 10.348 1.00 0.00 C ATOM 756 CD GLN A 46 16.205 25.662 9.211 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.291 24.455 9.435 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.167 26.161 7.980 1.00 0.00 N ATOM 0 H GLN A 46 14.362 27.795 7.949 1.00 0.00 H new ATOM 0 HA GLN A 46 13.819 25.676 9.731 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.021 28.423 9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.556 27.675 11.376 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.982 27.347 10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 46 16.231 26.136 11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.095 27.169 7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.210 25.536 7.175 1.00 0.00 H new ATOM 767 N GLN A 47 11.725 28.175 9.774 1.00 0.00 N ATOM 768 CA GLN A 47 10.452 28.640 10.313 1.00 0.00 C ATOM 769 C GLN A 47 9.299 27.781 9.804 1.00 0.00 C ATOM 770 O GLN A 47 8.303 27.588 10.501 1.00 0.00 O ATOM 771 CB GLN A 47 10.219 30.103 9.935 1.00 0.00 C ATOM 772 CG GLN A 47 11.459 30.972 10.069 1.00 0.00 C ATOM 773 CD GLN A 47 12.310 30.972 8.814 1.00 0.00 C ATOM 774 OE1 GLN A 47 11.972 31.617 7.821 1.00 0.00 O ATOM 775 NE2 GLN A 47 13.421 30.246 8.852 1.00 0.00 N ATOM 0 H GLN A 47 12.067 28.711 8.977 1.00 0.00 H new ATOM 0 HA GLN A 47 10.493 28.554 11.399 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.861 30.151 8.906 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.430 30.511 10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.159 31.994 10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.057 30.618 10.909 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.662 29.727 9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 47 14.033 30.207 8.037 1.00 0.00 H new ATOM 784 N GLU A 48 9.442 27.268 8.586 1.00 0.00 N ATOM 785 CA GLU A 48 8.411 26.431 7.985 1.00 0.00 C ATOM 786 C GLU A 48 9.006 25.126 7.462 1.00 0.00 C ATOM 787 O GLU A 48 9.206 24.962 6.259 1.00 0.00 O ATOM 788 CB GLU A 48 7.715 27.179 6.846 1.00 0.00 C ATOM 789 CG GLU A 48 6.676 28.181 7.321 1.00 0.00 C ATOM 790 CD GLU A 48 6.490 29.332 6.352 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.746 29.138 5.145 1.00 0.00 O ATOM 792 OE2 GLU A 48 6.089 30.426 6.800 1.00 0.00 O ATOM 0 H GLU A 48 10.261 27.417 7.997 1.00 0.00 H new ATOM 0 HA GLU A 48 7.678 26.193 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.466 27.701 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.235 26.455 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.723 27.671 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.973 28.574 8.293 1.00 0.00 H new ATOM 799 N GLN A 49 9.286 24.203 8.376 1.00 0.00 N ATOM 800 CA GLN A 49 9.859 22.913 8.007 1.00 0.00 C ATOM 801 C GLN A 49 9.027 22.238 6.922 1.00 0.00 C ATOM 802 O GLN A 49 9.509 21.349 6.219 1.00 0.00 O ATOM 803 CB GLN A 49 9.954 22.005 9.234 1.00 0.00 C ATOM 804 CG GLN A 49 11.100 22.360 10.167 1.00 0.00 C ATOM 805 CD GLN A 49 10.705 23.383 11.214 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.539 23.766 11.315 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.676 23.831 12.001 1.00 0.00 N ATOM 0 H GLN A 49 9.126 24.324 9.376 1.00 0.00 H new ATOM 0 HA GLN A 49 10.861 23.087 7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.016 22.057 9.788 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.072 20.973 8.904 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.453 21.456 10.663 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.933 22.748 9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.629 23.486 11.882 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.469 24.520 12.724 1.00 0.00 H new ATOM 816 N HIS A 50 7.775 22.665 6.792 1.00 0.00 N ATOM 817 CA HIS A 50 6.875 22.101 5.792 1.00 0.00 C ATOM 818 C HIS A 50 7.325 22.476 4.383 1.00 0.00 C ATOM 819 O HIS A 50 6.761 22.006 3.396 1.00 0.00 O ATOM 820 CB HIS A 50 5.445 22.586 6.030 1.00 0.00 C ATOM 821 CG HIS A 50 5.153 23.916 5.406 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.841 25.040 6.141 1.00 0.00 N ATOM 823 CD2 HIS A 50 5.128 24.299 4.108 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.635 26.056 5.323 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.804 25.633 4.083 1.00 0.00 N ATOM 0 H HIS A 50 7.361 23.399 7.366 1.00 0.00 H new ATOM 0 HA HIS A 50 6.902 21.015 5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.749 21.847 5.634 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.265 22.650 7.103 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.326 23.672 3.251 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.373 27.061 5.618 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.709 26.204 3.243 1.00 0.00 H new ATOM 833 N MET A 51 8.343 23.326 4.299 1.00 0.00 N ATOM 834 CA MET A 51 8.868 23.764 3.011 1.00 0.00 C ATOM 835 C MET A 51 10.378 23.561 2.942 1.00 0.00 C ATOM 836 O MET A 51 11.121 24.061 3.786 1.00 0.00 O ATOM 837 CB MET A 51 8.528 25.237 2.772 1.00 0.00 C ATOM 838 CG MET A 51 7.377 25.445 1.802 1.00 0.00 C ATOM 839 SD MET A 51 7.587 24.524 0.266 1.00 0.00 S ATOM 840 CE MET A 51 9.330 24.789 -0.052 1.00 0.00 C ATOM 0 H MET A 51 8.821 23.725 5.107 1.00 0.00 H new ATOM 0 HA MET A 51 8.402 23.160 2.232 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.278 25.703 3.725 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.412 25.748 2.390 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.446 25.140 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.286 26.507 1.575 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.704 24.003 -0.709 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.469 25.759 -0.530 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.879 24.766 0.889 1.00 0.00 H new ATOM 850 N VAL A 52 10.826 22.823 1.931 1.00 0.00 N ATOM 851 CA VAL A 52 12.247 22.554 1.752 1.00 0.00 C ATOM 852 C VAL A 52 12.856 