USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 922 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 12 GLN : amide:sc= -5.15! C(o=-10!,f=-14!) USER MOD Set 1.2: A 32 GLN : amide:sc= -4.93! C(o=-10!,f=-18!) USER MOD Set 2.1: A 20 ASN : amide:sc= 0.748 K(o=-1.5,f=-3.3) USER MOD Set 2.2: A 24 ASN : amide:sc= 0.0162 X(o=-1.5,f=-1.5) USER MOD Set 2.3: A 28 TYR OH : rot 29:sc= -2.28 USER MOD Set 2.4: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -126:sc= -0.934! (180deg=-4.11!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -1.97! C(o=-2!,f=-2.4!) USER MOD Single : A 38 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.15) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0016 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 153:sc= -16.6! (180deg=-22.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 141:sc= -2.62! (180deg=-5.64!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -173:sc= -0.366 (180deg=-0.464) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0248) USER MOD Single : A 75 ASN : amide:sc= -2.42 K(o=-2.4,f=-5.5!) USER MOD Single : A 81 MET CE :methyl 162:sc= -16.9! (180deg=-19.7!) USER MOD Single : A 82 THR OG1 : rot 150:sc= 0.00323 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -130:sc= -4.28! (180deg=-9.85!) USER MOD Single : A 91 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.4!) USER MOD Single : A 93 SER OG : rot -70:sc= 0.403 USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0702) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.383 USER MOD Single : A 101 HIS : no HD1:sc= -8.31! C(o=-8.3!,f=-9.8!) USER MOD Single : A 104 LYS NZ :NH3+ -140:sc= -0.0128 (180deg=-1.24!) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 -4.705 -8.407 12.410 1.00 0.00 N ATOM 50 CA GLU A 4 -4.256 -8.216 11.041 1.00 0.00 C ATOM 51 C GLU A 4 -2.862 -7.585 11.023 1.00 0.00 C ATOM 52 O GLU A 4 -2.285 -7.315 12.075 1.00 0.00 O ATOM 53 CB GLU A 4 -5.253 -7.367 10.250 1.00 0.00 C ATOM 54 CG GLU A 4 -5.781 -8.131 9.035 1.00 0.00 C ATOM 55 CD GLU A 4 -7.044 -8.919 9.388 1.00 0.00 C ATOM 56 OE1 GLU A 4 -7.008 -9.614 10.427 1.00 0.00 O ATOM 57 OE2 GLU A 4 -8.018 -8.808 8.612 1.00 0.00 O ATOM 0 HA GLU A 4 -4.198 -9.192 10.559 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.085 -7.082 10.894 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.772 -6.445 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.998 -7.432 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.014 -8.813 8.668 1.00 0.00 H new ATOM 64 N LYS A 5 -2.362 -7.369 9.815 1.00 0.00 N ATOM 65 CA LYS A 5 -1.047 -6.775 9.646 1.00 0.00 C ATOM 66 C LYS A 5 -1.037 -5.922 8.375 1.00 0.00 C ATOM 67 O LYS A 5 -1.574 -6.329 7.346 1.00 0.00 O ATOM 68 CB LYS A 5 0.036 -7.855 9.670 1.00 0.00 C ATOM 69 CG LYS A 5 0.040 -8.599 11.007 1.00 0.00 C ATOM 70 CD LYS A 5 0.662 -7.740 12.110 1.00 0.00 C ATOM 71 CE LYS A 5 2.183 -7.668 11.956 1.00 0.00 C ATOM 72 NZ LYS A 5 2.837 -7.648 13.284 1.00 0.00 N ATOM 0 H LYS A 5 -2.844 -7.595 8.945 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.820 -6.110 10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.132 -8.562 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.012 -7.400 9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.980 -8.867 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.598 -9.530 10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.241 -6.735 12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.411 -8.156 13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.537 -8.524 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.456 -6.774 11.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.470 -6.825 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.112 -7.585 14.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.389 -8.520 13.412 1.00 0.00 H new ATOM 86 N ILE A 6 -0.420 -4.755 8.489 1.00 0.00 N ATOM 87 CA ILE A 6 -0.333 -3.842 7.362 1.00 0.00 C ATOM 88 C ILE A 6 0.914 -2.968 7.514 1.00 0.00 C ATOM 89 O ILE A 6 1.370 -2.721 8.629 1.00 0.00 O ATOM 90 CB ILE A 6 -1.630 -3.043 7.218 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.417 -3.493 5.986 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.349 -1.540 7.201 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.907 -3.627 6.307 1.00 0.00 C ATOM 0 H ILE A 6 0.024 -4.421 9.344 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.222 -4.397 6.430 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.253 -3.244 8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.278 -2.774 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.030 -4.448 5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.288 -0.996 7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.862 -1.250 8.132 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.697 -1.301 6.361 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.444 -3.948 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.044 -4.364 7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.296 -2.664 6.638 1.00 0.00 H new ATOM 105 N LEU A 7 1.429 -2.525 6.377 1.00 0.00 N ATOM 106 CA LEU A 7 2.614 -1.684 6.370 1.00 0.00 C ATOM 107 C LEU A 7 2.393 -0.506 5.418 1.00 0.00 C ATOM 108 O LEU A 7 1.738 -0.652 4.387 1.00 0.00 O ATOM 109 CB LEU A 7 3.858 -2.513 6.043 1.00 0.00 C ATOM 110 CG LEU A 7 5.061 -2.310 6.967 1.00 0.00 C ATOM 111 CD1 LEU A 7 5.041 -3.312 8.122 1.00 0.00 C ATOM 112 CD2 LEU A 7 6.372 -2.368 6.180 1.00 0.00 C ATOM 0 H LEU A 7 1.048 -2.732 5.454 1.00 0.00 H new ATOM 0 HA LEU A 7 2.789 -1.265 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.583 -3.568 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.166 -2.283 5.023 1.00 0.00 H new ATOM 0 HG LEU A 7 4.992 -1.314 7.405 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.907 -3.146 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.128 -3.179 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.074 -4.326 7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.211 -2.221 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.463 -3.340 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.377 -1.584 5.423 1.00 0.00 H new ATOM 124 N ILE A 8 2.951 0.633 5.799 1.00 0.00 N ATOM 125 CA ILE A 8 2.823 1.835 4.992 1.00 0.00 C ATOM 126 C ILE A 8 4.211 2.286 4.533 1.00 0.00 C ATOM 127 O ILE A 8 