USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 7 LYS NZ :NH3+ 144:sc= 1.22 (180deg=-1.18) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.144 K(o=1.4,f=-7.1) USER MOD Set 2.1: A 41 ASN : amide:sc= -0.306 K(o=-4.9,f=-12!) USER MOD Set 2.2: A 44 ASN : amide:sc= -4.55! C(o=-4.9!,f=-4.7!) USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0384) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00541) USER MOD Single : A 9 LYS NZ :NH3+ -150:sc= 0.819 (180deg=-0.062) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 138:sc= -2.08! (180deg=-4.57!) USER MOD Single : A 22 SER OG : rot -60:sc= 0.0714 USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= -0.201 (180deg=-0.796) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -150:sc= 0.695 USER MOD Single : A 43 MET CE :methyl -172:sc= -0.0218 (180deg=-0.14) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -153:sc= 0 (180deg=-0.317) USER MOD Single : A 51 TYR OH : rot -81:sc= 0.363 USER MOD Single : A 56 MET CE :methyl 173:sc= -1.53 (180deg=-1.73) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc=-0.00487 X(o=-0.0049,f=-0.052) USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.0478 USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0196) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.311 USER MOD Single : A 79 THR OG1 : rot 152:sc= 0.0468 USER MOD Single : A 82 GLN : amide:sc=-0.00202 X(o=-0.002,f=-0.27) USER MOD Single : A 84 LYS NZ :NH3+ 171:sc= 0.348 (180deg=0.104) USER MOD Single : A 87 SER OG : rot -149:sc= 0.0209 USER MOD Single : A 101 PNS O33 : rot 180:sc= 0.00998 USER MOD Single : A 101 PNS S44 : rot 180:sc= -1.34 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.206 4.368 -6.046 1.00 0.00 N ATOM 2 CA MET A 1 14.801 3.911 -5.900 1.00 0.00 C ATOM 3 C MET A 1 14.442 3.818 -4.410 1.00 0.00 C ATOM 4 O MET A 1 15.150 3.154 -3.640 1.00 0.00 O ATOM 5 CB MET A 1 14.582 2.534 -6.595 1.00 0.00 C ATOM 6 CG MET A 1 14.958 2.488 -8.088 1.00 0.00 C ATOM 7 SD MET A 1 14.132 3.750 -9.088 1.00 0.00 S ATOM 8 CE MET A 1 12.395 3.325 -8.915 1.00 0.00 C ATOM 0 H1 MET A 1 16.437 4.463 -7.056 1.00 0.00 H new ATOM 0 H2 MET A 1 16.322 5.288 -5.576 1.00 0.00 H new ATOM 0 H3 MET A 1 16.844 3.673 -5.609 1.00 0.00 H new ATOM 0 HA MET A 1 14.149 4.637 -6.386 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.166 1.781 -6.066 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.533 2.255 -6.492 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.037 2.609 -8.185 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.711 1.504 -8.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.796 3.973 -9.555 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.244 2.286 -9.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.090 3.457 -7.877 1.00 0.00 H new ATOM 20 N ASP A 2 13.361 4.504 -4.010 1.00 0.00 N ATOM 21 CA ASP A 2 12.880 4.511 -2.615 1.00 0.00 C ATOM 22 C ASP A 2 12.356 3.123 -2.201 1.00 0.00 C ATOM 23 O ASP A 2 13.068 2.413 -1.493 1.00 0.00 O ATOM 24 CB ASP A 2 11.846 5.653 -2.385 1.00 0.00 C ATOM 25 CG ASP A 2 10.814 5.803 -3.515 1.00 0.00 C ATOM 26 OD1 ASP A 2 11.149 6.407 -4.559 1.00 0.00 O ATOM 27 OD2 ASP A 2 9.680 5.311 -3.377 1.00 0.00 O ATOM 0 H ASP A 2 12.794 5.070 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 2 13.723 4.726 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.319 5.468 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.381 6.595 -2.269 1.00 0.00 H new ATOM 32 N GLY A 3 11.141 2.745 -2.659 1.00 0.00 N ATOM 33 CA GLY A 3 10.580 1.397 -2.468 1.00 0.00 C ATOM 34 C GLY A 3 10.212 1.045 -1.019 1.00 0.00 C ATOM 35 O GLY A 3 9.042 0.861 -0.686 1.00 0.00 O ATOM 0 H GLY A 3 10.523 3.373 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.688 1.300 -3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.301 0.665 -2.832 1.00 0.00 H new ATOM 39 N GLU A 4 11.241 0.922 -0.176 1.00 0.00 N ATOM 40 CA GLU A 4 11.123 0.611 1.257 1.00 0.00 C ATOM 41 C GLU A 4 10.396 1.736 2.010 1.00 0.00 C ATOM 42 O GLU A 4 9.657 1.478 2.974 1.00 0.00 O ATOM 43 CB GLU A 4 12.545 0.407 1.836 1.00 0.00 C ATOM 44 CG GLU A 4 13.422 -0.540 1.009 1.00 0.00 C ATOM 45 CD GLU A 4 14.890 -0.576 1.468 1.00 0.00 C ATOM 46 OE1 GLU A 4 15.699 0.245 0.977 1.00 0.00 O ATOM 47 OE2 GLU A 4 15.245 -1.434 2.309 1.00 0.00 O ATOM 0 H GLU A 4 12.208 1.039 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 4 10.535 -0.298 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.040 1.375 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.461 0.016 2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.008 -1.547 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.384 -0.236 -0.037 1.00 0.00 H new ATOM 54 N GLU A 5 10.656 2.981 1.558 1.00 0.00 N ATOM 55 CA GLU A 5 9.945 4.191 2.023 1.00 0.00 C ATOM 56 C GLU A 5 8.428 3.991 1.880 1.00 0.00 C ATOM 57 O GLU A 5 7.678 4.162 2.842 1.00 0.00 O ATOM 58 CB GLU A 5 10.392 5.432 1.205 1.00 0.00 C ATOM 59 CG GLU A 5 11.888 5.781 1.331 1.00 0.00 C ATOM 60 CD GLU A 5 12.268 6.268 2.739 1.00 0.00 C ATOM 61 OE1 GLU A 5 12.008 7.445 3.061 1.00 0.00 O ATOM 62 OE2 GLU A 5 12.809 5.481 3.541 1.00 0.00 O ATOM 0 H GLU A 5 11.370 3.176 0.856 1.00 0.00 H new ATOM 0 HA GLU A 5 10.190 4.358 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.160 5.260 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.804 6.292 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.484 4.903 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.139 6.553 0.604 1.00 0.00 H new ATOM 69 N VAL A 6 8.024 3.588 0.658 1.00 0.00 N ATOM 70 CA VAL A 6 6.627 3.270 0.304 1.00 0.00 C ATOM 71 C VAL A 6 6.042 2.218 1.266 1.00 0.00 C ATOM 72 O VAL A 6 5.005 2.451 1.885 1.00 0.00 O ATOM 73 CB VAL A 6 6.540 2.741 -1.189 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.113 2.296 -1.590 1.00 0.00 C ATOM 75 CG2 VAL A 6 7.098 3.787 -2.180 1.00 0.00 C ATOM 0 H VAL A 6 8.670 3.473 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 6 6.042 4.185 0.392 1.00 0.00 H new ATOM 0 HB VAL A 6 7.164 1.849 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.118 1.944 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.785 1.490 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.429 3.140 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.027 3.400 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.520 4.708 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.142 3.993 -1.942 1.00 0.00 H new ATOM 85 N LYS A 7 6.766 1.098 1.423 1.00 0.00 N ATOM 86 CA LYS A 7 6.292 -0.081 2.165 1.00 0.00 C ATOM 87 C LYS A 7 6.006 0.214 3.646 1.00 0.00 C ATOM 88 O LYS A 7 4.926 -0.123 4.143 1.00 0.00 O ATOM 89 CB LYS A 7 7.319 -1.234 2.039 1.00 0.00 C ATOM 90 CG LYS A 7 7.424 -1.816 0.615 1.00 0.00 C ATOM 91 CD LYS A 7 8.373 -3.031 0.523 1.00 0.00 C ATOM 92 CE LYS A 7 9.849 -2.655 0.687 1.00 0.00 C ATOM 93 NZ LYS A 7 10.709 -3.842 0.885 1.00 0.00 N ATOM 0 H LYS A 7 7.703 0.985 1.036 1.00 0.00 H new ATOM 0 HA LYS A 7 5.344 -0.376 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.300 -0.871 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.043 -2.032 2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.431 -2.112 0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.773 -1.038 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.101 -3.755 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.234 -3.521 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.183 -2.109 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.959 -1.983 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.622 -3.692 0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.868 -3.990 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.242 -4.680 0.482 1.00 0.00 H new ATOM 107 N GLU A 8 6.973 0.837 4.351 1.00 0.00 N ATOM 108 CA GLU A 8 6.836 1.136 5.773 1.00 0.00 C ATOM 109 C GLU A 8 5.753 2.201 6.023 1.00 0.00 C ATOM 110 O GLU A 8 5.035 2.126 7.033 1.00 0.00 O ATOM 111 CB GLU A 8 8.211 1.538 6.380 1.00 0.00 C ATOM 112 CG GLU A 8 8.110 2.140 7.789 1.00 0.00 C ATOM 113 CD GLU A 8 9.419 2.128 8.591 1.00 0.00 C ATOM 114 OE1 GLU A 8 9.720 1.102 9.241 1.00 0.00 O ATOM 115 OE2 GLU A 8 10.146 3.138 8.588 1.00 0.00 O ATOM 0 H GLU A 8 7.859 1.140 3.946 1.00 0.00 H new ATOM 0 HA GLU A 8 6.504 0.232 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.854 0.659 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.693 2.259 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.762 3.169 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.352 1.592 8.349 1.00 0.00 H new ATOM 122 N LYS A 9 5.624 3.171 5.103 1.00 0.00 N ATOM 123 CA LYS A 9 4.556 4.184 5.162 1.00 0.00 C ATOM 124 C LYS A 9 3.167 3.522 5.119 1.00 0.00 C ATOM 125 O LYS A 9 2.352 3.710 6.031 1.00 0.00 O ATOM 126 CB LYS A 9 4.704 5.203 3.997 1.00 0.00 C ATOM 127 CG LYS A 9 5.809 6.251 4.218 1.00 0.00 C ATOM 128 CD LYS A 9 5.939 7.231 3.029 1.00 0.00 C ATOM 129 CE LYS A 9 6.930 8.370 3.323 1.00 0.00 C ATOM 130 NZ LYS A 9 6.542 9.132 4.540 1.00 0.00 N ATOM 0 H LYS A 9 6.250 3.275 4.305 1.00 0.00 H new ATOM 0 HA LYS A 9 4.651 4.719 6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.913 4.658 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.753 5.717 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.596 6.813 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.761 5.744 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.267 6.685 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.961 7.653 2.799 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.930 7.958 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.973 9.045 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.859 10.118 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.508 9.110 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.987 8.702 5.376 1.00 0.00 H new ATOM 144 N ILE A 10 2.927 2.733 4.061 1.00 0.00 N ATOM 145 CA ILE A 10 1.617 2.106 3.805 1.00 0.00 C ATOM 146 C ILE A 10 1.238 1.158 4.937 1.00 0.00 C ATOM 147 O ILE A 10 0.125 1.245 5.462 1.00 0.00 O ATOM 148 CB ILE A 10 1.619 1.338 2.442 1.00 0.00 C ATOM 149 CG1 ILE A 10 1.945 2.326 1.297 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.279 0.595 2.170 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.078 1.688 -0.062 1.00 0.00 C ATOM 0 H ILE A 10 3.633 2.511 3.359 1.00 0.00 H new ATOM 0 HA ILE A 10 0.875 2.902 3.753 1.00 0.00 H new ATOM 0 HB ILE A 10 2.389 0.568 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.162 3.083 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.875 2.843 1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.337 0.080 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.099 -0.132 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.538 1.316 2.146 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.307 2.454 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.882 0.952 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.142 1.196 -0.326 1.00 0.00 H new ATOM 163 N ARG A 11 2.204 0.285 5.330 1.00 0.00 N ATOM 164 CA ARG A 11 1.999 -0.720 6.388 1.00 0.00 C ATOM 165 C ARG A 11 1.604 -0.037 7.691 1.00 0.00 C ATOM 166 O ARG A 11 0.729 -0.522 8.399 1.00 0.00 O ATOM 167 CB ARG A 11 3.248 -1.641 6.571 1.00 0.00 C ATOM 168 CG ARG A 11 4.480 -1.098 7.348 1.00 0.00 C ATOM 169 CD ARG A 11 4.490 -1.414 8.873 1.00 0.00 C ATOM 170 NE ARG A 11 5.684 -2.170 9.291 1.00 0.00 N ATOM 171 CZ ARG A 11 6.887 -1.648 9.578 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.088 -0.337 9.497 1.00 0.00 N ATOM 173 NH2 