23.486 0.710 1.00 0.00 C ATOM 853 O VAL A 52 12.166 23.957 -0.195 1.00 0.00 O ATOM 854 CB VAL A 52 12.493 21.094 1.325 1.00 0.00 C ATOM 855 CG1 VAL A 52 11.173 20.365 1.130 1.00 0.00 C ATOM 856 CG2 VAL A 52 13.331 21.045 0.056 1.00 0.00 C ATOM 0 H VAL A 52 10.225 22.401 1.224 1.00 0.00 H new ATOM 0 HA VAL A 52 12.726 22.729 2.716 1.00 0.00 H new ATOM 0 HB VAL A 52 13.045 20.590 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.367 19.336 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.613 20.370 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.591 20.866 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.495 20.007 -0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.807 21.565 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.291 21.528 0.235 1.00 0.00 H new ATOM 866 N TYR A 53 14.151 23.747 0.843 1.00 0.00 N ATOM 867 CA TYR A 53 14.853 24.625 -0.086 1.00 0.00 C ATOM 868 C TYR A 53 16.103 23.946 -0.638 1.00 0.00 C ATOM 869 O TYR A 53 17.227 24.330 -0.312 1.00 0.00 O ATOM 870 CB TYR A 53 15.235 25.935 0.606 1.00 0.00 C ATOM 871 CG TYR A 53 14.074 26.889 0.778 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.267 27.233 -0.299 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.786 27.447 2.017 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.206 28.105 -0.147 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.726 28.319 2.179 1.00 0.00 C ATOM 876 CZ TYR A 53 11.940 28.644 1.094 1.00 0.00 C ATOM 877 OH TYR A 53 10.884 29.513 1.251 1.00 0.00 O ATOM 0 H TYR A 53 14.736 23.363 1.585 1.00 0.00 H new ATOM 0 HA TYR A 53 14.182 24.843 -0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.657 25.709 1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 53 16.017 26.427 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.472 26.812 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.401 27.195 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.589 28.363 -0.995 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.515 28.743 3.150 1.00 0.00 H new ATOM 0 HH TYR A 53 10.833 29.801 2.186 1.00 0.00 H new ATOM 887 N CYS A 54 15.898 22.936 -1.476 1.00 0.00 N ATOM 888 CA CYS A 54 17.007 22.202 -2.075 1.00 0.00 C ATOM 889 C CYS A 54 17.448 22.855 -3.381 1.00 0.00 C ATOM 890 O CYS A 54 18.084 22.219 -4.221 1.00 0.00 O ATOM 891 CB CYS A 54 16.606 20.748 -2.327 1.00 0.00 C ATOM 892 SG CYS A 54 15.744 20.481 -3.894 1.00 0.00 S ATOM 0 H CYS A 54 14.974 22.607 -1.756 1.00 0.00 H new ATOM 0 HA CYS A 54 17.845 22.224 -1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 54 17.501 20.127 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.966 20.412 -1.511 1.00 0.00 H new ATOM 0 HG CYS A 54 15.484 21.628 -4.447 1.00 0.00 H new ATOM 898 N GLY A 55 17.105 24.129 -3.547 1.00 0.00 N ATOM 899 CA GLY A 55 17.472 24.846 -4.753 1.00 0.00 C ATOM 900 C GLY A 55 18.973 24.925 -4.946 1.00 0.00 C ATOM 901 O GLY A 55 19.603 25.912 -4.568 1.00 0.00 O ATOM 0 H GLY A 55 16.579 24.677 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.023 24.353 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.060 25.854 -4.712 1.00 0.00 H new ATOM 905 N GLY A 56 19.550 23.881 -5.535 1.00 0.00 N ATOM 906 CA GLY A 56 20.982 23.857 -5.765 1.00 0.00 C ATOM 907 C GLY A 56 21.660 22.689 -5.075 1.00 0.00 C ATOM 908 O GLY A 56 22.872 22.705 -4.861 1.00 0.00 O ATOM 0 H GLY A 56 19.050 23.052 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 56 21.174 23.803 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.420 24.790 -5.409 1.00 0.00 H new ATOM 912 N ASP A 57 20.877 21.675 -4.725 1.00 0.00 N ATOM 913 CA ASP A 57 21.408 20.495 -4.054 1.00 0.00 C ATOM 914 C ASP A 57 21.190 19.244 -4.901 1.00 0.00 C ATOM 915 O ASP A 57 20.344 19.228 -5.796 1.00 0.00 O ATOM 916 CB ASP A 57 20.751 20.320 -2.684 1.00 0.00 C ATOM 917 CG ASP A 57 21.767 20.185 -1.567 1.00 0.00 C ATOM 918 OD1 ASP A 57 22.325 21.219 -1.145 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.002 19.046 -1.115 1.00 0.00 O ATOM 0 H ASP A 57 19.872 21.647 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 57 22.480 20.637 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.105 21.175 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.114 19.436 -2.700 1.00 0.00 H new ATOM 924 N LEU A 58 21.957 18.199 -4.612 1.00 0.00 N ATOM 925 CA LEU A 58 21.848 16.944 -5.347 1.00 0.00 C ATOM 926 C LEU A 58 20.388 16.527 -5.500 1.00 0.00 C ATOM 927 O LEU A 58 19.921 16.261 -6.608 1.00 0.00 O ATOM 928 CB LEU A 58 22.632 15.842 -4.632 1.00 0.00 C ATOM 929 CG LEU A 58 24.154 15.905 -4.768 1.00 0.00 C ATOM 930 CD1 LEU A 58 24.626 17.350 -4.811 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.823 15.157 -3.624 1.00 0.00 C ATOM 0 H LEU A 58 22.661 18.196 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 58 22.269 17.096 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.380 15.874 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.293 14.878 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 58 24.437 15.424 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.711 17.375 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.173 17.855 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.332 17.856 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.906 15.212 -3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.534 15.609 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.509 14.113 -3.639 1.00 0.00 H new ATOM 943 N LEU A 59 19.673 16.475 -4.382 1.00 0.00 N ATOM 944 CA LEU A 59 18.265 16.094 -4.392 1.00 0.00 C ATOM 945 C LEU A 59 17.469 16.974 -5.350 1.00 0.00 C ATOM 946 O LEU A 59 16.541 16.509 -6.011 1.00 0.00 O ATOM 947 CB LEU A 59 17.679 16.194 -2.982 1.00 0.00 C ATOM 948 CG LEU A 59 17.832 17.547 -2.287 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.523 17.962 -1.633 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.951 