5.192 2.122 5.256 1.00 0.00 O ATOM 128 CB ILE A 8 2.048 2.912 5.754 1.00 0.00 C ATOM 129 CG1 ILE A 8 0.592 2.492 5.965 1.00 0.00 C ATOM 130 CG2 ILE A 8 2.158 4.267 5.052 1.00 0.00 C ATOM 131 CD1 ILE A 8 -0.004 3.179 7.196 1.00 0.00 C ATOM 0 H ILE A 8 3.493 0.750 6.655 1.00 0.00 H new ATOM 0 HA ILE A 8 2.240 1.630 4.094 1.00 0.00 H new ATOM 0 HB ILE A 8 2.498 3.024 6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.005 2.746 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.536 1.410 6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.598 5.015 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 8 3.205 4.564 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.749 4.189 4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.039 2.863 7.323 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.571 2.904 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.032 4.260 7.062 1.00 0.00 H new ATOM 143 N VAL A 9 4.250 2.846 3.332 1.00 0.00 N ATOM 144 CA VAL A 9 5.501 3.322 2.768 1.00 0.00 C ATOM 145 C VAL A 9 5.227 4.545 1.891 1.00 0.00 C ATOM 146 O VAL A 9 4.305 4.535 1.077 1.00 0.00 O ATOM 147 CB VAL A 9 6.199 2.188 2.013 1.00 0.00 C ATOM 148 CG1 VAL A 9 7.661 2.539 1.728 1.00 0.00 C ATOM 149 CG2 VAL A 9 6.091 0.870 2.782 1.00 0.00 C ATOM 0 H VAL A 9 3.434 2.980 2.734 1.00 0.00 H new ATOM 0 HA VAL A 9 6.182 3.636 3.559 1.00 0.00 H new ATOM 0 HB VAL A 9 5.692 2.060 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.134 1.717 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.706 3.443 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.185 2.707 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.595 0.081 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.560 0.980 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.041 0.609 2.911 1.00 0.00 H new ATOM 159 N ASP A 10 6.046 5.568 2.086 1.00 0.00 N ATOM 160 CA ASP A 10 5.903 6.796 1.323 1.00 0.00 C ATOM 161 C ASP A 10 4.450 7.270 1.392 1.00 0.00 C ATOM 162 O ASP A 10 3.602 6.597 1.976 1.00 0.00 O ATOM 163 CB ASP A 10 6.258 6.575 -0.149 1.00 0.00 C ATOM 164 CG ASP A 10 7.732 6.263 -0.419 1.00 0.00 C ATOM 165 OD1 ASP A 10 8.512 7.236 -0.497 1.00 0.00 O ATOM 166 OD2 ASP A 10 8.044 5.059 -0.541 1.00 0.00 O ATOM 0 H ASP A 10 6.811 5.572 2.761 1.00 0.00 H new ATOM 0 HA ASP A 10 6.578 7.537 1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.652 5.755 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.982 7.467 -0.712 1.00 0.00 H new ATOM 171 N ASP A 11 4.207 8.424 0.789 1.00 0.00 N ATOM 172 CA ASP A 11 2.871 8.995 0.775 1.00 0.00 C ATOM 173 C ASP A 11 2.454 9.341 2.205 1.00 0.00 C ATOM 174 O ASP A 11 1.298 9.677 2.455 1.00 0.00 O ATOM 175 CB ASP A 11 1.853 8.000 0.213 1.00 0.00 C ATOM 176 CG ASP A 11 0.810 8.605 -0.729 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.226 9.073 -1.811 1.00 0.00 O ATOM 178 OD2 ASP A 11 -0.379 8.586 -0.345 1.00 0.00 O ATOM 0 H ASP A 11 4.913 8.980 0.306 1.00 0.00 H new ATOM 0 HA ASP A 11 2.891 9.885 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.390 7.215 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.336 7.523 1.046 1.00 0.00 H new ATOM 183 N GLN A 12 3.420 9.247 3.108 1.00 0.00 N ATOM 184 CA GLN A 12 3.167 9.546 4.507 1.00 0.00 C ATOM 185 C GLN A 12 3.197 11.058 4.741 1.00 0.00 C ATOM 186 O GLN A 12 4.261 11.675 4.701 1.00 0.00 O ATOM 187 CB GLN A 12 4.174 8.832 5.411 1.00 0.00 C ATOM 188 CG GLN A 12 5.593 8.946 4.849 1.00 0.00 C ATOM 189 CD GLN A 12 6.613 9.144 5.972 1.00 0.00 C ATOM 190 OE1 GLN A 12 7.581 8.413 6.101 1.00 0.00 O ATOM 191 NE2 GLN A 12 6.343 10.170 6.773 1.00 0.00 N ATOM 0 H GLN A 12 4.378 8.968 2.898 1.00 0.00 H new ATOM 0 HA GLN A 12 2.173 9.178 4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.140 9.263 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.900 7.781 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.838 8.046 4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.646 9.783 4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.515 10.742 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.964 10.385 7.553 1.00 0.00 H new ATOM 200 N TYR A 13 2.017 11.611 4.979 1.00 0.00 N ATOM 201 CA TYR A 13 1.895 13.039 5.219 1.00 0.00 C ATOM 202 C TYR A 13 0.687 13.345 6.108 1.00 0.00 C ATOM 203 O TYR A 13 0.100 14.421 6.014 1.00 0.00 O ATOM 204 CB TYR A 13 1.679 13.680 3.847 1.00 0.00 C ATOM 205 CG TYR A 13 2.646 14.825 3.535 1.00 0.00 C ATOM 206 CD1 TYR A 13 3.943 14.548 3.156 1.00 0.00 C ATOM 207 CD2 TYR A 13 2.220 16.134 3.634 1.00 0.00 C ATOM 208 CE1 TYR A 13 4.853 15.625 2.863 1.00 0.00 C ATOM 209 CE2 TYR A 13 3.130 17.211 3.341 1.00 0.00 C ATOM 210 CZ TYR A 13 4.401 16.903 2.970 1.00 0.00 C ATOM 211 OH TYR A 13 5.261 17.920 2.693 1.00 0.00 O ATOM 0 H TYR A 13 1.137 11.096 5.011 1.00 0.00 H new ATOM 0 HA TYR A 13 2.783 13.420 5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.781 12.913 3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.657 14.055 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.276 13.524 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.205 16.351 3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.871 15.422 2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.810 18.240 3.414 1.00 0.00 H new ATOM 0 HH TYR A 13 4.802 18.778 2.810 1.00 0.00 H new ATOM 221 N GLY A 14 0.353 12.378 6.950 1.00 0.00 N ATOM 222 CA GLY A 14 -0.774 12.530 7.854 1.00 0.00 C ATOM 223 C GLY A 14 -1.945 11.644 7.424 1.00 0.00 C ATOM 224 O GLY A 14 -2.920 11.497 8.160 1.00 0.00 O ATOM 0 H GLY A 14 0.843 11.487 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.469 12.270 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.091 13.573 7.874 1.00 0.00 H new ATOM 228 N ILE A 15 -1.811 11.076 6.235 1.00 0.00 N ATOM 229 CA ILE A 15 -2.845 10.208 5.699 1.00 0.00 C ATOM 230 C ILE A 15 -2.638 8.787 6.228 1.00 0.00 C ATOM 231 O ILE A 15 -3.593 8.126 6.632 1.00 0.00 O ATOM 232 CB ILE A 15 -2.881 10.296 4.172 1.00 0.00 C ATOM 233 CG1 ILE A 15 -3.289 11.698 3.713 1.00 0.00 C ATOM 234 CG2 ILE A 15 -3.785 9.213 3.581 1.00 0.00 C ATOM 235 CD1 ILE A 15 -2.268 12.271 2.727 1.00 0.00 C ATOM 0 H ILE A 15 -1.001 11.200 5.627 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.828 10.535 6.037 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.874 10.114 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.272 