ARG A 11 7.880 -2.447 9.931 1.00 0.00 N ATOM 0 H ARG A 11 3.138 0.264 4.920 1.00 0.00 H new ATOM 0 HA ARG A 11 1.181 -1.372 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.916 -2.549 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.589 -1.934 5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.384 -1.512 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.526 -0.017 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.442 -0.480 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.597 -1.985 9.127 1.00 0.00 H new ATOM 0 HE ARG A 11 5.587 -3.182 9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.326 0.279 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.005 0.053 9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.730 -3.454 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.796 -2.056 10.150 1.00 0.00 H new ATOM 187 N ARG A 12 2.230 1.128 7.956 1.00 0.00 N ATOM 188 CA ARG A 12 1.967 1.923 9.150 1.00 0.00 C ATOM 189 C ARG A 12 0.501 2.373 9.162 1.00 0.00 C ATOM 190 O ARG A 12 -0.196 2.163 10.150 1.00 0.00 O ATOM 191 CB ARG A 12 2.948 3.151 9.239 1.00 0.00 C ATOM 192 CG ARG A 12 3.954 3.127 10.411 1.00 0.00 C ATOM 193 CD ARG A 12 4.859 1.891 10.388 1.00 0.00 C ATOM 194 NE ARG A 12 5.826 1.857 11.508 1.00 0.00 N ATOM 195 CZ ARG A 12 6.924 2.641 11.626 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.226 3.567 10.717 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.736 2.471 12.656 1.00 0.00 N ATOM 0 H ARG A 12 2.933 1.536 7.339 1.00 0.00 H new ATOM 0 HA ARG A 12 2.145 1.306 10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.508 3.212 8.306 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.354 4.062 9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.571 4.025 10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.408 3.155 11.354 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.240 0.994 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.404 1.865 9.445 1.00 0.00 H new ATOM 0 HE ARG A 12 5.650 1.185 12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.623 3.700 9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.060 4.143 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.533 1.754 13.353 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.565 3.057 12.754 1.00 0.00 H new ATOM 211 N TYR A 13 0.033 2.924 8.029 1.00 0.00 N ATOM 212 CA TYR A 13 -1.333 3.452 7.901 1.00 0.00 C ATOM 213 C TYR A 13 -2.385 2.334 8.036 1.00 0.00 C ATOM 214 O TYR A 13 -3.476 2.560 8.586 1.00 0.00 O ATOM 215 CB TYR A 13 -1.499 4.168 6.557 1.00 0.00 C ATOM 216 CG TYR A 13 -2.796 4.982 6.448 1.00 0.00 C ATOM 217 CD1 TYR A 13 -3.030 6.060 7.308 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.766 4.688 5.498 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.181 6.806 7.216 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.918 5.433 5.408 1.00 0.00 C ATOM 221 CZ TYR A 13 -5.123 6.488 6.265 1.00 0.00 C ATOM 222 OH TYR A 13 -6.292 7.210 6.185 1.00 0.00 O ATOM 0 H TYR A 13 0.590 3.015 7.180 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.492 4.164 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.649 4.833 6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.476 3.429 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.294 6.311 8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.613 3.862 4.820 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.345 7.637 7.886 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.662 5.189 4.664 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.846 6.856 5.459 1.00 0.00 H new ATOM 232 N ILE A 14 -2.044 1.130 7.535 1.00 0.00 N ATOM 233 CA ILE A 14 -2.894 -0.065 7.680 1.00 0.00 C ATOM 234 C ILE A 14 -3.102 -0.371 9.173 1.00 0.00 C ATOM 235 O ILE A 14 -4.190 -0.722 9.600 1.00 0.00 O ATOM 236 CB ILE A 14 -2.265 -1.312 6.950 1.00 0.00 C ATOM 237 CG1 ILE A 14 -2.046 -1.008 5.438 1.00 0.00 C ATOM 238 CG2 ILE A 14 -3.131 -2.589 7.126 1.00 0.00 C ATOM 239 CD1 ILE A 14 -1.074 -1.943 4.749 1.00 0.00 C ATOM 0 H ILE A 14 -1.178 0.961 7.023 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.857 0.140 7.212 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.299 -1.506 7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.007 -1.060 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.684 0.015 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.659 -3.423 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.219 -2.825 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.123 -2.416 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.980 -1.661 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.099 -1.875 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.443 -2.966 4.818 1.00 0.00 H new ATOM 251 N MET A 15 -2.044 -0.176 9.952 1.00 0.00 N ATOM 252 CA MET A 15 -2.027 -0.449 11.399 1.00 0.00 C ATOM 253 C MET A 15 -2.768 0.631 12.206 1.00 0.00 C ATOM 254 O MET A 15 -3.338 0.334 13.257 1.00 0.00 O ATOM 255 CB MET A 15 -0.551 -0.567 11.846 1.00 0.00 C ATOM 256 CG MET A 15 0.197 -1.684 11.109 1.00 0.00 C ATOM 257 SD MET A 15 1.985 -1.484 11.077 1.00 0.00 S ATOM 258 CE MET A 15 2.372 -1.497 12.804 1.00 0.00 C ATOM 0 H MET A 15 -1.157 0.181 9.598 1.00 0.00 H new ATOM 0 HA MET A 15 -2.557 -1.381 11.593 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.045 0.382 11.671 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.513 -0.755 12.919 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.042 -2.637 11.581 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.169 -1.735 10.084 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.268 -2.095 12.972 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.547 -0.477 13.145 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.539 -1.927 13.360 1.00 0.00 H new ATOM 268 N GLU A 16 -2.750 1.877 11.704 1.00 0.00 N ATOM 269 CA GLU A 16 -3.373 3.036 12.376 1.00 0.00 C ATOM 270 C GLU A 16 -4.879 3.099 12.067 1.00 0.00 C ATOM 271 O GLU A 16 -5.725 2.832 12.927 1.00 0.00 O ATOM 272 CB GLU A 16 -2.686 4.360 11.915 1.00 0.00 C ATOM 273 CG GLU A 16 -1.154 4.394 12.053 1.00 0.00 C ATOM 274 CD GLU A 16 -0.640 4.258 13.495 1.00 0.00 C ATOM 275 OE1 GLU A 16 -0.558 3.123 14.016 1.00 0.00 O ATOM 276 OE2 GLU A 16 -0.296 5.283 14.111 1.00 0.00 O ATOM 0 H GLU A 16 -2.302 2.112 10.818 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.241 2.918 13.451 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.943 4.538 10.871 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.104 5.185 12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.730 3.589 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.785 5.331 11.636 1.00 0.00 H new ATOM 283 N ASP A 17 -5.183 3.435 10.809 1.00 0.00 N ATOM 284 CA ASP A 17 -6.536 3.760 10.337 1.00 0.00 C ATOM 285 C ASP A 17 -7.371 2.496 10.023 1.00 0.00 C ATOM 286 O ASP A 17 -8.535 2.393 10.437 1.00 0.00 O ATOM 287 CB ASP A 17 -6.407 4.665 9.094 1.00 0.00 C ATOM 288 CG ASP A 17 -7.730 4.937 8.355 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.557 5.727 8.858 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.940 4.384 7.256 1.00 0.00 O ATOM 0 H ASP A 17 -4.480 3.490 10.072 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.072 4.281 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.974 5.618 9.399 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.706 4.205 8.398 1.00 0.00 H new ATOM 295 N LEU A 18 -6.760 1.537 9.296 1.00 0.00 N ATOM 296 CA LEU A 18 -7.474 0.351 8.763 1.00 0.00 C ATOM 297 C LEU A 18 -7.741 -0.695 9.878 1.00 0.00 C ATOM 298 O LEU A 18 -8.834 -1.262 9.946 1.00 0.00 O ATOM 299 CB LEU A 18 -6.690 -0.304 7.580 1.00 0.00 C ATOM 300 CG LEU A 18 -6.621 0.480 6.214 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.946 1.863 6.326 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.914 -0.373 5.151 1.00 0.00 C ATOM 0 H LEU A 18 -5.767 1.559 9.062 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.435 0.699 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.668 -0.482 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.136 -1.279 7.383 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.652 0.669 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.935 2.343 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.503 2.484 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.923 1.741 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.872 0.178 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.901 -0.602 5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.466 -1.301 5.003 1.00 0.00 H new ATOM 314 N ILE A 19 -6.722 -0.957 10.730 1.00 0.00 N ATOM 315 CA ILE A 19 -6.835 -1.919 11.853 1.00 0.00 C ATOM 316 C ILE A 19 -7.017 -1.153 13.177 1.00 0.00 C ATOM 317 O ILE A 19 -8.150 -0.836 13.556 1.00 0.00 O ATOM 318 CB ILE A 19 -5.586 -2.904 11.920 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.311 -3.571 10.532 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.773 -3.988 13.021 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.986 -4.330 10.460 1.00 0.00 C ATOM 0 H ILE A 19 -5.807 -0.513 10.660 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.713 -2.542 11.682 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.716 -2.302 12.185 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.125 -4.259 10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.319 -2.800 9.762 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.902 -4.643 13.039 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.884 -3.505 13.992 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.665 -4.576 12.805 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.869 -4.763 9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.162 -3.644 10.656 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.981 -5.125 11.206 1.00 0.00 H new ATOM 333 N GLY A 20 -5.904 -0.844 13.877 1.00 0.00 N ATOM 334 CA GLY A 20 -5.947 -0.193 15.182 1.00 0.00 C ATOM 335 C GLY A 20 -5.321 -1.051 16.293 1.00 0.00 C ATOM 336 O GLY A 20 -4.163 -0.837 16.649 1.00 0.00 O ATOM 0 H GLY A 20 -4.960 -1.042 13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.422 0.761 15.125 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.983 0.028 15.439 1.00 0.00 H new ATOM 340 N PRO A 21 -6.059 -2.063 16.851 1.00 0.00 N ATOM 341 CA PRO A 21 -5.613 -2.831 18.034 1.00 0.00 C ATOM 342 C PRO A 21 -4.716 -4.058 17.691 1.00 0.00 C ATOM 343 O PRO A 21 -3.644 -4.230 18.289 1.00 0.00 O ATOM 344 CB PRO A 21 -6.959 -3.238 18.693 1.00 0.00 C ATOM 345 CG PRO A 21 -8.003 -3.205 17.590 1.00 0.00 C ATOM 346 CD PRO A 21 -7.374 -2.537 16.371 1.00 0.00 C ATOM 0 HA PRO A 21 -4.963 -2.249 18.687 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.891 -4.233 19.134 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.221 -2.550 19.497 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.332 -4.215 17.345 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.885 -2.653 17.915 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.266 -3.239 15.544 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.987 -1.711 16.010 1.00 0.00 H new ATOM 354 N SER A 22 -5.152 -4.899 16.730 1.00 0.00 N ATOM 355 CA SER A 22 -4.428 -6.127 16.323 1.00 0.00 C ATOM 356 C SER A 22 -3.345 -5.784 15.273 1.00 0.00 C ATOM 357 O SER A 22 -3.346 -6.306 14.145 1.00 0.00 O ATOM 358 CB SER A 22 -5.452 -7.157 15.783 1.00 0.00 C ATOM 359 OG SER A 22 -4.852 -8.413 15.503 1.00 0.00 O ATOM 0 H SER A 22 -6.017 -4.748 16.212 1.00 0.00 H new ATOM 0 HA SER A 22 -3.917 -6.566 17.180 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.249 -7.292 16.514 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.914 -6.767 14.876 1.00 0.00 H new ATOM 0 HG SER A 22 -4.157 -8.299 14.822 1.00 0.00 H new ATOM 365 N ALA A 23 -2.410 -4.905 15.664 1.00 0.00 N ATOM 366 CA ALA A 23 -1.370 -4.387 14.777 1.00 0.00 C ATOM 367 C ALA A 23 -0.187 -3.886 15.606 1.00 0.00 C ATOM 368 O ALA A 23 -0.167 -2.730 16.051 1.00 0.00 O ATOM 369 CB ALA A 23 -1.941 -3.282 13.869 1.00 0.00 C ATOM 0 H ALA A 23 -2.358 -4.534 16.613 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.013 -5.187 14.129 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.155 -2.906 13.214 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.752 -3.690 13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.322 -2.466 14.484 1.00 0.00 H new ATOM 375 N LYS A 24 0.759 -4.800 15.889 1.00 0.00 N ATOM 376 CA LYS A 24 2.039 -4.458 16.532 1.00 0.00 C ATOM 377 C LYS A 24 2.959 -3.808 15.494 1.00 0.00 C ATOM 378 O LYS A 24 2.806 -4.070 14.296 1.00 0.00 O ATOM 379 CB LYS A 24 2.748 -5.712 17.126 1.00 0.00 C ATOM 380 CG LYS A 24 2.192 -6.298 18.448 1.00 0.00 C ATOM 381 CD LYS A 24 0.706 -6.771 18.422 1.00 0.00 C ATOM 382 CE LYS A 24 -0.289 -5.705 18.926 1.00 0.00 C ATOM 383 NZ LYS A 24 0.049 -5.244 20.306 1.00 0.00 N ATOM 0 H LYS A 24 0.657 -5.793 15.679 1.00 0.00 H new ATOM 0 HA LYS A 24 1.830 -3.772 17.353 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.721 -6.500 16.373 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.796 -5.460 17.286 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.816 -7.144 18.736 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.298 -5.544 19.228 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.440 -7.051 17.403 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.608 -7.667 19.035 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.285 -4.853 18.246 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.299 -6.116 18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.817 -4.931 20.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.479 -6.027 20.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.721 -4.452 20.253 1.00 0.00 H new ATOM 397 N GLU A 25 3.934 -3.005 15.976 1.00 0.00 N ATOM 398 CA GLU A 25 4.888 -2.269 15.110 1.00 0.00 C ATOM 399 C GLU A 25 5.667 -3.183 14.147 1.00 0.00 C ATOM 400 O GLU A 25 6.133 -2.740 13.090 1.00 0.00 O ATOM 401 CB GLU A 25 5.855 -1.422 15.960 1.00 0.00 C ATOM 402 CG GLU A 25 6.707 -2.198 16.972 1.00 0.00 C ATOM 403 CD GLU A 25 7.639 -1.279 17.787 1.00 0.00 C ATOM 404 OE1 GLU A 25 7.161 -0.639 18.749 1.00 0.00 O ATOM 405 OE2 GLU A 25 8.846 -1.179 17.458 1.00 0.00 O ATOM 0 H GLU A 25 4.083 -2.848 16.973 1.00 0.00 H new ATOM 0 HA GLU A 25 4.287 -1.607 14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.523 -0.883 15.288 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.275 -0.674 16.500 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.052 -2.741 17.653 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.305 -2.941 16.444 1.00 0.00 H new ATOM 412 N ASP A 26 5.763 -4.459 14.522 1.00 0.00 N ATOM 413 CA ASP A 26 6.510 -5.477 13.767 1.00 0.00 C ATOM 414 C ASP A 26 5.625 -6.648 13.302 1.00 0.00 C ATOM 415 O ASP A 26 6.155 -7.675 12.854 1.00 0.00 O ATOM 416 CB ASP A 26 7.664 -5.999 14.652 1.00 0.00 C ATOM 417 CG ASP A 26 7.167 -6.576 16.000 1.00 0.00 C ATOM 418 OD1 ASP A 26 6.859 -5.778 16.918 1.00 0.00 O ATOM 419 OD2 ASP A 26 7.076 -7.815 16.145 1.00 0.00 O ATOM 0 H ASP A 26 5.321 -4.823 15.366 1.00 0.00 H new ATOM 0 HA ASP A 26 6.897 -5.008 12.862 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.212 -6.771 14.111 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.365 -5.187 14.845 1.00 0.00 H new ATOM 424 N GLU A 27 4.286 -6.513 13.397 1.00 0.00 N ATOM 425 CA GLU A 27 3.361 -7.541 12.874 1.00 0.00 C ATOM 426 C GLU A 27 3.335 -7.471 11.351 1.00 0.00 C ATOM 427 O GLU A 27 3.425 -8.485 10.651 1.00 0.00 O ATOM 428 CB GLU A 27 1.912 -7.371 13.453 1.00 0.00 C ATOM 429 CG GLU A 27 1.638 -8.129 14.767 1.00 0.00 C ATOM 430 CD GLU A 27 1.606 -9.654 14.594 1.00 0.00 C ATOM 431 OE1 GLU A 27 2.662 -10.312 14.719 1.00 0.00 O ATOM 432 OE2 GLU A 27 0.519 -10.202 14.333 1.00 0.00 O ATOM 0 H GLU A 27 3.824 -5.711 13.826 1.00 0.00 H new ATOM 0 HA GLU A 27 3.723 -8.519 13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.726 -6.310 13.619 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.196 -7.706 12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.406 -7.869 15.495 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.684 -7.797 15.178 1.00 0.00 H new ATOM 439 N LEU A 28 3.185 -6.246 10.857 1.00 0.00 N ATOM 440 CA LEU A 28 3.234 -5.942 9.433 1.00 0.00 C ATOM 441 C LEU A 28 4.705 -5.849 8.997 1.00 0.00 C ATOM 442 O LEU A 28 5.482 -5.060 9.539 1.00 0.00 O ATOM 443 CB LEU A 28 2.433 -4.647 9.113 1.00 0.00 C ATOM 444 CG LEU A 28 0.869 -4.787 9.069 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.420 -5.705 7.923 1.00 0.00 C ATOM 446 CD2 LEU A 28 0.277 -5.267 10.415 1.00 0.00 C ATOM 0 H LEU A 28 3.024 -5.427 11.443 1.00 0.00 H new ATOM 0 HA LEU A 28 2.757 -6.740 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.688 -3.894 9.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.769 -4.267 8.149 1.00 0.00 H new ATOM 0 HG LEU A 28 0.478 -3.787 8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.667 -5.780 7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.757 -5.291 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.852 -6.696 8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.807 -5.346 10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.693 -6.242 10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.527 -4.551 11.198 1.00 0.00 H new ATOM 458 N ASP A 29 5.069 -6.720 8.069 1.00 0.00 N ATOM 459 CA ASP A 29 6.412 -6.817 7.475 1.00 0.00 C ATOM 460 C ASP A 29 6.312 -6.494 5.973 1.00 0.00 C ATOM 461 O ASP A 29 5.209 -6.474 5.408 1.00 0.00 O ATOM 462 CB ASP A 29 6.978 -8.255 7.685 1.00 0.00 C ATOM 463 CG ASP A 29 8.465 -8.395 7.298 1.00 0.00 C ATOM 464 OD1 ASP A 29 9.333 -8.041 8.123 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.777 -8.851 6.163 1.00 0.00 O ATOM 0 H ASP A 29 4.420 -7.409 7.688 1.00 0.00 H new ATOM 0 HA ASP A 29 7.086 -6.108 7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.855 -8.536 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.390 -8.958 7.095 1.00 0.00 H new ATOM 470 N ASP A 30 7.469 -6.305 5.337 1.00 0.00 N ATOM 471 CA ASP A 30 7.583 -5.936 3.906 1.00 0.00 C ATOM 472 C ASP A 30 7.120 -7.081 2.986 1.00 0.00 C ATOM 473 O ASP A 30 6.790 -6.862 1.815 1.00 0.00 O ATOM 474 CB ASP A 30 9.048 -5.546 3.600 1.00 0.00 C ATOM 475 CG ASP A 30 9.557 -4.375 4.463 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.741 -4.567 5.689 1.00 0.00 O ATOM 477 OD2 ASP A 30 9.814 -3.276 3.923 1.00 0.00 O ATOM 0 H ASP A 30 8.373 -6.403 5.799 1.00 0.00 H new ATOM 0 HA ASP A 30 6.929 -5.086 3.711 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.689 -6.413 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.133 -5.277 2.547 1.00 0.00 H new ATOM 482 N GLN A 31 7.082 -8.297 3.542 1.00 0.00 N ATOM 483 CA GLN A 31 6.715 -9.520 2.814 1.00 0.00 C ATOM 484 C GLN A 31 5.389 -10.090 3.344 1.00 0.00 C ATOM 485 O GLN A 31 4.961 -11.164 2.900 1.00 0.00 O ATOM 486 CB GLN A 31 7.856 -10.561 2.965 1.00 0.00 C ATOM 487 CG GLN A 31 9.251 -10.037 2.576 1.00 0.00 C ATOM 488 CD GLN A 31 10.383 -11.006 2.906 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.787 -11.819 2.083 1.00 0.00 O ATOM 490 NE2 GLN A 31 10.879 -10.937 4.129 1.00 0.00 N ATOM 0 H GLN A 31 7.308 -8.463 4.523 1.00 0.00 H new ATOM 0 HA GLN A 31 6.577 -9.284 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.885 -10.903 4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.623 -11.430 2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.265 -9.826 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.431 -9.093 3.090 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.518 -10.247 4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.623 -11.574 4.414 1.00 0.00 H new ATOM 499 N THR A 32 4.751 -9.382 4.313 1.00 0.00 N ATOM 500 CA THR A 32 3.474 -9.799 4.899 1.00 0.00 C ATOM 501 C THR A 32 2.363 -9.822 3.825 1.00 0.00 C ATOM 502 O THR A 32 2.094 -8.791 3.194 1.00 0.00 O ATOM 503 CB THR A 32 3.051 -8.882 6.090 1.00 0.00 C ATOM 504 OG1 THR A 32 3.851 -9.176 7.241 1.00 0.00 O ATOM 505 CG2 THR A 32 1.565 -8.999 6.469 1.00 0.00 C ATOM 0 H THR A 32 5.115 -8.512 4.700 1.00 0.00 H new ATOM 0 HA THR A 32 3.613 -10.807 5.290 1.00 0.00 H new ATOM 0 HB THR A 32 3.212 -7.859 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.333 -8.998 8.054 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.349 -8.332 7.304 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.949 -8.722 5.614 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.343 -10.026 6.758 1.00 0.00 H new ATOM 513 N PRO A 33 1.701 -10.999 3.616 1.00 0.00 N ATOM 514 CA PRO A 33 0.603 -11.126 2.654 1.00 0.00 C ATOM 515 C PRO A 33 -0.677 -10.427 3.173 1.00 0.00 C ATOM 516 O PRO A 33 -1.486 -11.016 3.887 1.00 0.00 O ATOM 517 CB PRO A 33 0.435 -12.655 2.518 1.00 0.00 C ATOM 518 CG PRO A 33 0.894 -13.218 3.836 1.00 0.00 C ATOM 519 CD PRO A 33 1.979 -12.285 4.325 1.00 0.00 C ATOM 0 HA PRO A 33 0.801 -10.647 1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.602 -12.921 2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.031 -13.045 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.070 -13.268 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.275 -14.232 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.939 -12.160 5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.971 -12.667 4.084 1.00 0.00 H new ATOM 527 N LEU A 34 -0.818 -9.154 2.795 1.00 0.00 N ATOM 528 CA LEU A 34 -1.846 -8.239 3.311 1.00 0.00 C ATOM 529 C LEU A 34 -3.278 -8.749 3.004 1.00 0.00 C ATOM 530 O LEU A 34 -4.180 -8.656 3.846 1.00 0.00 O ATOM 531 CB LEU A 34 -1.605 -6.840 2.685 1.00 0.00 C ATOM 532 CG LEU A 34 -0.163 -6.251 2.855 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.013 -4.947 2.064 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.202 -6.052 4.337 1.00 0.00 C ATOM 0 H LEU A 34 -0.207 -8.718 2.105 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.768 -8.182 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.830 -6.897 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.316 -6.140 3.124 1.00 0.00 H new ATOM 0 HG LEU A 34 0.529 -6.985 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.025 -4.569 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.157 -5.138 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.704 -4.207 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.209 -5.642 4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.506 -5.362 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.161 -7.011 4.854 1.00 0.00 H new ATOM 546 N LEU A 35 -3.463 -9.308 1.792 1.00 0.00 N ATOM 547 CA LEU A 35 -4.764 -9.872 1.363 1.00 0.00 C ATOM 548 C LEU A 35 -5.056 -11.224 2.038 1.00 0.00 C ATOM 549 O LEU A 35 -6.219 -11.577 2.238 1.00 0.00 O ATOM 550 CB LEU A 35 -4.804 -10.038 -0.169 1.00 0.00 C ATOM 551 CG LEU A 35 -4.607 -8.739 -0.995 1.00 0.00 C ATOM 552 CD1 LEU A 35 -4.685 -9.029 -2.495 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.599 -7.633 -0.592 1.00 0.00 C ATOM 0 H LEU A 35 -2.728 -9.382 1.089 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.536 -9.167 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.032 -10.751 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.763 -10.478 -0.443 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.609 -8.365 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.544 -8.103 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.906 -9.740 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.661 -9.451 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.420 -6.745 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.619 -7.983 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.461 -7.387 0.461 1.00 0.00 H new ATOM 565 N GLU A 36 -3.991 -11.973 2.368 1.00 0.00 N ATOM 566 CA GLU A 36 -4.107 -13.262 3.085 1.00 0.00 C ATOM 567 C GLU A 36 -4.597 -13.004 4.520 1.00 0.00 C ATOM 568 O GLU A 36 -5.406 -13.757 5.064 1.00 0.00 O ATOM 569 CB GLU A 36 -2.739 -13.982 3.082 1.00 0.00 C ATOM 570 CG GLU A 36 -2.718 -15.410 3.655 1.00 0.00 C ATOM 571 CD GLU A 36 -3.500 -16.410 2.794 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.947 -16.911 1.789 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.678 -16.697 3.111 1.00 0.00 O ATOM 0 H GLU A 36 -3.031 -11.708 2.149 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.831 -13.905 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.375 -14.020 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.032 -13.376 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.685 -15.745 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.137 -15.399 4.661 1.00 0.00 H new ATOM 580 N TRP A 37 -4.115 -11.888 5.101 1.00 0.00 N ATOM 581 CA TRP A 37 -4.569 -11.406 6.424 1.00 0.00 C ATOM 582 C TRP A 37 -6.021 -10.878 6.371 1.00 0.00 C ATOM 583 O TRP A 37 -6.699 -10.825 7.405 1.00 0.00 O ATOM 584 CB TRP A 37 -3.618 -10.294 6.954 1.00 0.00 C ATOM 585 CG TRP A 37 -2.263 -10.786 7.417 1.00 0.00 C ATOM 586 CD1 TRP A 37 -1.491 -11.760 6.844 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.521 -10.315 8.557 1.00 0.00 C ATOM 588 NE1 TRP A 37 -0.332 -11.921 7.547 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.325 -11.055 8.607 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.758 -9.336 9.535 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.633 -10.848 9.596 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.806 -9.136 10.521 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.378 -9.888 10.542 1.00 0.00 C ATOM 0 H TRP A 37 -3.404 -11.297 4.671 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.544 -12.255 7.107 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.471 -9.555 6.166 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.106 -9.783 7.784 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.760 -12.321 5.961 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.411 -12.582 7.319 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.665 -8.750 9.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.546 -11.424 9.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.978 -8.391 11.284 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.105 -9.707 11.320 1.00 0.00 H new ATOM 604 N GLY A 38 -6.482 -10.490 5.163 1.00 0.00 N ATOM 605 CA GLY A 38 -7.850 -9.988 4.968 1.00 0.00 C ATOM 606 C GLY A 38 -8.071 -8.615 5.585 1.00 0.00 C ATOM 607 O GLY A 38 -9.207 -8.226 5.871 1.00 0.00 O ATOM 0 H GLY A 38 -5.923 -10.517 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.065 -9.940 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.556 -10.695 5.404 1.00 0.00 H new ATOM 611 N ILE A 39 -6.967 -7.884 5.786 1.00 0.00 N ATOM 612 CA ILE A 39 -6.975 -6.533 6.370 1.00 0.00 C ATOM 613 C ILE A 39 -7.277 -5.472 5.287 1.00 0.00 C ATOM 614 O ILE A 39 -7.588 -4.319 5.608 1.00 0.00 O ATOM 615 CB ILE A 39 -5.603 -6.235 7.087 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.410 -6.362 6.080 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.418 -7.168 8.316 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.024 -6.242 6.688 1.00 0.00 C ATOM 0 H ILE A 39 -6.033 -8.216 5.546 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.767 -6.484 7.118 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.615 -5.207 7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.484 -7.326 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.520 -5.593 5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.466 -6.949 8.799 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.230 -7.003 9.024 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.428 -8.208 7.988 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.273 -6.344 5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.919 -5.268 7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.883 -7.027 7.431 1.00 0.00 H new ATOM 630 N LEU A 40 -7.160 -5.877 3.996 1.00 0.00 N ATOM 631 CA LEU A 40 -7.446 -5.001 2.840 1.00 0.00 C ATOM 632 C LEU A 40 -8.704 -5.483 2.090 1.00 0.00 C ATOM 633 O LEU A 40 -8.720 -6.584 1.539 1.00 0.00 O ATOM 634 CB LEU A 40 -6.244 -4.947 1.845 1.00 0.00 C ATOM 635 CG LEU A 40 -4.847 -4.545 2.415 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.823 -4.352 1.274 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.930 -3.300 3.319 1.00 0.00 C ATOM 0 H LEU A 40 -6.866 -6.817 3.732 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.616 -3.999 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.147 -5.929 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.497 -4.244 1.051 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.500 -5.366 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.857 -4.072 1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.720 -5.283 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.169 -3.564 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.936 -3.056 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.318 -2.459 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.594 -3.504 4.159 1.00 0.00 H new ATOM 649 N ASN A 41 -9.761 -4.651 2.094 1.00 0.00 N ATOM 650 CA ASN A 41 -10.953 -4.835 1.236 1.00 0.00 C ATOM 651 C ASN A 41 -11.178 -3.567 0.391 1.00 0.00 C ATOM 652 O ASN A 41 -10.443 -2.582 0.547 1.00 0.00 O ATOM 653 CB ASN A 41 -12.202 -5.219 2.091 1.00 0.00 C ATOM 654 CG ASN A 41 -12.654 -4.182 3.128 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.576 -2.975 2.911 1.00 0.00 O ATOM 656 ND2 ASN A 41 -13.134 -4.649 4.276 1.00 0.00 N ATOM 0 H ASN A 41 -9.816 -3.828 2.694 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.786 -5.666 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.034 -5.413 1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.988 -6.153 2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.447 -4.001 4.999 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.189 -5.655 4.434 1.00 0.00 H new ATOM 663 N SER A 42 -12.192 -3.596 -0.496 1.00 0.00 N ATOM 664 CA SER A 42 -12.422 -2.505 -1.459 1.00 0.00 C ATOM 665 C SER A 42 -12.923 -1.204 -0.781 1.00 0.00 C ATOM 666 O SER A 42 -12.847 -0.117 -1.378 1.00 0.00 O ATOM 667 CB SER A 42 -13.404 -2.950 -2.550 1.00 0.00 C ATOM 668 OG SER A 42 -13.285 -2.106 -3.690 1.00 0.00 O ATOM 0 H SER A 42 -12.862 -4.362 -0.564 1.00 0.00 H new ATOM 0 HA SER A 42 -11.458 -2.276 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.203 -3.984 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.424 -2.916 -2.168 1.00 0.00 H new ATOM 673 N MET A 43 -13.430 -1.325 0.464 1.00 0.00 N ATOM 674 CA MET A 43 -13.876 -0.164 1.258 1.00 0.00 C ATOM 675 C MET A 43 -12.653 0.634 1.736 1.00 0.00 C ATOM 676 O MET A 43 -12.550 1.830 1.484 1.00 0.00 O ATOM 677 CB MET A 43 -14.752 -0.607 2.470 1.00 0.00 C ATOM 678 CG MET A 43 -15.997 -1.421 2.080 1.00 0.00 C ATOM 679 SD MET A 43 -17.051 -0.565 0.883 1.00 0.00 S ATOM 680 CE MET A 43 -17.493 0.953 1.741 1.00 0.00 C ATOM 0 H MET A 43 -13.540 -2.220 0.941 1.00 0.00 H new ATOM 0 HA MET A 43 -14.494 0.472 0.624 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.140 -1.201 3.149 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.068 0.280 3.019 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.683 -2.377 1.662 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.577 -1.640 2.976 1.00 0.00 H new ATOM 0 HE1 MET A 43 -18.248 1.490 1.166 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.892 0.711 2.726 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.608 1.579 1.852 1.00 0.00 H new ATOM 690 N ASN A 44 -11.706 -0.062 2.399 1.00 0.00 N ATOM 691 CA ASN A 44 -10.511 0.576 2.992 1.00 0.00 C ATOM 692 C ASN A 44 -9.367 0.768 1.970 1.00 0.00 C ATOM 693 O ASN A 44 -8.357 1.397 2.302 1.00 0.00 O ATOM 694 CB ASN A 44 -9.999 -0.176 4.250 1.00 0.00 C ATOM 695 CG ASN A 44 -9.454 -1.582 3.970 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.127 -2.572 4.189 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.238 -1.667 3.448 1.00 0.00 N ATOM 0 H ASN A 44 -11.746 -1.072 2.538 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.838 1.567 3.307 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.214 0.418 4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.814 -0.252 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.844 -2.580 3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.697 -0.820 3.275 1.00 0.00 H new ATOM 704 N ILE A 45 -9.474 0.164 0.763 1.00 0.00 N ATOM 705 CA ILE A 45 -8.419 0.293 -0.272 1.00 0.00 C ATOM 706 C ILE A 45 -8.257 1.771 -0.717 1.00 0.00 C ATOM 707 O ILE A 45 -7.147 2.209 -1.033 1.00 0.00 O ATOM 708 CB ILE A 45 -8.675 -0.634 -1.532 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.355 -0.855 -2.337 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.784 -0.077 -2.464 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.251 -1.564 -1.568 1.00 0.00 C ATOM 0 H ILE A 45 -10.269 -0.410 0.483 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.492 -0.045 0.191 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.024 -1.593 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.584 -1.433 -3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.982 0.114 -2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.919 -0.750 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.719 0.002 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.493 0.909 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.375 -1.673 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.987 -0.979 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.599 -2.549 -1.258 1.00 0.00 H new ATOM 723 N VAL A 46 -9.381 2.526 -0.700 1.00 0.00 N ATOM 724 CA VAL A 46 -9.390 3.953 -1.062 1.00 0.00 C ATOM 725 C VAL A 46 -8.664 4.783 0.011 1.00 0.00 C ATOM 726 O VAL A 46 -8.027 5.786 -0.313 1.00 0.00 O ATOM 727 CB VAL A 46 -10.850 4.501 -1.305 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.558 3.698 -2.427 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.697 4.526 -0.004 1.00 0.00 C ATOM 0 H VAL A 46 -10.297 2.162 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.855 4.052 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.756 5.536 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.563 4.092 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.990 3.788 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.620 2.648 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.692 4.911 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.779 3.515 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.215 5.169 0.732 1.00 0.00 H new ATOM 739 N LYS A 47 -8.738 4.321 1.281 1.00 0.00 N ATOM 740 CA LYS A 47 -8.034 4.945 2.418 1.00 0.00 C ATOM 741 C LYS A 47 -6.515 4.905 2.164 1.00 0.00 C ATOM 742 O LYS A 47 -5.797 5.869 2.447 1.00 0.00 O ATOM 743 CB LYS A 47 -8.381 4.209 3.747 1.00 0.00 C ATOM 744 CG LYS A 47 -9.895 4.041 4.027 1.00 0.00 C ATOM 745 CD LYS A 47 -10.630 5.375 4.307 1.00 0.00 C ATOM 746 CE LYS A 47 -10.184 6.036 5.627 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.962 7.253 5.960 1.00 0.00 N ATOM 0 H LYS A 47 -9.289 3.504 1.543 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.356 5.982 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.919 3.222 3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.932 4.757 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.361 3.553 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.026 3.378 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.450 6.064 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.704 5.193 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.283 5.315 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.127 6.295 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.616 7.651 6.