17.494 -1.257 1.00 0.00 C ATOM 0 H LEU A 59 20.045 16.692 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 59 18.196 15.062 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.617 15.952 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.150 15.433 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 59 18.092 18.293 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.651 18.927 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.746 18.041 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.233 17.216 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.046 18.466 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.721 16.736 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.889 17.242 -1.752 1.00 0.00 H new ATOM 962 N GLY A 60 17.839 18.249 -5.420 1.00 0.00 N ATOM 963 CA GLY A 60 17.151 19.175 -6.301 1.00 0.00 C ATOM 964 C GLY A 60 17.361 18.846 -7.766 1.00 0.00 C ATOM 965 O GLY A 60 16.399 18.696 -8.518 1.00 0.00 O ATOM 0 H GLY A 60 18.603 18.657 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.084 19.160 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.503 20.188 -6.105 1.00 0.00 H new ATOM 969 N GLU A 61 18.622 18.734 -8.170 1.00 0.00 N ATOM 970 CA GLU A 61 18.954 18.423 -9.556 1.00 0.00 C ATOM 971 C GLU A 61 18.256 17.144 -10.009 1.00 0.00 C ATOM 972 O GLU A 61 17.706 17.080 -11.109 1.00 0.00 O ATOM 973 CB GLU A 61 20.469 18.276 -9.720 1.00 0.00 C ATOM 974 CG GLU A 61 21.112 17.390 -8.666 1.00 0.00 C ATOM 975 CD GLU A 61 22.596 17.188 -8.901 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.953 16.340 -9.745 1.00 0.00 O ATOM 977 OE2 GLU A 61 23.401 17.877 -8.240 1.00 0.00 O ATOM 0 H GLU A 61 19.430 18.854 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 61 18.606 19.246 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.681 17.865 -10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.928 19.264 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.961 17.834 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.614 16.421 -8.658 1.00 0.00 H new ATOM 984 N LEU A 62 18.283 16.128 -9.154 1.00 0.00 N ATOM 985 CA LEU A 62 17.653 14.849 -9.465 1.00 0.00 C ATOM 986 C LEU A 62 16.142 15.006 -9.604 1.00 0.00 C ATOM 987 O LEU A 62 15.532 14.454 -10.520 1.00 0.00 O ATOM 988 CB LEU A 62 17.973 13.822 -8.378 1.00 0.00 C ATOM 989 CG LEU A 62 18.432 12.448 -8.866 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.253 11.651 -9.401 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.508 12.593 -9.932 1.00 0.00 C ATOM 0 H LEU A 62 18.734 16.164 -8.240 1.00 0.00 H new ATOM 0 HA LEU A 62 18.052 14.497 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.750 14.235 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.085 13.688 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 62 18.857 11.906 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.599 10.676 -9.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.515 11.517 -8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.798 12.188 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.823 11.605 -10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.109 13.154 -10.777 1.00 0.00 H new ATOM 0 HD23 LEU A 62 20.364 13.124 -9.515 1.00 0.00 H new ATOM 1003 N LEU A 63 15.545 15.763 -8.690 1.00 0.00 N ATOM 1004 CA LEU A 63 14.105 15.995 -8.712 1.00 0.00 C ATOM 1005 C LEU A 63 13.718 16.910 -9.869 1.00 0.00 C ATOM 1006 O LEU A 63 12.561 16.946 -10.285 1.00 0.00 O ATOM 1007 CB LEU A 63 13.648 16.607 -7.387 1.00 0.00 C ATOM 1008 CG LEU A 63 12.698 15.754 -6.545 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.927 16.004 -5.063 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.251 16.041 -6.919 1.00 0.00 C ATOM 0 H LEU A 63 16.035 16.226 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 63 13.609 15.035 -8.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.532 16.829 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.159 17.558 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 63 12.904 14.704 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.242 15.388 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.955 15.747 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.749 17.056 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.589 15.425 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.032 17.094 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.095 15.809 -7.973 1.00 0.00 H new ATOM 1022 N GLY A 64 14.696 17.648 -10.386 1.00 0.00 N ATOM 1023 CA GLY A 64 14.438 18.552 -11.492 1.00 0.00 C ATOM 1024 C GLY A 64 13.931 19.904 -11.029 1.00 0.00 C ATOM 1025 O GLY A 64 13.865 20.851 -11.813 1.00 0.00 O ATOM 0 H GLY A 64 15.662 17.636 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.354 18.688 -12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.705 18.102 -12.162 1.00 0.00 H new ATOM 1029 N ARG A 65 13.571 19.994 -9.753 1.00 0.00 N ATOM 1030 CA ARG A 65 13.065 21.239 -9.189 1.00 0.00 C ATOM 1031 C ARG A 65 14.127 21.917 -8.327 1.00 0.00 C ATOM 1032 O ARG A 65 15.324 21.764 -8.567 1.00 0.00 O ATOM 1033 CB ARG A 65 11.810 20.974 -8.355 1.00 0.00 C ATOM 1034 CG ARG A 65 10.868 19.957 -8.979 1.00 0.00 C ATOM 1035 CD ARG A 65 10.651 20.233 -10.459 1.00 0.00 C ATOM 1036 NE ARG A 65 10.053 19.092 -11.147 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.753 18.820 -11.125 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.919 19.603 -10.454 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.284 17.763 -11.777 1.00 0.00 N ATOM 0 H ARG A 65 13.620 19.220 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 65 12.811 21.905 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.108 20.623 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.275 21.912 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.276 18.955 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.910 