11.659 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.375 12.357 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.793 9.298 2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.409 8.230 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.799 9.338 3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.582 13.268 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.292 12.331 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.203 11.623 1.853 1.00 0.00 H new ATOM 247 N ARG A 16 -1.384 8.360 6.209 1.00 0.00 N ATOM 248 CA ARG A 16 -1.040 7.030 6.681 1.00 0.00 C ATOM 249 C ARG A 16 -1.767 6.728 7.993 1.00 0.00 C ATOM 250 O ARG A 16 -2.228 5.608 8.208 1.00 0.00 O ATOM 251 CB ARG A 16 0.469 6.897 6.900 1.00 0.00 C ATOM 252 CG ARG A 16 1.028 8.122 7.625 1.00 0.00 C ATOM 253 CD ARG A 16 2.473 7.885 8.070 1.00 0.00 C ATOM 254 NE ARG A 16 2.497 7.367 9.456 1.00 0.00 N ATOM 255 CZ ARG A 16 3.573 7.405 10.253 1.00 0.00 C ATOM 256 NH1 ARG A 16 4.720 7.935 9.806 1.00 0.00 N ATOM 257 NH2 ARG A 16 3.503 6.912 11.497 1.00 0.00 N ATOM 0 H ARG A 16 -0.594 8.912 5.874 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.350 6.316 5.917 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.678 5.999 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.970 6.778 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.984 8.990 6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.409 8.349 8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.957 7.175 7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.038 8.815 8.011 1.00 0.00 H new ATOM 0 HE ARG A 16 1.641 6.955 9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.774 8.310 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.539 7.964 10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.630 6.508 11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.322 6.941 12.104 1.00 0.00 H new ATOM 271 N ILE A 17 -1.846 7.746 8.837 1.00 0.00 N ATOM 272 CA ILE A 17 -2.510 7.604 10.122 1.00 0.00 C ATOM 273 C ILE A 17 -4.012 7.424 9.898 1.00 0.00 C ATOM 274 O ILE A 17 -4.631 6.544 10.494 1.00 0.00 O ATOM 275 CB ILE A 17 -2.161 8.779 11.038 1.00 0.00 C ATOM 276 CG1 ILE A 17 -0.650 8.863 11.270 1.00 0.00 C ATOM 277 CG2 ILE A 17 -2.939 8.699 12.352 1.00 0.00 C ATOM 278 CD1 ILE A 17 -0.211 10.311 11.496 1.00 0.00 C ATOM 0 H ILE A 17 -1.461 8.673 8.656 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.155 6.712 10.638 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.462 9.701 10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.377 8.257 12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.123 8.449 10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.673 9.546 12.985 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.009 8.724 12.144 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.691 7.770 12.866 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.866 10.343 11.658 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.464 10.909 10.620 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.722 10.714 12.370 1.00 0.00 H new ATOM 290 N LEU A 18 -4.556 8.272 9.037 1.00 0.00 N ATOM 291 CA LEU A 18 -5.974 8.218 8.728 1.00 0.00 C ATOM 292 C LEU A 18 -6.397 6.759 8.545 1.00 0.00 C ATOM 293 O LEU A 18 -7.296 6.278 9.232 1.00 0.00 O ATOM 294 CB LEU A 18 -6.294 9.106 7.524 1.00 0.00 C ATOM 295 CG LEU A 18 -7.738 9.603 7.421 1.00 0.00 C ATOM 296 CD1 LEU A 18 -7.906 10.949 8.129 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.196 9.661 5.962 1.00 0.00 C ATOM 0 H LEU A 18 -4.040 9.000 8.544 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.559 8.619 9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.634 9.973 7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.056 8.552 6.616 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.383 8.888 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.941 11.280 8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.648 10.841 9.182 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.249 11.687 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.225 10.017 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.552 10.342 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.137 8.665 5.522 1.00 0.00 H new ATOM 309 N LEU A 19 -5.727 6.095 7.614 1.00 0.00 N ATOM 310 CA LEU A 19 -6.022 4.700 7.332 1.00 0.00 C ATOM 311 C LEU A 19 -5.526 3.834 8.492 1.00 0.00 C ATOM 312 O LEU A 19 -6.021 2.727 8.701 1.00 0.00 O ATOM 313 CB LEU A 19 -5.447 4.295 5.973 1.00 0.00 C ATOM 314 CG LEU A 19 -3.961 3.928 5.956 1.00 0.00 C ATOM 315 CD1 LEU A 19 -3.758 2.492 5.469 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.157 4.933 5.129 1.00 0.00 C ATOM 0 H LEU A 19 -4.981 6.497 7.046 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.098 4.546 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.016 3.443 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.606 5.116 5.274 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.584 3.979 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.694 2.256 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.280 1.805 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.155 2.391 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.105 4.649 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.527 4.939 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.266 5.928 5.560 1.00 0.00 H new ATOM 328 N ASN A 20 -4.556 4.371 9.217 1.00 0.00 N ATOM 329 CA ASN A 20 -3.988 3.661 10.350 1.00 0.00 C ATOM 330 C ASN A 20 -5.066 3.473 11.420 1.00 0.00 C ATOM 331 O ASN A 20 -5.434 2.345 11.743 1.00 0.00 O ATOM 332 CB ASN A 20 -2.836 4.450 10.974 1.00 0.00 C ATOM 333 CG ASN A 20 -2.066 3.594 11.982 1.00 0.00 C ATOM 334 OD1 ASN A 20 -2.303 2.407 12.136 1.00 0.00 O ATOM 335 ND2 ASN A 20 -1.134 4.260 12.657 1.00 0.00 N ATOM 0 H ASN A 20 -4.149 5.290 9.042 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.615 2.701 9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.159 4.793 10.191 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.226 5.339 11.470 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.566 3.777 13.353 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.987 5.254 12.479 1.00 0.00 H new ATOM 342 N GLU A 21 -5.540 4.595 11.941 1.00 0.00 N ATOM 343 CA GLU A 21 -6.568 4.568 12.967 1.00 0.00 C ATOM 344 C GLU A 21 -7.736 3.684 12.526 1.00 0.00 C ATOM 345 O GLU A 21 -8.403 3.071 13.358 1.00 0.00 O ATOM 346 CB GLU A 21 -7.046 5.982 13.301 1.00 0.00 C ATOM 347 CG GLU A 21 -8.303 5.944 14.173 1.00 0.00 C ATOM 348 CD GLU A 21 -8.767 7.359 14.529 1.00 0.00 C ATOM 349 OE1 GLU A 21 -8.051 8.007 15.323 1.00 0.00 O ATOM 350 OE2 GLU A 21 -9.825 7.759 13.999 1.00 0.00 O ATOM 0 H GLU A 21 -5.231 5.529 11.672 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.138 4.142 13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.255 6.524 13.820 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.254 6.526 12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.099 5.418 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.100 5.384 15.086 1.00 0.00 H new ATOM 357 N VAL A 22 -7.947 3.646 11.219 1.00 0.00 N ATOM 358 CA VAL A 22 -9.022 2.847 10.657 1.00 0.00 C ATOM 359 C VAL A 22 -8.781 1.372 10.985 1.00 0.00 C ATOM 360 O VAL A 22 -9.649 0.707 11.548 1.00 0.00 O ATOM 361 CB VAL A 22 -9.143 3.113 9.155 1.00 0.00 C ATOM 362 CG1 VAL A 22 -9.740 1.905 8.430 1.00 0.00 C ATOM 363 CG2 VAL A 22 -9.965 4.375 8.887 1.00 0.00 C ATOM 0 H VAL A 22 -7.391 4.156 10.532 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.977 3.127 11.101 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.140 3.277 8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.815 2.121 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.098 1.037 8.580 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.733 1.696 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.036 4.542 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.965 4.253 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.480 5.231 9.356 1.00 0.00 H new ATOM 373 N PHE A 23 -7.597 0.903 10.618 1.00 0.00 N ATOM 374 CA PHE A 23 -7.230 -0.481 10.866 1.00 0.00 C ATOM 375 C PHE A 23 -6.780 -0.677 12.315 1.00 0.00 C ATOM 376 O PHE A 23 -7.002 -1.737 12.900 1.00 0.00 O ATOM 377 CB PHE A 23 -6.063 -0.808 9.933 1.00 0.00 C ATOM 378 CG PHE A 23 -6.486 -1.147 8.503 1.00 0.00 C ATOM 379 CD1 PHE A 23 -6.998 -2.375 8.218 1.00 0.00 C ATOM 380 CD2 PHE A 23 -6.350 -0.222 7.516 1.00 0.00 C ATOM 381 CE1 PHE A 23 -7.391 -2.690 6.890 1.00 0.00 C ATOM 382 CE2 PHE A 23 -6.743 -0.537 6.188 1.00 0.00 C ATOM 383 CZ PHE A 23 -7.255 -1.764 5.903 1.00 0.00 C ATOM 0 H PHE A 23 -6.879 1.457 10.151 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.087 -1.131 10.689 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.382 0.043 9.908 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -5.506 -1.649 10.345 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.106 -3.110 9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.943 0.753 7.742 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.798 -3.665 6.664 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.635 0.198 5.404 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.554 -2.003 4.893 1.00 0.00 H new ATOM 393 N ASN A 24 -6.156 0.360 12.853 1.00 0.00 N ATOM 394 CA ASN A 24 -5.672 0.315 14.223 1.00 0.00 C ATOM 395 C ASN A 24 -6.809 -0.130 15.146 1.00 0.00 C ATOM 396 O ASN A 24 -6.567 -0.749 16.181 1.00 0.00 O ATOM 397 CB ASN A 24 -5.199 1.694 14.686 1.00 0.00 C ATOM 398 CG ASN A 24 -4.030 1.572 15.665 1.00 0.00 C ATOM 399 OD1 ASN A 24 -2.879 1.799 15.329 1.00 0.00 O ATOM 400 ND2 ASN A 24 -4.387 1.202 16.891 1.00 0.00 N ATOM 0 H ASN A 24 -5.974 1.237 12.365 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.837 -0.384 14.263 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.895 2.287 13.823 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.023 2.224 15.163 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.679 1.093 17.617 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.369 1.028 17.106 1.00 0.00 H new ATOM 407 N LYS A 25 -8.025 0.204 14.738 1.00 0.00 N ATOM 408 CA LYS A 25 -9.199 -0.153 15.515 1.00 0.00 C ATOM 409 C LYS A 25 -9.169 -1.652 15.818 1.00 0.00 C ATOM 410 O LYS A 25 -9.834 -2.116 16.743 1.00 0.00 O ATOM 411 CB LYS A 25 -10.473 0.305 14.802 1.00 0.00 C ATOM 412 CG LYS A 25 -10.755 1.783 15.079 1.00 0.00 C ATOM 413 CD LYS A 25 -11.945 2.278 14.254 1.00 0.00 C ATOM 414 CE LYS A 25 -13.256 2.100 15.021 1.00 0.00 C ATOM 415 NZ LYS A 25 -14.411 2.436 14.158 1.00 0.00 N ATOM 0 H LYS A 25 -8.222 0.718 13.879 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.193 0.366 16.473 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.371 0.146 13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.317 -0.299 15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.959 1.925 16.140 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.872 2.376 14.842 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.806 3.330 14.004 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.993 1.730 13.313 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.343 1.071 15.371 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.257 2.738 15.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.293 2.310 14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.334 3.425 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.418 1.810 13.328 1.00 0.00 H new ATOM 429 N GLU A 26 -8.391 -2.369 15.020 1.00 0.00 N ATOM 430 CA GLU A 26 -8.265 -3.806 15.191 1.00 0.00 C ATOM 431 C GLU A 26 -7.080 -4.131 16.103 1.00 0.00 C ATOM 432 O GLU A 26 -7.026 -5.206 16.698 1.00 0.00 O ATOM 433 CB GLU A 26 -8.126 -4.509 13.839 1.00 0.00 C ATOM 434 CG GLU A 26 -9.439 -4.456 13.056 1.00 0.00 C ATOM 435 CD GLU A 26 -9.418 -5.439 11.884 1.00 0.00 C ATOM 436 OE1 GLU A 26 -8.772 -5.099 10.870 1.00 0.00 O ATOM 437 OE2 GLU A 26 -10.049 -6.508 12.028 1.00 0.00 O ATOM 0 H GLU A 26 -7.842 -1.981 14.253 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.174 -4.177 15.664 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.333 -4.036 13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.832 -5.547 13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.272 -4.692 13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.604 -3.445 12.684 1.00 0.00 H new ATOM 444 N GLY A 27 -6.159 -3.182 16.183 1.00 0.00 N ATOM 445 CA GLY A 27 -4.978 -3.353 17.011 1.00 0.00 C ATOM 446 C GLY A 27 -3.840 -3.998 16.217 1.00 0.00 C ATOM 447 O GLY A 27 -2.846 -4.437 16.794 1.00 0.00 O ATOM 0 H GLY A 