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.848 7.956 5.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.968 7.007 6.056 1.00 0.00 H new ATOM 761 N LEU A 48 -6.043 3.773 1.598 1.00 0.00 N ATOM 762 CA LEU A 48 -4.654 3.627 1.170 1.00 0.00 C ATOM 763 C LEU A 48 -4.370 4.515 -0.053 1.00 0.00 C ATOM 764 O LEU A 48 -3.415 5.265 -0.040 1.00 0.00 O ATOM 765 CB LEU A 48 -4.308 2.138 0.869 1.00 0.00 C ATOM 766 CG LEU A 48 -4.239 1.191 2.106 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.820 -0.237 1.697 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.304 1.757 3.203 1.00 0.00 C ATOM 0 H LEU A 48 -6.617 2.947 1.430 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.013 3.955 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.052 1.745 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.347 2.105 0.356 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.242 1.134 2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.781 -0.872 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.546 -0.641 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.836 -0.207 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.280 1.071 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.298 1.871 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.675 2.727 3.532 1.00 0.00 H new ATOM 780 N MET A 49 -5.222 4.470 -1.088 1.00 0.00 N ATOM 781 CA MET A 49 -4.947 5.183 -2.361 1.00 0.00 C ATOM 782 C MET A 49 -4.876 6.726 -2.185 1.00 0.00 C ATOM 783 O MET A 49 -4.185 7.402 -2.956 1.00 0.00 O ATOM 784 CB MET A 49 -5.972 4.796 -3.456 1.00 0.00 C ATOM 785 CG MET A 49 -5.868 3.333 -3.922 1.00 0.00 C ATOM 786 SD MET A 49 -6.764 3.021 -5.452 1.00 0.00 S ATOM 787 CE MET A 49 -8.478 3.108 -4.949 1.00 0.00 C ATOM 0 H MET A 49 -6.102 3.954 -1.077 1.00 0.00 H new ATOM 0 HA MET A 49 -3.958 4.859 -2.686 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.978 4.975 -3.077 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.834 5.451 -4.316 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.818 3.075 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.255 2.679 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.084 2.495 -5.616 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.577 2.740 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.819 4.142 -4.997 1.00 0.00 H new ATOM 797 N VAL A 50 -5.575 7.267 -1.159 1.00 0.00 N ATOM 798 CA VAL A 50 -5.497 8.706 -0.798 1.00 0.00 C ATOM 799 C VAL A 50 -4.238 8.987 0.064 1.00 0.00 C ATOM 800 O VAL A 50 -3.721 10.113 0.083 1.00 0.00 O ATOM 801 CB VAL A 50 -6.797 9.213 -0.050 1.00 0.00 C ATOM 802 CG1 VAL A 50 -8.073 8.912 -0.878 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.915 8.631 1.382 1.00 0.00 C ATOM 0 H VAL A 50 -6.203 6.727 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.423 9.262 -1.732 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.702 10.294 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.950 9.271 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.008 9.416 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.159 7.837 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.822 9.008 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.958 7.543 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.048 8.932 1.970 1.00 0.00 H new ATOM 813 N TYR A 51 -3.769 7.948 0.782 1.00 0.00 N ATOM 814 CA TYR A 51 -2.550 8.002 1.605 1.00 0.00 C ATOM 815 C TYR A 51 -1.286 8.064 0.720 1.00 0.00 C ATOM 816 O TYR A 51 -0.421 8.897 0.950 1.00 0.00 O ATOM 817 CB TYR A 51 -2.505 6.783 2.553 1.00 0.00 C ATOM 818 CG TYR A 51 -1.255 6.717 3.438 1.00 0.00 C ATOM 819 CD1 TYR A 51 -1.152 7.507 4.583 1.00 0.00 C ATOM 820 CD2 TYR A 51 -0.184 5.877 3.120 1.00 0.00 C ATOM 821 CE1 TYR A 51 -0.030 7.464 5.381 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.935 5.832 3.913 1.00 0.00 C ATOM 823 CZ TYR A 51 1.008 6.627 5.047 1.00 0.00 C ATOM 824 OH TYR A 51 2.135 6.605 5.835 1.00 0.00 O ATOM 0 H TYR A 51 -4.232 7.040 0.806 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.572 8.911 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.388 6.802 3.192 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.562 5.872 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.967 8.164 4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.238 5.255 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.034 8.084 6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.756 5.180 3.655 1.00 0.00 H new ATOM 0 HH TYR A 51 2.711 7.363 5.603 1.00 0.00 H new ATOM 834 N ILE A 52 -1.191 7.162 -0.283 1.00 0.00 N ATOM 835 CA ILE A 52 -0.075 7.155 -1.260 1.00 0.00 C ATOM 836 C ILE A 52 -0.125 8.455 -2.119 1.00 0.00 C ATOM 837 O ILE A 52 0.913 8.993 -2.508 1.00 0.00 O ATOM 838 CB ILE A 52 -0.071 5.853 -2.189 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.258 4.531 -1.397 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.937 5.978 -3.368 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.759 4.047 -0.387 1.00 0.00 C ATOM 0 H ILE A 52 -1.878 6.424 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 52 0.857 7.126 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.088 5.787 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.415 3.734 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.204 4.678 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.905 5.071 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.669 6.835 -3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.944 6.116 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.400 3.130 0.080 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.904 4.810 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.706 3.852 -0.890 1.00 0.00 H new ATOM 853 N ARG A 53 -1.357 8.959 -2.368 1.00 0.00 N ATOM 854 CA ARG A 53 -1.589 10.220 -3.113 1.00 0.00 C ATOM 855 C ARG A 53 -1.009 11.438 -2.363 1.00 0.00 C ATOM 856 O ARG A 53 -0.581 12.416 -2.987 1.00 0.00 O ATOM 857 CB ARG A 53 -3.108 10.416 -3.378 1.00 0.00 C ATOM 858 CG ARG A 53 -3.445 11.595 -4.308 1.00 0.00 C ATOM 859 CD ARG A 53 -4.955 11.783 -4.510 1.00 0.00 C ATOM 860 NE ARG A 53 -5.238 12.889 -5.450 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.445 13.434 -5.679 1.00 0.00 C ATOM 862 NH1 ARG A 53 -7.522 13.003 -5.044 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.561 14.423 -6.546 1.00 0.00 N ATOM 0 H ARG A 53 -2.216 8.504 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.069 10.144 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.510 9.500 -3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.614 10.565 -2.424 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.022 12.510 -3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.971 11.434 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.391 10.859 -4.890 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.430 11.988 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.448 13.272 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.445 12.244 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.429 13.429 -5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.737 14.769 -7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.474 14.841 -6.724 1.00 0.00 H new ATOM 877 N ASP A 54 -1.004 11.370 -1.022 1.00 0.00 N ATOM 878 CA ASP A 54 -0.436 12.432 -0.171 1.00 0.00 C ATOM 879 C ASP A 54 1.087 12.234 0.018 1.00 0.00 C ATOM 880 O ASP A 54 1.883 13.101 -0.347 1.00 0.00 O ATOM 881 CB ASP A 54 -1.160 12.446 1.202 1.00 0.00 C ATOM 882 CG ASP A 54 -0.570 13.471 2.191 1.00 0.00 C ATOM 883 OD1 ASP A 54 -0.722 14.688 1.955 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.034 13.070 3.214 1.00 0.00 O ATOM 0 H ASP A 54 -1.390 10.584 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.588 13.393 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.216 12.668 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.105 11.451 1.644 1.00 0.00 H new ATOM 889 N GLU A 55 1.454 11.073 0.574 1.00 0.00 N ATOM 890 CA GLU A 55 2.838 10.721 0.968 1.00 0.00 C ATOM 891 C GLU A 55 3.781 10.607 -0.250 1.00 0.00 C ATOM 892 O GLU A 55 4.798 11.299 -0.324 1.00 0.00 O ATOM 893 CB GLU A 55 2.812 9.385 1.756 1.00 0.00 C ATOM 894 CG GLU A 55 2.077 9.446 3.111 1.00 0.00 C ATOM 895 CD GLU A 55 2.973 9.928 4.267 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.642 9.076 4.904 1.00 0.00 O ATOM 897 OE2 GLU A 55 3.036 11.147 4.528 1.00 0.00 O ATOM 0 H GLU A 55 0.785 10.328 0.770 1.00 0.00 H new ATOM 0 HA GLU A 55 3.229 11.522 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.339 8.623 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.838 9.062 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.220 10.113 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.687 8.457 3.350 1.00 0.00 H new ATOM 904 N MET A 56 3.436 9.706 -1.188 1.00 0.00 N ATOM 905 CA MET A 56 4.251 9.443 -2.400 1.00 0.00 C ATOM 906 C MET A 56 3.912 10.420 -3.543 1.00 0.00 C ATOM 907 O MET A 56 4.740 10.630 -4.440 1.00 0.00 O ATOM 908 CB MET A 56 4.061 7.967 -2.875 1.00 0.00 C ATOM 909 CG MET A 56 4.928 6.919 -2.137 1.00 0.00 C ATOM 910 SD MET A 56 3.988 5.531 -1.471 1.00 0.00 S ATOM 911 CE MET A 56 3.386 6.211 0.070 1.00 0.00 C ATOM 0 H MET A 56 2.590 9.140 -1.133 1.00 0.00 H new ATOM 0 HA MET A 56 5.296 9.600 -2.132 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.012 7.696 -2.755 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.284 7.914 -3.941 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.683 6.537 -2.824 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.459 7.410 -1.322 1.00 0.00 H new ATOM 0 HE1 MET A 56 2.689 5.510 0.529 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.225 6.383 0.744 1.00 0.00 H new ATOM 0 HE3 MET A 56 2.877 7.155 -0.123 1.00 0.00 H new ATOM 921 N GLY A 57 2.692 10.993 -3.515 1.00 0.00 N ATOM 922 CA GLY A 57 2.182 11.821 -4.614 1.00 0.00 C ATOM 923 C GLY A 57 1.744 10.993 -5.817 1.00 0.00 C ATOM 924 O GLY A 57 1.781 11.467 -6.958 1.00 0.00 O ATOM 0 H GLY A 57 2.042 10.893 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.338 12.412 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.955 12.524 -4.924 1.00 0.00 H new ATOM 928 N VAL A 58 1.307 9.749 -5.552 1.00 0.00 N ATOM 929 CA VAL A 58 0.930 8.768 -6.591 1.00 0.00 C ATOM 930 C VAL A 58 -0.499 8.271 -6.337 1.00 0.00 C ATOM 931 O VAL A 58 -0.835 7.875 -5.220 1.00 0.00 O ATOM 