19.980 -8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.006 21.104 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.605 20.478 -10.926 1.00 0.00 H new ATOM 0 HE ARG A 65 10.667 18.470 -11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.275 20.417 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.921 19.391 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.922 17.159 -12.295 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.286 17.555 -11.760 1.00 0.00 H new ATOM 1053 N GLN A 66 13.678 22.666 -7.325 1.00 0.00 N ATOM 1054 CA GLN A 66 14.590 23.368 -6.430 1.00 0.00 C ATOM 1055 C GLN A 66 14.093 23.307 -4.989 1.00 0.00 C ATOM 1056 O GLN A 66 14.878 23.131 -4.058 1.00 0.00 O ATOM 1057 CB GLN A 66 14.748 24.825 -6.867 1.00 0.00 C ATOM 1058 CG GLN A 66 13.723 25.264 -7.901 1.00 0.00 C ATOM 1059 CD GLN A 66 13.881 26.719 -8.297 1.00 0.00 C ATOM 1060 OE1 GLN A 66 14.770 27.070 -9.074 1.00 0.00 O ATOM 1061 NE2 GLN A 66 13.016 27.574 -7.765 1.00 0.00 N ATOM 0 H GLN A 66 12.690 22.802 -7.113 1.00 0.00 H new ATOM 0 HA GLN A 66 15.561 22.874 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.668 25.469 -5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 66 15.748 24.967 -7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.816 24.638 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.721 25.106 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.295 27.239 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.072 28.566 -7.996 1.00 0.00 H new ATOM 1070 N SER A 67 12.783 23.455 -4.814 1.00 0.00 N ATOM 1071 CA SER A 67 12.181 23.422 -3.486 1.00 0.00 C ATOM 1072 C SER A 67 10.813 22.747 -3.527 1.00 0.00 C ATOM 1073 O SER A 67 10.065 22.892 -4.494 1.00 0.00 O ATOM 1074 CB SER A 67 12.047 24.840 -2.928 1.00 0.00 C ATOM 1075 OG SER A 67 10.703 25.125 -2.578 1.00 0.00 O ATOM 0 H SER A 67 12.119 23.599 -5.575 1.00 0.00 H new ATOM 0 HA SER A 67 12.833 22.843 -2.832 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.686 24.951 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.394 25.560 -3.669 1.00 0.00 H new ATOM 0 HG SER A 67 10.617 26.076 -2.359 1.00 0.00 H new ATOM 1081 N PHE A 68 10.493 22.009 -2.470 1.00 0.00 N ATOM 1082 CA PHE A 68 9.216 21.310 -2.384 1.00 0.00 C ATOM 1083 C PHE A 68 8.628 21.422 -0.981 1.00 0.00 C ATOM 1084 O PHE A 68 9.188 22.092 -0.113 1.00 0.00 O ATOM 1085 CB PHE A 68 9.390 19.837 -2.760 1.00 0.00 C ATOM 1086 CG PHE A 68 10.725 19.272 -2.367 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.924 18.745 -1.101 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.781 19.268 -3.264 1.00 0.00 C ATOM 1089 CE1 PHE A 68 12.151 18.224 -0.736 1.00 0.00 C ATOM 1090 CE2 PHE A 68 13.010 18.747 -2.905 1.00 0.00 C ATOM 1091 CZ PHE A 68 13.196 18.226 -1.639 1.00 0.00 C ATOM 0 H PHE A 68 11.100 21.879 -1.661 1.00 0.00 H new ATOM 0 HA PHE A 68 8.526 21.778 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.603 19.253 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.261 19.727 -3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.110 18.741 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.642 19.676 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.292 17.816 0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.825 18.747 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 68 14.156 17.821 -1.356 1.00 0.00 H new ATOM 1101 N SER A 69 7.494 20.762 -0.766 1.00 0.00 N ATOM 1102 CA SER A 69 6.827 20.791 0.531 1.00 0.00 C ATOM 1103 C SER A 69 6.828 19.407 1.173 1.00 0.00 C ATOM 1104 O SER A 69 6.538 18.406 0.518 1.00 0.00 O ATOM 1105 CB SER A 69 5.390 21.294 0.377 1.00 0.00 C ATOM 1106 OG SER A 69 5.054 21.468 -0.988 1.00 0.00 O ATOM 0 H SER A 69 7.018 20.201 -1.473 1.00 0.00 H new ATOM 0 HA SER A 69 7.376 21.473 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.702 20.584 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.274 22.239 0.907 1.00 0.00 H new ATOM 0 HG SER A 69 4.131 21.788 -1.059 1.00 0.00 H new ATOM 1112 N VAL A 70 7.155 19.359 2.460 1.00 0.00 N ATOM 1113 CA VAL A 70 7.193 18.099 3.193 1.00 0.00 C ATOM 1114 C VAL A 70 5.786 17.592 3.486 1.00 0.00 C ATOM 1115 O VAL A 70 5.505 16.400 3.361 1.00 0.00 O ATOM 1116 CB VAL A 70 7.962 18.245 4.520 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.875 19.460 4.478 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.993 18.336 5.689 1.00 0.00 C ATOM 0 H VAL A 70 7.398 20.178 3.017 1.00 0.00 H new ATOM 0 HA VAL A 70 7.711 17.379 2.559 1.00 0.00 H new ATOM 0 HB VAL A 70 8.582 17.360 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.410 19.546 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.592 19.348 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.279 20.358 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.553 18.439 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.345 19.203 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.386 17.432 5.729 1.00 0.00 H new ATOM 1128 N LYS A 71 4.903 18.505 3.877 1.00 0.00 N ATOM 1129 CA LYS A 71 3.523 18.152 4.188 1.00 0.00 C ATOM 1130 C LYS A 71 2.749 17.813 2.917 1.00 0.00 C ATOM 1131 O LYS A 71 1.610 17.351 2.978 1.00 0.00 O ATOM 1132 CB LYS A 71 2.834 19.302 4.926 1.00 0.00 C ATOM 1133 CG LYS A 71 2.042 18.856 6.143 1.00 0.00 C ATOM 1134 CD LYS A 71 1.416 20.038 6.865 1.00 0.00 C ATOM 1135 CE LYS A 71 2.429 20.753 7.745 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.783 21.771 8.620 1.00 0.00 N ATOM 0 H LYS A 71 5.119 19.496 3.986 1.00 0.00 H new ATOM 0 HA LYS A 71 3.535 17.272 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.587 20.025 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.165 19.816 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.261 18.161 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.697 18.316 6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.009 20.737 