27 -6.207 -2.292 15.688 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.655 -2.385 17.395 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.221 -3.973 17.874 1.00 0.00 H new ATOM 451 N TYR A 28 -4.022 -4.034 14.905 1.00 0.00 N ATOM 452 CA TYR A 28 -3.024 -4.618 14.026 1.00 0.00 C ATOM 453 C TYR A 28 -1.727 -3.806 14.055 1.00 0.00 C ATOM 454 O TYR A 28 -1.758 -2.584 14.185 1.00 0.00 O ATOM 455 CB TYR A 28 -3.616 -4.559 12.617 1.00 0.00 C ATOM 456 CG TYR A 28 -3.529 -3.179 11.962 1.00 0.00 C ATOM 457 CD1 TYR A 28 -3.688 -2.041 12.727 1.00 0.00 C ATOM 458 CD2 TYR A 28 -3.292 -3.072 10.607 1.00 0.00 C ATOM 459 CE1 TYR A 28 -3.606 -0.742 12.111 1.00 0.00 C ATOM 460 CE2 TYR A 28 -3.210 -1.773 9.991 1.00 0.00 C ATOM 461 CZ TYR A 28 -3.371 -0.672 10.773 1.00 0.00 C ATOM 462 OH TYR A 28 -3.294 0.555 10.191 1.00 0.00 O ATOM 0 H TYR A 28 -4.847 -3.668 14.429 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.787 -5.635 14.337 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.099 -5.282 11.986 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.662 -4.864 12.660 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.874 -2.125 13.788 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.168 -3.962 10.008 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.728 0.156 12.698 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.025 -1.675 8.932 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.969 1.208 10.846 1.00 0.00 H new ATOM 472 N GLN A 29 -0.617 -4.520 13.933 1.00 0.00 N ATOM 473 CA GLN A 29 0.688 -3.882 13.943 1.00 0.00 C ATOM 474 C GLN A 29 0.984 -3.256 12.579 1.00 0.00 C ATOM 475 O GLN A 29 0.802 -3.898 11.545 1.00 0.00 O ATOM 476 CB GLN A 29 1.782 -4.876 14.340 1.00 0.00 C ATOM 477 CG GLN A 29 2.298 -4.589 15.751 1.00 0.00 C ATOM 478 CD GLN A 29 2.767 -5.875 16.436 1.00 0.00 C ATOM 479 OE1 GLN A 29 1.985 -6.646 16.967 1.00 0.00 O ATOM 480 NE2 GLN A 29 4.083 -6.062 16.392 1.00 0.00 N ATOM 0 H GLN A 29 -0.595 -5.534 13.827 1.00 0.00 H new ATOM 0 HA GLN A 29 0.676 -3.088 14.690 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.390 -5.892 14.292 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.606 -4.818 13.629 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.122 -3.877 15.703 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.509 -4.124 16.343 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.680 -5.376 15.931 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.495 -6.892 16.819 1.00 0.00 H new ATOM 489 N THR A 30 1.436 -2.012 12.620 1.00 0.00 N ATOM 490 CA THR A 30 1.759 -1.292 11.399 1.00 0.00 C ATOM 491 C THR A 30 3.202 -0.786 11.445 1.00 0.00 C ATOM 492 O THR A 30 3.774 -0.626 12.522 1.00 0.00 O ATOM 493 CB THR A 30 0.729 -0.176 11.221 1.00 0.00 C ATOM 494 OG1 THR A 30 0.684 0.462 12.495 1.00 0.00 O ATOM 495 CG2 THR A 30 -0.690 -0.714 11.024 1.00 0.00 C ATOM 0 H THR A 30 1.587 -1.483 13.479 1.00 0.00 H new ATOM 0 HA THR A 30 1.704 -1.945 10.528 1.00 0.00 H new ATOM 0 HB THR A 30 1.006 0.440 10.365 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.041 1.201 12.468 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.382 0.120 10.903 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.720 -1.343 10.134 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.980 -1.302 11.895 1.00 0.00 H new ATOM 503 N PHE A 31 3.750 -0.548 10.262 1.00 0.00 N ATOM 504 CA PHE A 31 5.115 -0.064 10.153 1.00 0.00 C ATOM 505 C PHE A 31 5.272 0.867 8.949 1.00 0.00 C ATOM 506 O PHE A 31 4.539 0.749 7.968 1.00 0.00 O ATOM 507 CB PHE A 31 6.011 -1.288 9.956 1.00 0.00 C ATOM 508 CG PHE A 31 7.283 -1.272 10.806 1.00 0.00 C ATOM 509 CD1 PHE A 31 8.311 -0.446 10.475 1.00 0.00 C ATOM 510 CD2 PHE A 31 7.386 -2.085 11.891 1.00 0.00 C ATOM 511 CE1 PHE A 31 9.492 -0.431 11.264 1.00 0.00 C ATOM 512 CE2 PHE A 31 8.567 -2.070 12.680 1.00 0.00 C ATOM 513 CZ PHE A 31 9.595 -1.243 12.350 1.00 0.00 C ATOM 0 H PHE A 31 3.273 -0.682 9.371 1.00 0.00 H new ATOM 0 HA PHE A 31 5.383 0.496 11.049 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.440 -2.186 10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.290 -1.356 8.904 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.230 0.199 9.612 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.570 -2.742 12.153 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.308 0.225 11.001 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.649 -2.715 13.542 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.493 -1.231 12.950 1.00 0.00 H new ATOM 523 N GLN A 32 6.233 1.772 9.062 1.00 0.00 N ATOM 524 CA GLN A 32 6.496 2.723 7.995 1.00 0.00 C ATOM 525 C GLN A 32 7.879 2.473 7.390 1.00 0.00 C ATOM 526 O GLN A 32 8.808 2.085 8.097 1.00 0.00 O ATOM 527 CB GLN A 32 6.369 4.162 8.499 1.00 0.00 C ATOM 528 CG GLN A 32 7.285 5.101 7.711 1.00 0.00 C ATOM 529 CD GLN A 32 6.813 6.552 7.827 1.00 0.00 C ATOM 530 OE1 GLN A 32 5.870 6.978 7.181 1.00 0.00 O ATOM 531 NE2 GLN A 32 7.519 7.284 8.684 1.00 0.00 N ATOM 0 H GLN A 32 6.839 1.867 9.877 1.00 0.00 H new ATOM 0 HA GLN A 32 5.749 2.580 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.335 4.494 8.406 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.623 4.204 9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.306 5.016 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.302 4.803 6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.297 6.864 9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.282 8.265 8.832 1.00 0.00 H new ATOM 540 N ALA A 33 7.972 2.706 6.089 1.00 0.00 N ATOM 541 CA ALA A 33 9.226 2.512 5.382 1.00 0.00 C ATOM 542 C ALA A 33 9.460 3.689 4.434 1.00 0.00 C ATOM 543 O ALA A 33 8.554 4.485 4.191 1.00 0.00 O ATOM 544 CB ALA A 33 9.196 1.170 4.648 1.00 0.00 C ATOM 0 H ALA A 33 7.199 3.027 5.506 1.00 0.00 H new ATOM 0 HA ALA A 33 10.060 2.482 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.137 1.024 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.057 0.364 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.372 1.164 3.934 1.00 0.00 H new ATOM 550 N ALA A 34 10.681 3.764 3.923 1.00 0.00 N ATOM 551 CA ALA A 34 11.045 4.831 3.007 1.00 0.00 C ATOM 552 C ALA A 34 11.803 4.239 1.818 1.00 0.00 C ATOM 553 O ALA A 34 12.878 4.720 1.461 1.00 0.00 O ATOM 554 CB ALA A 34 11.863 5.887 3.753 1.00 0.00 C ATOM 0 H ALA A 34 11.430 