932 CB VAL A 58 1.924 7.541 -6.593 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.481 6.421 -7.576 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.376 7.992 -6.885 1.00 0.00 C ATOM 0 H VAL A 58 1.204 9.391 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 58 0.983 9.258 -7.563 1.00 0.00 H new ATOM 0 HB VAL A 58 1.895 7.115 -5.590 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.198 5.601 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.495 6.055 -7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.439 6.821 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.035 7.124 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.418 8.473 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.699 8.697 -6.119 1.00 0.00 H new ATOM 944 N SER A 59 -1.338 8.291 -7.375 1.00 0.00 N ATOM 945 CA SER A 59 -2.707 7.753 -7.312 1.00 0.00 C ATOM 946 C SER A 59 -2.739 6.386 -8.005 1.00 0.00 C ATOM 947 O SER A 59 -2.289 6.251 -9.153 1.00 0.00 O ATOM 948 CB SER A 59 -3.707 8.727 -7.980 1.00 0.00 C ATOM 949 OG SER A 59 -5.051 8.257 -7.881 1.00 0.00 O ATOM 0 H SER A 59 -1.091 8.680 -8.285 1.00 0.00 H new ATOM 0 HA SER A 59 -3.003 7.637 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.629 9.707 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.443 8.855 -9.030 1.00 0.00 H new ATOM 0 HG SER A 59 -5.654 8.898 -8.312 1.00 0.00 H new ATOM 955 N ILE A 60 -3.253 5.366 -7.300 1.00 0.00 N ATOM 956 CA ILE A 60 -3.455 4.027 -7.860 1.00 0.00 C ATOM 957 C ILE A 60 -4.818 4.015 -8.599 1.00 0.00 C ATOM 958 O ILE A 60 -5.824 4.470 -8.034 1.00 0.00 O ATOM 959 CB ILE A 60 -3.423 2.882 -6.758 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.023 2.779 -6.042 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.837 1.511 -7.356 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.712 3.882 -5.044 1.00 0.00 C ATOM 0 H ILE A 60 -3.540 5.450 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.632 3.815 -8.543 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.154 3.160 -5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.969 1.821 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.245 2.774 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.805 0.750 -6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.849 1.579 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.148 1.240 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.726 3.714 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.726 4.846 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.461 3.878 -4.252 1.00 0.00 H new ATOM 974 N PRO A 61 -4.871 3.554 -9.887 1.00 0.00 N ATOM 975 CA PRO A 61 -6.158 3.342 -10.593 1.00 0.00 C ATOM 976 C PRO A 61 -6.921 2.102 -10.063 1.00 0.00 C ATOM 977 O PRO A 61 -6.307 1.114 -9.633 1.00 0.00 O ATOM 978 CB PRO A 61 -5.723 3.166 -12.068 1.00 0.00 C ATOM 979 CG PRO A 61 -4.333 2.614 -11.983 1.00 0.00 C ATOM 980 CD PRO A 61 -3.707 3.263 -10.768 1.00 0.00 C ATOM 0 HA PRO A 61 -6.858 4.165 -10.449 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.389 2.486 -12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.742 4.115 -12.604 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.348 1.529 -11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.765 2.843 -12.885 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.993 2.598 -10.282 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.167 4.172 -11.033 1.00 0.00 H new ATOM 988 N SER A 62 -8.263 2.161 -10.146 1.00 0.00 N ATOM 989 CA SER A 62 -9.167 1.120 -9.627 1.00 0.00 C ATOM 990 C SER A 62 -9.075 -0.190 -10.450 1.00 0.00 C ATOM 991 O SER A 62 -9.474 -1.258 -9.972 1.00 0.00 O ATOM 992 CB SER A 62 -10.621 1.669 -9.549 1.00 0.00 C ATOM 993 OG SER A 62 -10.986 2.357 -10.733 1.00 0.00 O ATOM 0 H SER A 62 -8.755 2.942 -10.580 1.00 0.00 H new ATOM 0 HA SER A 62 -8.850 0.860 -8.617 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.313 0.844 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.711 2.341 -8.695 1.00 0.00 H new ATOM 0 HG SER A 62 -11.905 2.686 -10.650 1.00 0.00 H new ATOM 999 N THR A 63 -8.516 -0.090 -11.674 1.00 0.00 N ATOM 1000 CA THR A 63 -8.236 -1.257 -12.533 1.00 0.00 C ATOM 1001 C THR A 63 -7.015 -2.060 -12.007 1.00 0.00 C ATOM 1002 O THR A 63 -6.903 -3.269 -12.252 1.00 0.00 O ATOM 1003 CB THR A 63 -8.007 -0.811 -14.024 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.846 -1.957 -14.877 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.787 0.115 -14.183 1.00 0.00 C ATOM 0 H THR A 63 -8.247 0.800 -12.093 1.00 0.00 H new ATOM 0 HA THR A 63 -9.107 -1.911 -12.501 1.00 0.00 H new ATOM 0 HB THR A 63 -8.894 -0.250 -14.318 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.706 -1.660 -15.800 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.675 0.393 -15.231 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.932 1.014 -13.583 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.890 -0.405 -13.847 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.104 -1.372 -11.287 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.907 -1.994 -10.664 1.00 0.00 C ATOM 1015 C HIS A 64 -5.212 -2.513 -9.248 1.00 0.00 C ATOM 1016 O HIS A 64 -4.319 -3.076 -8.595 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.707 -0.995 -10.648 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.785 -1.099 -11.840 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -3.211 -1.468 -13.105 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.439 -0.928 -11.943 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -2.172 -1.515 -13.921 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -1.098 -1.192 -13.241 1.00 0.00 N ATOM 0 H HIS A 64 -6.174 -0.368 -11.119 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.627 -2.853 -11.273 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.098 0.021 -10.596 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.126 -1.160 -9.741 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.766 -0.638 -11.149 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.202 -1.775 -14.969 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.153 -1.145 -13.622 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.454 -2.305 -8.758 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.906 -2.915 -7.497 1.00 0.00 C ATOM 1033 C ILE A 65 -7.229 -4.394 -7.771 1.00 0.00 C ATOM 1034 O ILE A 65 -8.344 -4.747 -8.181 1.00 0.00 O ATOM 1035 CB ILE A 65 -8.152 -2.182 -6.854 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.922 -0.642 -6.795 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.445 -2.739 -5.432 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.720 -0.206 -5.994 1.00 0.00 C ATOM 0 H ILE A 65 -7.154 -1.722 -9.216 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.103 -2.818 -6.766 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.018 -2.375 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.817 -0.266 -7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.811 -0.173 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.305 -2.221 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.659 -3.806 -5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.576 -2.581 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.645 0.881 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.827 -0.545 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.818 -0.639 -6.426 1.00 0.00 H new ATOM 1050 N THR A 66 -6.195 -5.226 -7.642 1.00 0.00 N ATOM 1051 CA THR A 66 -6.287 -6.681 -7.761 1.00 0.00 C ATOM 1052 C THR A 66 -5.115 -7.322 -6.993 1.00 0.00 C ATOM 1053 O THR A 66 -4.148 -6.630 -6.609 1.00 0.00 O ATOM 1054 CB THR A 66 -6.351 -7.167 -9.259 1.00 0.00 C ATOM 1055 OG1 THR A 66 -6.405 -8.604 -9.325 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.172 -6.653 -10.094 1.00 0.00 C ATOM 0 H THR A 66 -5.249 -4.899 -7.447 1.00 0.00 H new ATOM 0 HA THR A 66 -7.227 -7.006 -7.316 1.00 0.00 H new ATOM 0 HB THR A 66 -7.263 -6.748 -9.684 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.760 -8.878 -10.196 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.265 -7.017 -11.117 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.174 -5.563 -10.095 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.237 -7.013 -9.664 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.196 -8.647 -6.798 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.338 -9.360 -5.860 1.00 0.00 C ATOM 1066 C GLY A 67 -2.954 -9.717 -6.362 1.00 0.00 C ATOM 1067 O GLY A 67 -2.305 -10.595 -5.793 1.00 0.00 O ATOM 0 H GLY A 67 -5.859 -9.247 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.231 -8.751 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.843 -10.279 -5.564 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.496 -9.062 -7.436 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.097 -9.170 -7.900 1.00 0.00 C ATOM 1073 C LYS A 68 -0.256 -8.144 -7.122 1.00 0.00 C ATOM 1074 O LYS A 68 0.822 -8.440 -6.605 1.00 0.00 O ATOM 1075 CB LYS A 68 -0.958 -8.903 -9.449 1.00 0.00 C ATOM 1076 CG LYS A 68 -2.220 -9.141 -10.311 1.00 0.00 C ATOM 1077 CD LYS A 68 -2.820 -10.553 -10.180 1.00 0.00 C ATOM 1078 CE LYS A 68 -4.087 -10.722 -11.029 1.00 0.00 C ATOM 1079 NZ LYS A 68 -3.787 -10.709 -12.484 1.00 0.00 N ATOM 0 H LYS A 68 -3.075 -8.446 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.748 -10.187 -7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.640 -7.870 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.159 -9.537 -9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.979 -8.409 -10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.971 -8.960 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.078 -11.291 -10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.056 -10.751 -9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.576 -11.661 -10.768 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.789 -9.921 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.662 -10.877 -13.