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.582 19.693 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.953 20.023 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.178 21.236 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.507 22.236 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.304 22.482 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.086 21.307 9.237 1.00 0.00 H new ATOM 1150 N ASP A 72 3.376 18.046 1.769 1.00 0.00 N ATOM 1151 CA ASP A 72 2.746 17.763 0.484 1.00 0.00 C ATOM 1152 C ASP A 72 3.657 16.906 -0.390 1.00 0.00 C ATOM 1153 O ASP A 72 4.403 17.408 -1.231 1.00 0.00 O ATOM 1154 CB ASP A 72 2.405 19.067 -0.238 1.00 0.00 C ATOM 1155 CG ASP A 72 1.548 19.989 0.606 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.400 19.610 0.921 1.00 0.00 O ATOM 1157 OD2 ASP A 72 2.025 21.089 0.953 1.00 0.00 O ATOM 0 H ASP A 72 4.319 18.430 1.702 1.00 0.00 H new ATOM 0 HA ASP A 72 1.826 17.209 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.327 19.580 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.882 18.839 -1.167 1.00 0.00 H new ATOM 1162 N PRO A 73 3.598 15.581 -0.187 1.00 0.00 N ATOM 1163 CA PRO A 73 4.411 14.627 -0.947 1.00 0.00 C ATOM 1164 C PRO A 73 3.973 14.523 -2.403 1.00 0.00 C ATOM 1165 O PRO A 73 3.443 13.497 -2.830 1.00 0.00 O ATOM 1166 CB PRO A 73 4.172 13.301 -0.220 1.00 0.00 C ATOM 1167 CG PRO A 73 2.841 13.460 0.431 1.00 0.00 C ATOM 1168 CD PRO A 73 2.731 14.914 0.799 1.00 0.00 C ATOM 0 HA PRO A 73 5.459 14.925 -0.987 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.175 12.462 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.952 13.107 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.038 13.167 -0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.761 12.827 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.702 15.268 0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.068 15.097 1.819 1.00 0.00 H new ATOM 1176 N SER A 74 4.197 15.591 -3.162 1.00 0.00 N ATOM 1177 CA SER A 74 3.823 15.620 -4.571 1.00 0.00 C ATOM 1178 C SER A 74 5.013 15.267 -5.457 1.00 0.00 C ATOM 1179 O SER A 74 5.063 14.207 -6.081 1.00 0.00 O ATOM 1180 CB SER A 74 3.283 17.001 -4.948 1.00 0.00 C ATOM 1181 OG SER A 74 1.866 17.007 -4.966 1.00 0.00 O ATOM 0 H SER A 74 4.636 16.448 -2.825 1.00 0.00 H new ATOM 0 HA SER A 74 3.042 14.876 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.644 17.743 -4.236 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.664 17.289 -5.928 1.00 0.00 H new ATOM 0 HG SER A 74 1.546 17.901 -5.208 1.00 0.00 H new ATOM 1187 N PRO A 75 5.996 16.178 -5.516 1.00 0.00 N ATOM 1188 CA PRO A 75 7.206 15.986 -6.322 1.00 0.00 C ATOM 1189 C PRO A 75 8.113 14.899 -5.757 1.00 0.00 C ATOM 1190 O PRO A 75 8.866 14.260 -6.493 1.00 0.00 O ATOM 1191 CB PRO A 75 7.898 17.350 -6.253 1.00 0.00 C ATOM 1192 CG PRO A 75 7.412 17.957 -4.982 1.00 0.00 C ATOM 1193 CD PRO A 75 6.004 17.464 -4.799 1.00 0.00 C ATOM 0 HA PRO A 75 6.973 15.662 -7.336 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.983 17.244 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.639 17.969 -7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.041 17.661 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.441 19.045 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.756 17.338 -3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.277 18.161 -5.216 1.00 0.00 H new ATOM 1201 N LEU A 76 8.037 14.694 -4.447 1.00 0.00 N ATOM 1202 CA LEU A 76 8.851 13.682 -3.782 1.00 0.00 C ATOM 1203 C LEU A 76 8.615 12.305 -4.393 1.00 0.00 C ATOM 1204 O LEU A 76 9.557 11.628 -4.807 1.00 0.00 O ATOM 1205 CB LEU A 76 8.538 13.649 -2.285 1.00 0.00 C ATOM 1206 CG LEU A 76 9.518 12.866 -1.411 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.772 13.686 -1.150 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.859 12.463 -0.100 1.00 0.00 C ATOM 0 H LEU A 76 7.420 15.215 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 76 9.899 13.946 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.497 14.675 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.543 13.223 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 76 9.806 11.959 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.458 13.113 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.255 13.923 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.503 14.610 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.571 11.907 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.542 13.357 0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.991 11.837 -0.306 1.00 0.00 H new ATOM 1220 N TYR A 77 7.352 11.897 -4.448 1.00 0.00 N ATOM 1221 CA TYR A 77 6.992 10.600 -5.009 1.00 0.00 C ATOM 1222 C TYR A 77 7.305 10.545 -6.501 1.00 0.00 C ATOM 1223 O TYR A 77 7.877 9.572 -6.991 1.00 0.00 O ATOM 1224 CB TYR A 77 5.507 10.316 -4.777 1.00 0.00 C ATOM 1225 CG TYR A 77 5.206 9.745 -3.410 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.514 8.425 -3.103 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.613 10.525 -2.425 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.240 7.899 -1.856 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.337 10.008 -1.174 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.651 8.694 -0.895 1.00 0.00 C ATOM 1231 OH TYR A 77 4.378 8.174 0.350 1.00 0.00 O ATOM 0 H TYR A 77 6.561 12.445 -4.111 1.00 0.00 H new ATOM 0 HA TYR A 77 7.585 9.837 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.944 11.240 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.156 9.619 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.976 7.800 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.363 11.553 -2.641 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.486 6.871 -1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.878 10.629 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 