3.103 4.126 1.00 0.00 H new ATOM 0 HA ALA A 34 10.154 5.324 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.136 6.688 3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.269 6.297 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.767 5.430 4.155 1.00 0.00 H new ATOM 560 N ASN A 35 11.214 3.205 1.236 1.00 0.00 N ATOM 561 CA ASN A 35 11.820 2.543 0.094 1.00 0.00 C ATOM 562 C ASN A 35 11.147 1.186 -0.120 1.00 0.00 C ATOM 563 O ASN A 35 10.215 0.830 0.600 1.00 0.00 O ATOM 564 CB ASN A 35 13.312 2.298 0.327 1.00 0.00 C ATOM 565 CG ASN A 35 14.161 3.331 -0.417 1.00 0.00 C ATOM 566 OD1 ASN A 35 13.881 3.707 -1.543 1.00 0.00 O ATOM 567 ND2 ASN A 35 15.210 3.768 0.274 1.00 0.00 N ATOM 0 H ASN A 35 10.323 2.809 1.534 1.00 0.00 H new ATOM 0 HA ASN A 35 11.691 3.187 -0.776 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.529 2.344 1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.576 1.295 -0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.838 4.460 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.387 3.411 1.213 1.00 0.00 H new ATOM 574 N GLY A 36 11.644 0.465 -1.115 1.00 0.00 N ATOM 575 CA GLY A 36 11.101 -0.845 -1.433 1.00 0.00 C ATOM 576 C GLY A 36 11.764 -1.933 -0.586 1.00 0.00 C ATOM 577 O GLY A 36 11.082 -2.784 -0.017 1.00 0.00 O ATOM 0 H GLY A 36 12.416 0.763 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.025 -0.849 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.254 -1.059 -2.491 1.00 0.00 H new ATOM 581 N LEU A 37 13.086 -1.871 -0.529 1.00 0.00 N ATOM 582 CA LEU A 37 13.849 -2.841 0.239 1.00 0.00 C ATOM 583 C LEU A 37 13.393 -2.801 1.699 1.00 0.00 C ATOM 584 O LEU A 37 12.990 -3.821 2.255 1.00 0.00 O ATOM 585 CB LEU A 37 15.350 -2.607 0.057 1.00 0.00 C ATOM 586 CG LEU A 37 16.172 -3.826 -0.367 1.00 0.00 C ATOM 587 CD1 LEU A 37 17.571 -3.411 -0.827 1.00 0.00 C ATOM 588 CD2 LEU A 37 16.222 -4.869 0.750 1.00 0.00 C ATOM 0 H LEU A 37 13.649 -1.164 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 37 13.660 -3.850 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.488 -1.824 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.755 -2.229 0.996 1.00 0.00 H new ATOM 0 HG LEU A 37 15.678 -4.291 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.134 -4.296 -1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.488 -2.733 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.088 -2.908 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 37 16.812 -5.725 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.680 -4.431 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.210 -5.196 0.988 1.00 0.00 H new ATOM 600 N GLN A 38 13.472 -1.612 2.278 1.00 0.00 N ATOM 601 CA GLN A 38 13.073 -1.426 3.662 1.00 0.00 C ATOM 602 C GLN A 38 11.672 -1.998 3.892 1.00 0.00 C ATOM 603 O GLN A 38 11.372 -2.497 4.976 1.00 0.00 O ATOM 604 CB GLN A 38 13.133 0.051 4.057 1.00 0.00 C ATOM 605 CG GLN A 38 14.445 0.374 4.774 1.00 0.00 C ATOM 606 CD GLN A 38 14.813 1.850 4.608 1.00 0.00 C ATOM 607 OE1 GLN A 38 15.074 2.332 3.518 1.00 0.00 O ATOM 608 NE2 GLN A 38 14.818 2.538 5.746 1.00 0.00 N ATOM 0 H GLN A 38 13.807 -0.768 1.813 1.00 0.00 H new ATOM 0 HA GLN A 38 13.775 -1.967 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.038 0.673 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.291 0.292 4.706 1.00 0.00 H new ATOM 0 HG2 GLN A 38 14.352 0.136 5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.244 -0.251 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.590 2.072 6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.050 3.531 5.740 1.00 0.00 H new ATOM 617 N ALA A 39 10.853 -1.906 2.855 1.00 0.00 N ATOM 618 CA ALA A 39 9.491 -2.408 2.930 1.00 0.00 C ATOM 619 C ALA A 39 9.492 -3.913 2.655 1.00 0.00 C ATOM 620 O ALA A 39 8.671 -4.648 3.202 1.00 0.00 O ATOM 621 CB ALA A 39 8.607 -1.636 1.949 1.00 0.00 C ATOM 0 H ALA A 39 11.106 -1.491 1.958 1.00 0.00 H new ATOM 0 HA ALA A 39 9.080 -2.255 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.586 -2.013 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.618 -0.577 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.987 -1.768 0.936 1.00 0.00 H new ATOM 627 N LEU A 40 10.422 -4.327 1.807 1.00 0.00 N ATOM 628 CA LEU A 40 10.539 -5.731 1.452 1.00 0.00 C ATOM 629 C LEU A 40 11.011 -6.524 2.673 1.00 0.00 C ATOM 630 O LEU A 40 10.497 -7.606 2.951 1.00 0.00 O ATOM 631 CB LEU A 40 11.438 -5.901 0.225 1.00 0.00 C ATOM 632 CG LEU A 40 10.797 -5.575 -1.126 1.00 0.00 C ATOM 633 CD1 LEU A 40 10.984 -6.728 -2.113 1.00 0.00 C ATOM 634 CD2 LEU A 40 9.324 -5.197 -0.957 1.00 0.00 C ATOM 0 H LEU A 40 11.101 -3.715 1.355 1.00 0.00 H new ATOM 0 HA LEU A 40 9.567 -6.133 1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.315 -5.267 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.791 -6.932 0.198 1.00 0.00 H new ATOM 0 HG LEU A 40 11.305 -4.707 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.519 -6.471 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.048 -6.908 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.518 -7.628 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.892 -4.970 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.784 -6.030 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.245 -4.322 -0.312 1.00 0.00 H new ATOM 646 N ASP A 41 11.983 -5.954 3.369 1.00 0.00 N ATOM 647 CA ASP A 41 12.529 -6.593 4.554 1.00 0.00 C ATOM 648 C ASP A 41 11.453 -6.649 5.640 1.00 0.00 C ATOM 649 O ASP A 41 11.216 -7.701 6.231 1.00 0.00 O ATOM 650 CB ASP A 41 13.719 -5.805 5.107 1.00 0.00 C ATOM 651 CG ASP A 41 15.079 -6.483 4.934 1.00 0.00 C ATOM 652 OD1 ASP A 41 15.144 -7.426 4.116 1.00 0.00 O ATOM 653 OD2 ASP A 41 16.024 -6.042 5.625 1.00 0.00 O ATOM 0 H ASP A 41 12.407 -5.056 3.135 1.00 0.00 H new ATOM 0 HA ASP A 41 12.858 -7.594 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.750 -4.832 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.553 -5.623 6.169 1.00 0.00 H new ATOM 658 N ILE A 42 10.831 -5.502 5.871 1.00 0.00 N ATOM 659 CA ILE A 42 9.785 -5.407 6.876 1.00 0.00 C ATOM 660 C ILE A 42 8.539 -6.144 6.381 1.00 0.00 C ATOM 661 O ILE A 42 7.697 -6.552 7.179 1.00 0.00 O ATOM 662 CB ILE A 42 9.528 -3.944 7.244 1.00 0.00 C ATOM 663 CG1 ILE A 42 10.756 -3.323 7.913 1.00 0.00 C ATOM 664 CG2 ILE A 42 8.274 -3.810 8.111 1.00 0.00 C ATOM 665 