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.390 -9.785 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.098 -11.457 -12.703 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.826 -6.934 -7.061 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.153 -5.723 -6.588 1.00 0.00 C ATOM 1095 C TYR A 69 -0.319 -5.582 -5.071 1.00 0.00 C ATOM 1096 O TYR A 69 0.654 -5.498 -4.338 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.744 -4.490 -7.319 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.809 -4.643 -8.853 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.274 -4.311 -9.660 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.956 -5.125 -9.484 1.00 0.00 C ATOM 1101 CE1 TYR A 69 0.219 -4.442 -11.035 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -2.017 -5.266 -10.858 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.927 -4.923 -11.629 1.00 0.00 C ATOM 1104 OH TYR A 69 -0.991 -5.046 -13.002 1.00 0.00 O ATOM 0 H TYR A 69 -1.791 -6.769 -7.347 1.00 0.00 H new ATOM 0 HA TYR A 69 0.913 -5.790 -6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.749 -4.302 -6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.143 -3.614 -7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.180 -3.942 -9.201 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.815 -5.394 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.070 -4.169 -11.641 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.915 -5.643 -11.325 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.868 -5.401 -13.258 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.573 -5.616 -4.594 1.00 0.00 N ATOM 1115 CA PHE A 70 -1.891 -5.402 -3.160 1.00 0.00 C ATOM 1116 C PHE A 70 -1.767 -6.690 -2.325 1.00 0.00 C ATOM 1117 O PHE A 70 -2.151 -6.711 -1.151 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.288 -4.754 -3.038 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.284 -3.328 -3.573 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -2.874 -2.272 -2.757 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.636 -3.047 -4.892 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -2.828 -0.981 -3.240 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.578 -1.756 -5.375 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.176 -0.724 -4.545 1.00 0.00 C ATOM 0 H PHE A 70 -2.391 -5.790 -5.178 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.151 -4.721 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.017 -5.349 -3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.601 -4.752 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.589 -2.469 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.957 -3.847 -5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.519 -0.173 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.846 -1.551 -6.401 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.136 0.287 -4.924 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.173 -7.731 -2.945 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.903 -9.042 -2.328 1.00 0.00 C ATOM 1136 C LYS A 71 -0.088 -8.877 -1.035 1.00 0.00 C ATOM 1137 O LYS A 71 -0.475 -9.363 0.033 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.121 -9.909 -3.347 1.00 0.00 C ATOM 1139 CG LYS A 71 0.160 -11.356 -2.889 1.00 0.00 C ATOM 1140 CD LYS A 71 1.075 -12.135 -3.865 1.00 0.00 C ATOM 1141 CE LYS A 71 0.475 -12.271 -5.274 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.408 -12.938 -6.213 1.00 0.00 N ATOM 0 H LYS A 71 -0.860 -7.679 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.845 -9.526 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.683 -9.942 -4.281 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.829 -9.421 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.625 -11.335 -1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.786 -11.888 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.038 -11.629 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.266 -13.129 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.453 -12.840 -5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.221 -11.283 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.964 -13.009 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.284 -12.382 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.631 -13.891 -5.862 1.00 0.00 H new ATOM 1156 N ASP A 72 1.013 -8.139 -1.175 1.00 0.00 N ATOM 1157 CA ASP A 72 1.950 -7.815 -0.097 1.00 0.00 C ATOM 1158 C ASP A 72 2.638 -6.482 -0.429 1.00 0.00 C ATOM 1159 O ASP A 72 2.498 -5.973 -1.546 1.00 0.00 O ATOM 1160 CB ASP A 72 2.997 -8.947 0.082 1.00 0.00 C ATOM 1161 CG ASP A 72 3.850 -9.194 -1.174 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.424 -9.973 -2.053 1.00 0.00 O ATOM 1163 OD2 ASP A 72 4.946 -8.600 -1.293 1.00 0.00 O ATOM 0 H ASP A 72 1.287 -7.736 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 72 1.408 -7.722 0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.654 -8.696 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.482 -9.870 0.349 1.00 0.00 H new ATOM 1168 N LEU A 73 3.420 -5.952 0.524 1.00 0.00 N ATOM 1169 CA LEU A 73 4.076 -4.634 0.400 1.00 0.00 C ATOM 1170 C LEU A 73 5.108 -4.568 -0.731 1.00 0.00 C ATOM 1171 O LEU A 73 5.250 -3.520 -1.346 1.00 0.00 O ATOM 1172 CB LEU A 73 4.783 -4.269 1.718 1.00 0.00 C ATOM 1173 CG LEU A 73 3.890 -3.839 2.899 1.00 0.00 C ATOM 1174 CD1 LEU A 73 4.764 -3.579 4.133 1.00 0.00 C ATOM 1175 CD2 LEU A 73 3.046 -2.597 2.524 1.00 0.00 C ATOM 0 H LEU A 73 3.618 -6.424 1.406 1.00 0.00 H new ATOM 0 HA LEU A 73 3.280 -3.927 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.372 -5.129 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.485 -3.461 1.513 1.00 0.00 H new ATOM 0 HG LEU A 73 3.191 -4.641 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.133 -3.275 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.301 -4.490 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.480 -2.787 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.423 -2.311 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.709 -1.771 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.411 -2.833 1.670 1.00 0.00 H new ATOM 1187 N ASN A 74 5.873 -5.649 -0.940 1.00 0.00 N ATOM 1188 CA ASN A 74 6.903 -5.685 -2.006 1.00 0.00 C ATOM 1189 C ASN A 74 6.239 -5.592 -3.394 1.00 0.00 C ATOM 1190 O ASN A 74 6.763 -4.946 -4.318 1.00 0.00 O ATOM 1191 CB ASN A 74 7.773 -6.971 -1.895 1.00 0.00 C ATOM 1192 CG ASN A 74 8.822 -6.914 -0.775 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.405 -5.868 -0.515 1.00 0.00 O ATOM 1194 ND2 ASN A 74 9.067 -8.030 -0.106 1.00 0.00 N ATOM 0 H ASN A 74 5.805 -6.507 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 74 7.560 -4.825 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.120 -7.827 -1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.279 -7.140 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.755 -8.033 0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.567 -8.887 -0.343 1.00 0.00 H new ATOM 1201 N ALA A 75 5.074 -6.248 -3.507 1.00 0.00 N ATOM 1202 CA ALA A 75 4.232 -6.235 -4.714 1.00 0.00 C ATOM 1203 C ALA A 75 3.560 -4.863 -4.924 1.00 0.00 C ATOM 1204 O ALA A 75 3.352 -4.433 -6.069 1.00 0.00 O ATOM 1205 CB ALA A 75 3.191 -7.356 -4.606 1.00 0.00 C ATOM 0 H ALA A 75 4.684 -6.811 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 75 4.860 -6.409 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.562 -7.355 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.699 -8.317 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.572 -7.194 -3.724 1.00 0.00 H new ATOM 1211 N ILE A 76 3.185 -4.194 -3.816 1.00 0.00 N ATOM 1212 CA ILE A 76 2.649 -2.821 -3.856 1.00 0.00 C ATOM 1213 C ILE A 76 3.744 -1.844 -4.309 1.00 0.00 C ATOM 1214 O ILE A 76 3.537 -1.053 -5.216 1.00 0.00 O ATOM 1215 CB ILE A 76 2.083 -2.365 -2.452 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.858 -3.225 -2.033 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.720 -0.862 -2.433 1.00 0.00 C ATOM 1218 CD1 ILE A 76 0.219 -2.834 -0.707 1.00 0.00 C ATOM 0 H ILE A 76 3.245 -4.587 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 76 1.824 -2.813 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 76 2.880 -2.521 -1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.103 -3.160 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.168 -4.268 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.335 -0.593 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.609 -0.270 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.959 -0.662 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.626 -3.491 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.954 -2.928 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.129 -1.802 -0.761 1.00 0.00 H new ATOM 1230 N SER A 77 4.913 -1.949 -3.677 1.00 0.00 N ATOM 1231 CA SER A 77 6.040 -1.035 -3.875 1.00 0.00 C ATOM 1232 C SER A 77 6.504 -1.037 -5.332 1.00 0.00 C ATOM 1233 O SER A 77 6.753 0.023 -5.900 1.00 0.00 O ATOM 1234 CB SER A 77 7.203 -1.436 -2.957 1.00 0.00 C ATOM 1235 OG SER A 77 8.381 -0.691 -3.215 1.00 0.00 O ATOM 0 H SER A 77 5.108 -2.686 -2.999 1.00 0.00 H new ATOM 0 HA SER A 77 5.709 -0.027 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.907 -1.293 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.413 -2.498 -3.085 1.00 0.00 H new ATOM 0 HG SER A 77 9.091 -0.981 -2.605 1.00 0.00 H new ATOM 1241 N ARG A 78 6.565 -2.250 -5.932 1.00 0.00 N ATOM 1242 CA ARG A 78 7.111 -2.436 -7.280 1.00 0.00 C ATOM 1243 C ARG A 78 6.236 -1.724 -8.334 1.00 0.00 C ATOM 1244 O ARG A 78 6.755 -1.186 -9.328 1.00 0.00 O ATOM 1245 CB ARG A 78 7.283 -3.948 -7.613 1.00 0.00 C ATOM 1246 CG ARG A 78 5.994 -4.698 -7.999 1.00 0.00 C ATOM 1247 CD ARG A 78 6.225 -6.198 -8.212 1.00 0.00 C ATOM 1248 NE ARG A 78 7.259 -6.470 -9.233 1.00 0.00 N ATOM 1249 CZ ARG A 78 7.767 -7.682 -9.515 1.00 0.00 C ATOM 1250 NH1 ARG A 78 7.350 -8.765 -8.876 1.00 0.00 N ATOM 1251 NH2 ARG A 78 8.717 -7.801 -10.433 1.00 0.00 N ATOM 0 H ARG A 78 6.239 -3.112 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 78 8.100 -1.979 -7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.995 -4.042 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.725 -4.444 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.248 -4.557 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.585 -4.264 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.522 -6.655 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.289 -6.668 -8.513 1.00 0.00 H new ATOM 0 HE ARG A 78 7.615 -5.676 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.631 -8.687 -8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.747 -9.676 -9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.060 -6.974 -10.922 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.105 -8.719 -10.650 1.00 0.00 H new ATOM 1265 N THR A 79 4.902 -1.711 -8.094 1.00 0.00 N ATOM 1266 CA THR A 79 3.959 -1.027 -8.981 1.00 0.00 C ATOM 1267 C THR A 79 3.894 0.477 -8.651 1.00 0.00 C ATOM 1268 O THR A 79 3.635 1.262 -9.537 1.00 0.00 O ATOM 1269 CB THR A 79 2.525 -1.671 -8.963 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.773 -1.222 -10.102 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.714 -1.366 -7.690 1.00 0.00 C ATOM 0 H THR A 79 4.466 -2.168 -7.293 1.00 0.00 H new ATOM 0 HA THR A 79 4.338 -1.148 -9.996 1.00 0.00 H new ATOM 0 HB THR A 79 2.686 -2.749 -8.989 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.112 -1.903 -10.347 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.738 -1.846 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.247 -1.747 -6.819 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.582 -0.288 -7.592 1.00 0.00 H new ATOM 1279 N VAL A 80 4.147 0.875 -7.378 1.00 0.00 N ATOM 1280 CA VAL A 80 4.155 2.308 -6.972 1.00 0.00 C ATOM 1281 C VAL A 80 5.366 3.036 -7.595 1.00 0.00 C ATOM 1282 O VAL A 80 5.293 4.228 -7.869 1.00 0.00 O ATOM 1283 CB VAL A 80 4.143 2.490 -5.394 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.375 3.971 -4.958 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.819 1.959 -4.787 1.00 0.00 C ATOM 0 H VAL A 80 4.348 0.228 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 80 3.236 2.756 -7.350 1.00 0.00 H new ATOM 0 HB VAL A 80 4.977 1.903 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.357 4.037 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.343 4.311 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.587 4.600 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.834 2.094 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.978 2.509 -5.210 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.712 0.899 -5.018 1.00 0.00 H new ATOM 1295 N GLU A 81 6.469 2.300 -7.817 1.00 0.00 N ATOM 1296 CA GLU A 81 7.675 2.824 -8.492 1.00 0.00 C ATOM 1297 C GLU A 81 7.418 3.064 -9.993 1.00 0.00 C ATOM 1298 O GLU A 81 7.925 4.033 -10.574 1.00 0.00 O ATOM 1299 CB GLU A 81 8.848 1.833 -8.330 1.00 0.00 C ATOM 1300 CG GLU A 81 9.271 1.583 -6.877 1.00 0.00 C ATOM 1301 CD GLU