77 3.965 8.864 0.909 1.00 0.00 H new ATOM 1241 N ASP A 78 6.927 11.598 -7.217 1.00 0.00 N ATOM 1242 CA ASP A 78 7.168 11.673 -8.653 1.00 0.00 C ATOM 1243 C ASP A 78 8.634 11.397 -8.973 1.00 0.00 C ATOM 1244 O ASP A 78 8.949 10.732 -9.959 1.00 0.00 O ATOM 1245 CB ASP A 78 6.766 13.048 -9.189 1.00 0.00 C ATOM 1246 CG ASP A 78 6.247 12.987 -10.612 1.00 0.00 C ATOM 1247 OD1 ASP A 78 5.659 11.950 -10.985 1.00 0.00 O ATOM 1248 OD2 ASP A 78 6.429 13.976 -11.352 1.00 0.00 O ATOM 0 H ASP A 78 6.452 12.412 -6.826 1.00 0.00 H new ATOM 0 HA ASP A 78 6.559 10.911 -9.139 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.999 13.476 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.626 13.716 -9.148 1.00 0.00 H new ATOM 1253 N MET A 79 9.525 11.915 -8.134 1.00 0.00 N ATOM 1254 CA MET A 79 10.957 11.724 -8.328 1.00 0.00 C ATOM 1255 C MET A 79 11.367 10.295 -7.985 1.00 0.00 C ATOM 1256 O MET A 79 12.040 9.626 -8.770 1.00 0.00 O ATOM 1257 CB MET A 79 11.746 12.713 -7.468 1.00 0.00 C ATOM 1258 CG MET A 79 13.245 12.459 -7.469 1.00 0.00 C ATOM 1259 SD MET A 79 13.965 12.540 -5.818 1.00 0.00 S ATOM 1260 CE MET A 79 12.938 11.362 -4.943 1.00 0.00 C ATOM 0 H MET A 79 9.280 12.470 -7.314 1.00 0.00 H new ATOM 0 HA MET A 79 11.183 11.906 -9.379 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.557 13.725 -7.827 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.378 12.664 -6.443 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.443 11.477 -7.900 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.733 13.193 -8.110 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.428 11.072 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 79 11.974 11.817 -4.718 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.786 10.479 -5.564 1.00 0.00 H new ATOM 1270 N LEU A 80 10.956 9.833 -6.809 1.00 0.00 N ATOM 1271 CA LEU A 80 11.281 8.483 -6.363 1.00 0.00 C ATOM 1272 C LEU A 80 10.826 7.447 -7.385 1.00 0.00 C ATOM 1273 O LEU A 80 11.520 6.461 -7.636 1.00 0.00 O ATOM 1274 CB LEU A 80 10.626 8.201 -5.009 1.00 0.00 C ATOM 1275 CG LEU A 80 11.061 9.102 -3.853 1.00 0.00 C ATOM 1276 CD1 LEU A 80 10.111 8.954 -2.674 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.488 8.780 -3.434 1.00 0.00 C ATOM 0 H LEU A 80 10.398 10.373 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 80 12.364 8.412 -6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.546 8.289 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.834 7.167 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 80 11.028 10.137 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.437 9.603 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.104 9.235 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.111 7.918 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.781 9.431 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.547 7.740 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 80 13.159 8.938 -4.278 1.00 0.00 H new ATOM 1289 N ARG A 81 9.657 7.678 -7.975 1.00 0.00 N ATOM 1290 CA ARG A 81 9.111 6.765 -8.971 1.00 0.00 C ATOM 1291 C ARG A 81 10.222 6.169 -9.830 1.00 0.00 C ATOM 1292 O ARG A 81 10.368 4.949 -9.917 1.00 0.00 O ATOM 1293 CB ARG A 81 8.099 7.492 -9.860 1.00 0.00 C ATOM 1294 CG ARG A 81 6.964 6.605 -10.343 1.00 0.00 C ATOM 1295 CD ARG A 81 6.564 6.940 -11.771 1.00 0.00 C ATOM 1296 NE ARG A 81 6.332 5.741 -12.571 1.00 0.00 N ATOM 1297 CZ ARG A 81 5.983 5.768 -13.852 1.00 0.00 C ATOM 1298 NH1 ARG A 81 5.827 6.928 -14.476 1.00 0.00 N ATOM 1299 NH2 ARG A 81 5.789 4.634 -14.513 1.00 0.00 N ATOM 0 H ARG A 81 9.071 8.490 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 81 8.607 5.954 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.681 8.333 -9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.619 7.905 -10.724 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.268 5.560 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.103 6.724 -9.685 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.660 7.549 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.347 7.539 -12.235 1.00 0.00 H new ATOM 0 HE ARG A 81 6.444 4.832 -12.121 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.975 7.802 -13.972 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.559 6.946 -15.460 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.908 3.740 -14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.521 4.657 -15.497 1.00 0.00 H new ATOM 1313 N LYS A 82 11.003 7.037 -10.464 1.00 0.00 N ATOM 1314 CA LYS A 82 12.102 6.598 -11.316 1.00 0.00 C ATOM 1315 C LYS A 82 13.448 6.894 -10.663 1.00 0.00 C ATOM 1316 O LYS A 82 14.500 6.574 -11.215 1.00 0.00 O ATOM 1317 CB LYS A 82 12.023 7.286 -12.680 1.00 0.00 C ATOM 1318 CG LYS A 82 12.937 8.492 -12.807 1.00 0.00 C ATOM 1319 CD LYS A 82 12.543 9.595 -11.839 1.00 0.00 C ATOM 1320 CE LYS A 82 11.130 10.092 -12.106 1.00 0.00 C ATOM 1321 NZ LYS A 82 10.948 11.504 -11.669 1.00 0.00 N ATOM 0 H LYS A 82 10.895 8.049 -10.404 1.00 0.00 H new ATOM 0 HA LYS A 82 12.014 5.520 -11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.277 6.565 -13.457 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.995 7.599 -12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.967 8.191 -12.617 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.900 8.872 -13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.613 9.225 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.244 10.425 -11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.911 10.010 -13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.416 9.455 -11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.188 11.553 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.833 11.855 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.695 12.091 -12.489 1.00 0.00 H new ATOM 1335 N ASN A 83 13.407 7.505 -9.483 1.00 0.00 N ATOM 1336 CA ASN A 83 14.625 