CD1 ILE A 42 10.345 -2.343 9.013 1.00 0.00 C ATOM 0 H ILE A 42 11.031 -4.631 5.380 1.00 0.00 H new ATOM 0 HA ILE A 42 10.098 -5.895 7.799 1.00 0.00 H new ATOM 0 HB ILE A 42 9.346 -3.387 6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.380 -4.110 8.337 1.00 0.00 H new ATOM 0 HG13 ILE A 42 11.358 -2.805 7.166 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.113 -2.761 8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.411 -4.190 7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.403 -4.384 9.029 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.237 -1.916 9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.741 -1.544 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.764 -2.869 9.770 1.00 0.00 H new ATOM 677 N VAL A 43 8.462 -6.294 5.066 1.00 0.00 N ATOM 678 CA VAL A 43 7.334 -6.975 4.456 1.00 0.00 C ATOM 679 C VAL A 43 7.213 -8.382 5.045 1.00 0.00 C ATOM 680 O VAL A 43 6.109 -8.855 5.311 1.00 0.00 O ATOM 681 CB VAL A 43 7.484 -6.976 2.933 1.00 0.00 C ATOM 682 CG1 VAL A 43 7.158 -8.352 2.350 1.00 0.00 C ATOM 683 CG2 VAL A 43 6.614 -5.890 2.296 1.00 0.00 C ATOM 0 H VAL A 43 9.163 -5.955 4.407 1.00 0.00 H new ATOM 0 HA VAL A 43 6.406 -6.449 4.678 1.00 0.00 H new ATOM 0 HB VAL A 43 8.525 -6.752 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.273 -8.324 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.838 -9.095 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.131 -8.619 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.739 -5.912 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.568 -6.070 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.915 -4.914 2.676 1.00 0.00 H new ATOM 693 N THR A 44 8.364 -9.011 5.232 1.00 0.00 N ATOM 694 CA THR A 44 8.401 -10.355 5.785 1.00 0.00 C ATOM 695 C THR A 44 8.502 -10.301 7.310 1.00 0.00 C ATOM 696 O THR A 44 7.948 -11.153 8.003 1.00 0.00 O ATOM 697 CB THR A 44 9.559 -11.105 5.125 1.00 0.00 C ATOM 698 OG1 THR A 44 9.329 -10.941 3.729 1.00 0.00 O ATOM 699 CG2 THR A 44 9.475 -12.618 5.341 1.00 0.00 C ATOM 0 H THR A 44 9.278 -8.615 5.011 1.00 0.00 H new ATOM 0 HA THR A 44 7.480 -10.897 5.571 1.00 0.00 H new ATOM 0 HB THR A 44 10.504 -10.733 5.521 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.036 -11.396 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.320 -13.103 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.500 -12.835 6.409 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.545 -12.995 4.916 1.00 0.00 H new ATOM 707 N LYS A 45 9.213 -9.290 7.789 1.00 0.00 N ATOM 708 CA LYS A 45 9.394 -9.114 9.220 1.00 0.00 C ATOM 709 C LYS A 45 8.039 -8.821 9.869 1.00 0.00 C ATOM 710 O LYS A 45 7.773 -9.264 10.985 1.00 0.00 O ATOM 711 CB LYS A 45 10.453 -8.046 9.499 1.00 0.00 C ATOM 712 CG LYS A 45 11.563 -8.596 10.398 1.00 0.00 C ATOM 713 CD LYS A 45 11.789 -7.687 11.608 1.00 0.00 C ATOM 714 CE LYS A 45 12.682 -8.368 12.646 1.00 0.00 C ATOM 715 NZ LYS A 45 14.097 -8.336 12.213 1.00 0.00 N ATOM 0 H LYS A 45 9.670 -8.585 7.211 1.00 0.00 H new ATOM 0 HA LYS A 45 9.773 -10.031 9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.881 -7.698 8.559 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.988 -7.183 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.299 -9.598 10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.488 -8.685 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.248 -6.753 11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.830 -7.431 12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.579 -7.867 13.608 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.362 -9.400 12.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.690 -8.802 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.194 -8.834 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.403 -7.349 12.100 1.00 0.00 H new ATOM 729 N GLU A 46 7.220 -8.076 9.141 1.00 0.00 N ATOM 730 CA GLU A 46 5.900 -7.718 9.632 1.00 0.00 C ATOM 731 C GLU A 46 4.829 -8.566 8.941 1.00 0.00 C ATOM 732 O GLU A 46 3.656 -8.508 9.305 1.00 0.00 O ATOM 733 CB GLU A 46 5.628 -6.225 9.435 1.00 0.00 C ATOM 734 CG GLU A 46 6.197 -5.407 10.597 1.00 0.00 C ATOM 735 CD GLU A 46 5.252 -5.433 11.800 1.00 0.00 C ATOM 736 OE1 GLU A 46 4.688 -6.519 12.056 1.00 0.00 O ATOM 737 OE2 GLU A 46 5.115 -4.366 12.437 1.00 0.00 O ATOM 0 H GLU A 46 7.445 -7.711 8.216 1.00 0.00 H new ATOM 0 HA GLU A 46 5.864 -7.922 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.073 -5.891 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.554 -6.054 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.170 -5.806 10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.357 -4.377 10.278 1.00 0.00 H new ATOM 744 N ARG A 47 5.272 -9.334 7.956 1.00 0.00 N ATOM 745 CA ARG A 47 4.367 -10.192 7.211 1.00 0.00 C ATOM 746 C ARG A 47 2.945 -9.629 7.255 1.00 0.00 C ATOM 747 O ARG A 47 2.025 -10.293 7.729 1.00 0.00 O ATOM 748 CB ARG A 47 4.363 -11.613 7.779 1.00 0.00 C ATOM 749 CG ARG A 47 3.928 -11.616 9.246 1.00 0.00 C ATOM 750 CD ARG A 47 2.868 -12.689 9.501 1.00 0.00 C ATOM 751 NE ARG A 47 3.408 -14.025 9.162 1.00 0.00 N ATOM 752 CZ ARG A 47 2.649 -15.085 8.851 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.314 -14.972 8.835 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.226 -16.258 8.557 1.00 0.00 N ATOM 0 H ARG A 47 6.246 -9.380 7.657 1.00 0.00 H new ATOM 0 HA ARG A 47 4.716 -10.226 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.689 -12.240 7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.359 -12.047 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.793 -11.795 9.885 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.531 -10.637 9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.560 -12.667 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.980 -12.484 8.903 1.00 0.00 H new ATOM 0 HE ARG A 47 4.421 -14.146 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.875 -14.079 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.737 -15.779 8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.242 -16.344 8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.649 -17.065 8.320 1.00 0.00 H new ATOM 768 N PRO A 48 2.806 -8.377 6.742 1.00 0.00 N ATOM 769 CA PRO A 48 1.512 -7.717 6.719 1.00 0.00 C ATOM 770 C PRO A 48 0.618 -8.302 5.624 1.00 0.00 C ATOM 771 O PRO A 48 1.104 -8.691 4.563 