A 81 10.389 0.535 -6.758 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.093 -0.683 -6.766 1.00 0.00 O ATOM 1303 OE2 GLU A 81 11.571 0.923 -6.682 1.00 0.00 O ATOM 0 H GLU A 81 6.552 1.324 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 81 7.928 3.776 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.569 0.882 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.706 2.211 -8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.608 2.520 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.406 1.252 -6.302 1.00 0.00 H new ATOM 1310 N GLN A 82 6.652 2.149 -10.617 1.00 0.00 N ATOM 1311 CA GLN A 82 6.237 2.303 -12.026 1.00 0.00 C ATOM 1312 C GLN A 82 5.242 3.467 -12.141 1.00 0.00 C ATOM 1313 O GLN A 82 5.421 4.362 -12.949 1.00 0.00 O ATOM 1314 CB GLN A 82 5.624 0.989 -12.581 1.00 0.00 C ATOM 1315 CG GLN A 82 5.072 1.079 -14.031 1.00 0.00 C ATOM 1316 CD GLN A 82 6.092 1.574 -15.079 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.302 1.365 -14.949 1.00 0.00 O ATOM 1318 NE2 GLN A 82 5.608 2.227 -16.132 1.00 0.00 N ATOM 0 H GLN A 82 6.309 1.299 -10.171 1.00 0.00 H new ATOM 0 HA GLN A 82 7.117 2.526 -12.629 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.384 0.209 -12.546 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.816 0.676 -11.920 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.713 0.094 -14.330 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.211 1.748 -14.037 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.604 2.387 -16.216 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.241 2.568 -16.856 1.00 0.00 H new ATOM 1327 N LEU A 83 4.225 3.437 -11.278 1.00 0.00 N ATOM 1328 CA LEU A 83 3.189 4.480 -11.147 1.00 0.00 C ATOM 1329 C LEU A 83 3.786 5.828 -10.667 1.00 0.00 C ATOM 1330 O LEU A 83 3.145 6.862 -10.806 1.00 0.00 O ATOM 1331 CB LEU A 83 2.056 3.994 -10.187 1.00 0.00 C ATOM 1332 CG LEU A 83 0.882 3.143 -10.806 1.00 0.00 C ATOM 1333 CD1 LEU A 83 1.364 1.942 -11.656 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.083 2.681 -9.685 1.00 0.00 C ATOM 0 H LEU A 83 4.089 2.664 -10.627 1.00 0.00 H new ATOM 0 HA LEU A 83 2.761 4.655 -12.134 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.518 3.402 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.619 4.873 -9.713 1.00 0.00 H new ATOM 0 HG LEU A 83 0.352 3.796 -11.499 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.501 1.404 -12.048 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.973 2.304 -12.484 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.957 1.271 -11.035 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.892 2.094 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.462 2.071 -8.965 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.499 3.553 -9.181 1.00 0.00 H new ATOM 1346 N LYS A 84 4.991 5.789 -10.060 1.00 0.00 N ATOM 1347 CA LYS A 84 5.764 6.996 -9.703 1.00 0.00 C ATOM 1348 C LYS A 84 6.238 7.670 -10.990 1.00 0.00 C ATOM 1349 O LYS A 84 6.106 8.889 -11.160 1.00 0.00 O ATOM 1350 CB LYS A 84 6.998 6.628 -8.830 1.00 0.00 C ATOM 1351 CG LYS A 84 7.748 7.832 -8.214 1.00 0.00 C ATOM 1352 CD LYS A 84 7.068 8.358 -6.937 1.00 0.00 C ATOM 1353 CE LYS A 84 7.117 7.335 -5.787 1.00 0.00 C ATOM 1354 NZ LYS A 84 8.512 6.937 -5.472 1.00 0.00 N ATOM 0 H LYS A 84 5.455 4.918 -9.804 1.00 0.00 H new ATOM 0 HA LYS A 84 5.127 7.669 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.670 5.972 -8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.698 6.057 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.772 7.538 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.805 8.635 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.556 9.280 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.029 8.606 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.650 7.761 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.538 6.452 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.523 6.369 -4.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.898 6.374 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.094 7.788 -5.338 1.00 0.00 H new ATOM 1368 N ALA A 85 6.767 6.824 -11.897 1.00 0.00 N ATOM 1369 CA ALA A 85 7.249 7.249 -13.216 1.00 0.00 C ATOM 1370 C ALA A 85 6.073 7.788 -14.038 1.00 0.00 C ATOM 1371 O ALA A 85 6.169 8.857 -14.620 1.00 0.00 O ATOM 1372 CB ALA A 85 7.939 6.089 -13.956 1.00 0.00 C ATOM 0 H ALA A 85 6.870 5.823 -11.729 1.00 0.00 H new ATOM 0 HA ALA A 85 7.988 8.039 -13.081 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.286 6.434 -14.930 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.790 5.739 -13.371 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.231 5.271 -14.091 1.00 0.00 H new ATOM 1378 N GLU A 86 4.950 7.045 -14.001 1.00 0.00 N ATOM 1379 CA GLU A 86 3.713 7.371 -14.735 1.00 0.00 C ATOM 1380 C GLU A 86 3.122 8.700 -14.237 1.00 0.00 C ATOM 1381 O GLU A 86 2.731 9.533 -15.041 1.00 0.00 O ATOM 1382 CB GLU A 86 2.677 6.220 -14.585 1.00 0.00 C ATOM 1383 CG GLU A 86 3.177 4.847 -15.082 1.00 0.00 C ATOM 1384 CD GLU A 86 3.486 4.817 -16.586 1.00 0.00 C ATOM 1385 OE1 GLU A 86 2.539 4.670 -17.386 1.00 0.00 O ATOM 1386 OE2 GLU A 86 4.671 4.932 -16.981 1.00 0.00 O ATOM 0 H GLU A 86 4.876 6.189 -13.452 1.00 0.00 H new ATOM 0 HA GLU A 86 3.957 7.482 -15.792 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.397 6.133 -13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.774 6.486 -15.135 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.076 4.574 -14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.423 4.092 -14.859 1.00 0.00 H new ATOM 1393 N SER A 87 3.091 8.884 -12.901 1.00 0.00 N ATOM 1394 CA SER A 87 2.600 10.123 -12.254 1.00 0.00 C ATOM 1395 C SER A 87 3.500 11.329 -12.619 1.00 0.00 C ATOM 1396 O SER A 87 3.006 12.453 -12.801 1.00 0.00 O ATOM 1397 CB SER A 87 2.542 9.937 -10.712 1.00 0.00 C ATOM 1398 OG SER A 87 2.065 11.092 -10.039 1.00 0.00 O ATOM 0 H SER A 87 3.406 8.177 -12.237 1.00 0.00 H new ATOM 0 HA SER A 87 1.594 10.327 -12.621 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.896 9.091 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.537 9.691 -10.342 1.00 0.00 H new ATOM 0 HG SER A 87 2.479 11.148 -9.152 1.00 0.00 H new ATOM 1404 N ALA A 88 4.815 11.067 -12.736 1.00 0.00 N ATOM 1405 CA ALA A 88 5.829 12.092 -13.046 1.00 0.00 C ATOM 1406 C ALA A 88 5.805 12.480 -14.542 1.00 0.00 C ATOM 1407 O ALA A 88 6.032 13.639 -14.890 1.00 0.00 O ATOM 1408 CB ALA A 88 7.226 11.588 -12.629 1.00 0.00 C ATOM 0 H ALA A 88 5.206 10.132 -12.617 1.00 0.00 H new ATOM 0 HA ALA A 88 5.593 12.991 -12.477 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.971 12.349 -12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.235 11.385 -11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.460 10.673 -13.174 1.00 0.00 H new ATOM 1414 N LEU A 89 5.527 11.494 -15.418 1.00 0.00 N ATOM 1415 CA LEU A 89 5.474 11.696 -16.883 1.00 0.00 C ATOM 1416 C LEU A 89 4.127 12.300 -17.307 1.00 0.00 C ATOM 1417 O LEU A 89 4.058 13.020 -18.307 1.00 0.00 O ATOM 1418 CB LEU A 89 5.714 10.352 -17.638 1.00 0.00 C ATOM 1419 CG LEU A 89 7.113 9.691 -17.448 1.00 0.00 C ATOM 1420 CD1 LEU A 89 7.198 8.332 -18.172 1.00 0.00 C ATOM 1421 CD2 LEU A 89 8.254 10.630 -17.882 1.00 0.00 C ATOM 0 H LEU A 89 5.333 10.535 -15.132 1.00 0.00 H new ATOM 0 HA LEU A 89 6.268 12.394 -17.149 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.953 9.640 -17.318 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.560 10.526 -18.703 1.00 0.00 H new ATOM 0 HG LEU A 89 7.237 9.505 -16.381 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.187 7.899 -18.019 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.441 7.658 -17.771 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.027 8.477 -19.239 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.212 10.131 -17.734 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.136 10.883 -18.936 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.223 11.541 -17.284 1.00 0.00 H new ATOM 1433 N GLU A 90 3.070 12.013 -16.532 1.00 0.00 N ATOM 1434 CA GLU A 90 1.690 12.427 -16.845 1.00 0.00 C ATOM 1435 C GLU A 90 1.515 13.936 -16.548 1.00 0.00 C ATOM 1436 CB GLU A 90 0.693 11.567 -16.016 1.00 0.00 C ATOM 1437 CG GLU A 90 -0.787 11.693 -16.411 1.00 0.00 C ATOM 1438 CD GLU A 90 -1.072 11.193 -17.831 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -0.789 10.006 -18.122 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -1.561 11.972 -18.671 1.00 0.00 O ATOM 0 H GLU A 90 3.147 11.483 -15.664 1.00 0.00 H new ATOM 0 HA GLU A 90 1.484 12.267 -17.903 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.985 10.521 -16.103 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.794 11.839 -14.965 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.395 11.129 -15.704 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.091 12.737 -16.331 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -14.115 -2.417 -5.016 1.00 40.21 P HETATM 1449 O25 PNS A 101 -15.547 -2.529 -4.642 1.00 1.13 O HETATM 1450 O26 PNS A 101 -13.790 -1.400 -6.043 1.00 14.13 O HETATM 1451 O27 PNS A 101 -13.535 -3.846 -5.460 1.00 21.14 O HETATM 1452 C28 PNS A 101 -12.150 -4.040 -5.721 1.00 62.41 C HETATM 1453 C29 PNS A 101 -11.829 -5.540 -5.684 1.00 14.43 C HETATM 1454 C30 PNS A 101 -12.231 -6.090 -4.303 1.00 72.10 C HETATM 1455 C31 PNS A 101 -10.321 -5.723 -5.890 1.00 64.23 C HETATM 1456 C32 PNS A 101 -12.624 -6.249 -6.783 1.00 1.41 C HETATM 1457 O33 PNS A 101 -12.271 -5.699 -8.076 1.00 52.54 O HETATM 1458 C34 PNS A 101 -12.355 -7.778 -6.818 1.00 31.54 C HETATM 1459 O35 PNS A 101 -13.040 -8.559 -6.143 1.00 21.51 O HETATM 1460 N36 PNS A 101 -11.344 -8.169 -7.609 1.00 12.53 N HETATM 1461 C37 PNS A 101 -10.882 -9.556 -7.817 1.00 2.15 C HETATM 1462 C38 PNS A 101 -10.190 -10.181 -6.595 1.00 10.33 C HETATM 1463 C39 PNS A 101 -8.945 -9.416 -6.144 1.00 60.43 C HETATM 1464 O40 PNS A 101 -7.932 -9.400 -6.849 1.00 44.44 O HETATM 1465 N41 PNS A 101 -9.034 -8.776 -4.966 1.00 10.35 N HETATM 1466 C42 PNS A 101 -7.964 -7.983 -4.344 1.00 74.43 C HETATM 1467 C43 PNS A 101 -8.391 -7.431 -2.984 1.00 50.01 C HETATM 1468 S44 PNS A 101 -8.817 -8.793 -1.873 1.00 5.24 S HETATM 0 H432 PNS A 101 -7.585 -6.837 -2.553 1.00 50.01 H new HETATM 0 H431 PNS A 101 -9.247 -6.767 -3.104 1.00 50.01 H new HETATM 0 H422 PNS A 101 -7.691 -7.158 -5.003 1.00 74.43 H new HETATM 0 H421 PNS A 101 -7.075 -8.602 -4.223 1.00 74.43 H new HETATM 0 H382 PNS A 101 -9.911 -11.208 -6.831 1.00 10.33 H new HETATM 0 H381 PNS A 101 -10.899 -10.225 -5.768 1.00 10.33 H new HETATM 0 H372 PNS A 101 -10.191 -9.574 -8.660 1.00 2.15 H new HETATM 0 H371 PNS A 101 -11.737 -10.174 -8.092 1.00 2.15 H new HETATM 0 H313 PNS A 101 -10.077 -6.785 -5.866 1.00 64.23 H new HETATM 0 H312 PNS A 101 -9.780 -5.208 -5.096 1.00 64.23 H new HETATM 0 H311 PNS A 101 -10.032 -5.306 -6.855 1.00 64.23 H new HETATM 0 H303 PNS A 101 -12.010 -7.156 -4.258 1.00 72.10 H new HETATM 0 H302 PNS A 101 -13.298 -5.934 -4.146 1.00 72.10 H new HETATM 0 H301 PNS A 101 -11.670 -5.570 -3.527 1.00 72.10 H new HETATM 0 H282 PNS A 101 -11.551 -3.510 -4.980 1.00 62.41 H new HETATM 0 H281 PNS A 101 -11.891 -3.625 -6.695 1.00 62.41 H new HETATM 0 H44 PNS A 101 -9.177 -8.315 -0.719 1.00 5.24 H new HETATM 0 H41 PNS A 101 -9.918 -8.846 -4.461 1.00 10.35 H new HETATM 0 H36 PNS A 101 -10.846 -7.437 -8.116 1.00 12.53 H new HETATM 0 H33 PNS A 101 -12.781 -6.157 -8.777 1.00 52.54 H new HETATM 0 H32 PNS A 101 -13.679 -6.089 -6.561 1.00 1.41 H new