7.843 -8.755 1.00 0.00 C ATOM 1337 C ASN A 83 14.958 6.768 -7.725 1.00 0.00 C ATOM 1338 O ASN A 83 16.087 6.279 -7.666 1.00 0.00 O ATOM 1339 CB ASN A 83 14.470 9.199 -8.062 1.00 0.00 C ATOM 1340 CG ASN A 83 15.709 9.595 -7.284 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.814 9.621 -7.826 1.00 0.00 O ATOM 1342 ND2 ASN A 83 15.530 9.906 -6.005 1.00 0.00 N ATOM 0 H ASN A 83 12.544 7.776 -9.011 1.00 0.00 H new ATOM 0 HA ASN A 83 15.444 7.901 -9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.254 9.963 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.616 9.163 -7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.327 10.180 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.596 9.871 -5.597 1.00 0.00 H new ATOM 1349 N LEU A 84 13.969 6.405 -6.915 1.00 0.00 N ATOM 1350 CA LEU A 84 14.157 5.387 -5.887 1.00 0.00 C ATOM 1351 C LEU A 84 13.803 4.003 -6.421 1.00 0.00 C ATOM 1352 O LEU A 84 12.630 3.679 -6.608 1.00 0.00 O ATOM 1353 CB LEU A 84 13.300 5.708 -4.662 1.00 0.00 C ATOM 1354 CG LEU A 84 14.045 5.820 -3.332 1.00 0.00 C ATOM 1355 CD1 LEU A 84 14.928 4.601 -3.110 1.00 0.00 C ATOM 1356 CD2 LEU A 84 14.875 7.095 -3.290 1.00 0.00 C ATOM 0 H LEU A 84 13.029 6.800 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 84 15.208 5.387 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.779 6.648 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.538 4.935 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 84 13.309 5.862 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.450 4.699 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.311 3.703 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.656 4.527 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.398 7.157 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.602 7.083 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.220 7.959 -3.402 1.00 0.00 H new ATOM 1368 N VAL A 85 14.826 3.188 -6.662 1.00 0.00 N ATOM 1369 CA VAL A 85 14.623 1.837 -7.171 1.00 0.00 C ATOM 1370 C VAL A 85 13.444 1.161 -6.481 1.00 0.00 C ATOM 1371 O VAL A 85 13.193 1.382 -5.295 1.00 0.00 O ATOM 1372 CB VAL A 85 15.882 0.970 -6.979 1.00 0.00 C ATOM 1373 CG1 VAL A 85 15.502 -0.429 -6.518 1.00 0.00 C ATOM 1374 CG2 VAL A 85 16.691 0.915 -8.266 1.00 0.00 C ATOM 0 H VAL A 85 15.803 3.440 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 85 14.413 1.929 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 85 16.501 1.425 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.404 -1.027 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 85 14.968 -0.367 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 85 14.861 -0.897 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.577 0.299 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.082 0.484 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 85 16.995 1.923 -8.548 1.00 0.00 H new ATOM 1499 N PHE B 119 10.540 18.802 11.048 1.00 0.00 N ATOM 1500 CA PHE B 119 10.438 17.609 10.214 1.00 0.00 C ATOM 1501 C PHE B 119 9.799 16.459 10.987 1.00 0.00 C ATOM 1502 O PHE B 119 8.881 15.801 10.497 1.00 0.00 O ATOM 1503 CB PHE B 119 11.821 17.194 9.710 1.00 0.00 C ATOM 1504 CG PHE B 119 12.045 17.496 8.256 1.00 0.00 C ATOM 1505 CD1 PHE B 119 11.014 17.360 7.340 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.286 17.916 7.805 1.00 0.00 C ATOM 1507 CE1 PHE B 119 11.217 17.636 6.001 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.495 18.194 6.467 1.00 0.00 C ATOM 1509 CZ PHE B 119 12.459 18.055 5.565 1.00 0.00 C ATOM 0 HA PHE B 119 9.804 17.846 9.360 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.582 17.704 10.300 1.00 0.00 H new ATOM 0 HB3 PHE B 119 11.953 16.125 9.875 1.00 0.00 H new ATOM 0 HD1 PHE B 119 10.041 17.035 7.676 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.099 18.027 8.507 1.00 0.00 H new ATOM 0 HE1 PHE B 119 10.406 17.524 5.297 1.00 0.00 H new ATOM 0 HE2 PHE B 119 14.467 18.519 6.128 1.00 0.00 H new ATOM 0 HZ PHE B 119 12.619 18.274 4.520 1.00 0.00 H new ATOM 1519 N SER B 120 10.292 16.222 12.199 1.00 0.00 N ATOM 1520 CA SER B 120 9.773 15.149 13.039 1.00 0.00 C ATOM 1521 C SER B 120 8.276 15.321 13.277 1.00 0.00 C ATOM 1522 O SER B 120 7.563 14.353 13.539 1.00 0.00 O ATOM 1523 CB SER B 120 10.514 15.117 14.377 1.00 0.00 C ATOM 1524 OG SER B 120 10.744 13.785 14.800 1.00 0.00 O ATOM 0 H SER B 120 11.050 16.759 12.621 1.00 0.00 H new ATOM 0 HA SER B 120 9.934 14.204 12.520 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.465 15.641 14.282 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.932 15.646 15.131 1.00 0.00 H new ATOM 0 HG SER B 120 11.220 13.791 15.656 1.00 0.00 H new ATOM 1530 N ASP B 121 7.807 16.561 13.184 1.00 0.00 N ATOM 1531 CA ASP B 121 6.395 16.861 13.388 1.00 0.00 C ATOM 1532 C ASP B 121 5.606 16.670 12.097 1.00 0.00 C ATOM 1533 O ASP B 121 4.551 16.035 12.089 1.00 0.00 O ATOM 1534 CB ASP B 121 6.225 18.294 13.897 1.00 0.00 C ATOM 1535 CG ASP B 121 4.961 18.471 14.715 1.00 0.00 C ATOM 1536 OD1 ASP B 121 3.894 18.003 14.267 1.00 0.00 O ATOM 1537 OD2 ASP B 121 5.039 19.079 15.804 1.00 0.00 O ATOM 0 H ASP B 121 8.384 17.374 12.969 1.00 0.00 H new ATOM 0 HA ASP B 121 6.006 16.169 14.135 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.088 18.566 14.504 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.204 18.978 13.049 1.00 0.00 H new ATOM 1542 N LEU B 122 6.124 17.225 11.006 1.00 0.00 N ATOM 1543 CA LEU B 122 5.468 17.117 9.708 1.00 0.00 C ATOM 1544 C LEU B 122 5.877 15.831 8.996 1.00 0.00 C ATOM 1545 O LEU B 122 5.033 15.000 8.661 1.00 0.00 O ATOM 1546 CB LEU B 122 5.813 18.327 8.838 1.00 0.00 C ATOM 1547 CG LEU B 122 5.815 19.683 9.544 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.028 20.807 8.542 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.515 19.887 10.309 1.00 0.00 C ATOM 0 H LEU B 122 6.996 17.754 10.995 1.00 0.00 H new ATOM 0 HA LEU B 122 4.391 17.092 9.874 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.799 18.166 8.401 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.102 18.371 8.013 1.00 0.00 H new ATOM 0 HG LEU B 122 6.640 19.699 10.257 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.026 21.764 9.063 1.00 0.00 H new ATOM 0 HD12 LEU B 122 6.985 20.669 8.039 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.225 20.794 7.805 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.533 20.857 10.806 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.675 19.850 9.615 1.00 0.00 H new ATOM 0 HD23 LEU B 122 4.404 19.100 11.055 1.00 0.00 H new ATOM 1561 N TRP B 123 7.177 15.675 8.770 1.00 0.00 N ATOM 1562 CA TRP B 123 7.698 14.488 8.101 1.00 0.00 C ATOM 1563 C TRP B 123 6.910 13.246 8.502 1.00 0.00 C ATOM 1564 O TRP B 123 6.379 12.533 7.650 1.00 0.00 O ATOM 1565 CB TRP B 123 9.179 14.299 8.434 1.00 0.00 C ATOM 1566 CG TRP B 123 9.942 13.584 7.361 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.504 12.342 7.444 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.230 14.070 6.045 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.124 12.026 6.258 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.969 13.069 5.384 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.933 15.251 5.361 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.414 13.217 4.073 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.376 15.397 4.060 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.109 14.385 3.427 1.00 0.00 C ATOM 0 H TRP B 123 7.888 16.354 9.040 1.00 0.00 H new ATOM 0 HA TRP B 123 7.590 14.631 7.026 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.633 15.275 8.604 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.266 13.740 9.366 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.467 11.702 8.313 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.619 11.156 6.061 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.367 16.036 5.840 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.980 12.438 3.583 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 10.153 16.307 3.522 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.440 14.529 2.409 1.00 0.00 H new ATOM 1585 N LYS B 124 6.838 12.992 9.804 1.00 0.00 N ATOM 1586 CA LYS B 124 6.113 11.836 10.319 1.00 0.00 C ATOM 1587 C LYS B 124 4.790 11.651 9.583 1.00 0.00 C ATOM 1588 O LYS B 124 4.405 10.530 9.248 1.00 0.00 O ATOM 1589 CB LYS B 124 5.857 11.996 11.819 1.00 0.00 C ATOM 1590 CG LYS B 124 4.854 13.088 12.152 1.00 0.00 C ATOM 1591 CD LYS B 124 3.424 12.602 11.986 1.00 0.00 C ATOM 1592 CE LYS B 124 2.674 12.614 13.309 1.00 0.00 C ATOM 1593 NZ LYS B 124 1.669 11.519 13.388 1.00 0.00 N ATOM 0 H LYS B 124 7.273 13.571 10.522 1.00 0.00 H new ATOM 0 HA LYS B 124 6.727 10.950 10.154 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.497 11.049 12.221 1.00 0.00 H new ATOM 0 HB3 LYS B 124 6.800 12.216 12.319 1.00 0.00 H new ATOM 0 HG2 LYS B 124 5.008 13.424 13.177 1.00 0.00 H new ATOM 0 HG3 LYS B 124 5.024 13.949 11.505 1.00 0.00 H new ATOM 0 HD2 LYS B 124 2.905 13.235 11.266 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.427 11.591 11.578 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.384 12.515 14.130 1.00 0.00 H new ATOM 0 HE3 LYS B 124 2.175 13.575 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 1.180 11.562 14.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 0.976 11.628 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 2.148 10.601 13.294 1.00 0.00 H new ATOM 1607 N LEU B 125 4.098 12.757 9.333 1.00 0.00 N ATOM 1608 CA LEU B 125 2.817 12.718 8.635 1.00 0.00 C ATOM 1609 C LEU B 125 2.895 11.816 7.407 1.00 0.00 C ATOM 1610 O LEU B 125 2.011 10.991 7.172 1.00 0.00 O ATOM 1611 CB LEU B 125 2.396 14.128 8.221 1.00 0.00 C ATOM 1612 CG LEU B 125 2.157 15.119 9.360 1.00 0.00 C ATOM 1613 CD1 LEU B 125 1.828 16.498 8.809 1.00 0.00 C ATOM 1614 CD2 LEU B 125 1.041 14.627 10.270 1.00 0.00 C ATOM 0 H LEU B 125 4.402 13.692 9.603 1.00 0.00 H new ATOM 0 HA LEU B 125 2.071 12.310 9.317 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.165 14.537 7.566 1.00 0.00 H new ATOM 0 HB3 LEU B 125 1.481 14.054 7.632 1.00 0.00 H new ATOM 0 HG LEU B 125 3.072 15.194 9.948 1.00 0.00 H new ATOM 0 HD11 LEU B 125 1.661 17.190 9.635 1.00 0.00 H new ATOM 0 HD12 LEU B 125 2.659 16.854 8.200 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.928 16.440 8.197 1.00 0.00 H new ATOM 0 HD21 LEU B 125 0.885 15.345 11.075 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.122 14.522 9.694 1.00 0.00 H new ATOM 0 HD23 LEU B 125 1.316 13.661 10.694 1.00 0.00 H new ATOM 1626 N LEU B 126 3.958 11.978 6.627 1.00 0.00 N ATOM 1627 CA LEU B 126 4.153 11.177 5.423 1.00 0.00 C ATOM 1628 C LEU B 126 4.004 9.690 5.729 1.00 0.00 C ATOM 1629 O LEU B 126 4.864 9.071 6.357 1.00 0.00 O ATOM 1630 CB LEU B 126 5.533 11.451 4.823 1.00 0.00 C ATOM 1631 CG LEU B 126 5.588 12.514 3.725 1.00 0.00 C ATOM 1632 CD1 LEU B 126 5.959 13.867 4.310 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.577 12.110 2.641 1.00 0.00 C ATOM 0 H LEU B 126 4.698 12.657 6.806 1.00 0.00 H new ATOM 0 HA LEU B 126 3.387 11.459 4.700 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.203 11.753 5.628 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.923 10.517 4.417 1.00 0.00 H new ATOM 0 HG LEU B 126 4.599 12.595 3.275 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.993 14.611 3.514 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.214 14.161 5.049 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.937 13.801 4.787 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.603 12.878 1.868 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.570 12.000 3.077 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.267 11.162 2.201 1.00 0.00 H new