1.00 0.00 O ATOM 772 CB PRO A 48 1.825 -6.245 6.506 1.00 0.00 C ATOM 773 CG PRO A 48 3.241 -6.195 5.956 1.00 0.00 C ATOM 774 CD PRO A 48 3.874 -7.560 6.173 1.00 0.00 C ATOM 0 HA PRO A 48 0.950 -7.862 7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.119 -5.793 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.750 -5.690 7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.230 -5.944 4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.820 -5.421 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.238 -7.981 5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.728 -7.498 6.848 1.00 0.00 H new ATOM 782 N ASP A 49 -0.673 -8.346 5.919 1.00 0.00 N ATOM 783 CA ASP A 49 -1.639 -8.877 4.972 1.00 0.00 C ATOM 784 C ASP A 49 -1.874 -7.853 3.860 1.00 0.00 C ATOM 785 O ASP A 49 -2.589 -8.128 2.899 1.00 0.00 O ATOM 786 CB ASP A 49 -2.982 -9.152 5.652 1.00 0.00 C ATOM 787 CG ASP A 49 -3.356 -10.631 5.771 1.00 0.00 C ATOM 788 OD1 ASP A 49 -2.447 -11.421 6.105 1.00 0.00 O ATOM 789 OD2 ASP A 49 -4.542 -10.938 5.524 1.00 0.00 O ATOM 0 H ASP A 49 -1.073 -8.023 6.800 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.240 -9.808 4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.962 -8.716 6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.766 -8.638 5.096 1.00 0.00 H new ATOM 794 N LEU A 50 -1.257 -6.692 4.029 1.00 0.00 N ATOM 795 CA LEU A 50 -1.389 -5.626 3.051 1.00 0.00 C ATOM 796 C LEU A 50 -0.246 -4.626 3.235 1.00 0.00 C ATOM 797 O LEU A 50 0.239 -4.430 4.349 1.00 0.00 O ATOM 798 CB LEU A 50 -2.779 -4.992 3.134 1.00 0.00 C ATOM 799 CG LEU A 50 -3.448 -4.664 1.797 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.940 -5.936 1.104 1.00 0.00 C ATOM 801 CD2 LEU A 50 -4.571 -3.642 1.982 1.00 0.00 C ATOM 0 H LEU A 50 -0.665 -6.467 4.828 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.305 -6.025 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.432 -5.666 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.703 -4.073 3.715 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.703 -4.209 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.411 -5.675 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.095 -6.599 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.665 -6.441 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.030 -3.427 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.323 -4.047 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.161 -2.723 2.402 1.00 0.00 H new ATOM 813 N VAL A 51 0.152 -4.020 2.126 1.00 0.00 N ATOM 814 CA VAL A 51 1.230 -3.045 2.152 1.00 0.00 C ATOM 815 C VAL A 51 0.837 -1.835 1.301 1.00 0.00 C ATOM 816 O VAL A 51 0.151 -1.979 0.291 1.00 0.00 O ATOM 817 CB VAL A 51 2.536 -3.697 1.696 1.00 0.00 C ATOM 818 CG1 VAL A 51 3.697 -2.702 1.757 1.00 0.00 C ATOM 819 CG2 VAL A 51 2.843 -4.948 2.523 1.00 0.00 C ATOM 0 H VAL A 51 -0.252 -4.185 1.204 1.00 0.00 H new ATOM 0 HA VAL A 51 1.398 -2.688 3.168 1.00 0.00 H new ATOM 0 HB VAL A 51 2.412 -4.004 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.613 -3.192 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.484 -1.854 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.821 -2.350 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.777 -5.392 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.937 -4.675 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.034 -5.669 2.407 1.00 0.00 H new ATOM 829 N LEU A 52 1.290 -0.671 1.742 1.00 0.00 N ATOM 830 CA LEU A 52 0.994 0.563 1.034 1.00 0.00 C ATOM 831 C LEU A 52 2.305 1.236 0.621 1.00 0.00 C ATOM 832 O LEU A 52 3.117 1.596 1.472 1.00 0.00 O ATOM 833 CB LEU A 52 0.082 1.458 1.875 1.00 0.00 C ATOM 834 CG LEU A 52 -0.106 2.890 1.367 1.00 0.00 C ATOM 835 CD1 LEU A 52 -1.570 3.321 1.474 1.00 0.00 C ATOM 836 CD2 LEU A 52 0.831 3.857 2.094 1.00 0.00 C ATOM 0 H LEU A 52 1.860 -0.556 2.580 1.00 0.00 H new ATOM 0 HA LEU A 52 0.440 0.353 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.898 0.985 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.483 1.502 2.888 1.00 0.00 H new ATOM 0 HG LEU A 52 0.161 2.916 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.677 4.342 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.190 2.654 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.888 3.275 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.677 4.867 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.619 3.835 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.865 3.559 1.923 1.00 0.00 H new ATOM 848 N LEU A 53 2.472 1.384 -0.685 1.00 0.00 N ATOM 849 CA LEU A 53 3.670 2.007 -1.221 1.00 0.00 C ATOM 850 C LEU A 53 3.273 3.056 -2.261 1.00 0.00 C ATOM 851 O LEU A 53 2.405 2.810 -3.097 1.00 0.00 O ATOM 852 CB LEU A 53 4.633 0.945 -1.756 1.00 0.00 C ATOM 853 CG LEU A 53 5.971 1.460 -2.288 1.00 0.00 C ATOM 854 CD1 LEU A 53 5.793 2.156 -3.639 1.00 0.00 C ATOM 855 CD2 LEU A 53 6.657 2.365 -1.264 1.00 0.00 C ATOM 0 H LEU A 53 1.797 1.083 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 53 4.213 2.529 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.833 0.230 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.133 0.399 -2.556 1.00 0.00 H new ATOM 0 HG LEU A 53 6.626 0.604 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.760 2.513 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.379 1.451 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.114 3.001 -3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.606 2.717 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.016 3.219 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.839 1.805 -0.347 1.00 0.00 H new ATOM 867 N ASP A 54 3.927 4.205 -2.175 1.00 0.00 N ATOM 868 CA ASP A 54 3.653 5.293 -3.099 1.00 0.00 C ATOM 869 C ASP A 54 4.743 5.332 -4.172 1.00 0.00 C ATOM 870 O ASP A 54 5.928 5.219 -3.862 1.00 0.00 O ATOM 871 CB ASP A 54 3.653 6.642 -2.376 1.00 0.00 C ATOM 872 CG ASP A 54 4.577 7.700 -2.981 1.00 0.00 C ATOM 873 OD1 ASP A 54 5.800 7.441 -3.001 1.00 0.00 O ATOM 874 OD2 ASP A 54 4.041 8.744 -3.410 1.00 0.00 O ATOM 0 H ASP A 54 4.646 4.406 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 54 2.672 5.121 -3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.635 7.032 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.942 6.480 -1.337 1.00 0.00 H new ATOM 879 N MET A 55 4.303 5.493 -5.411 1.00 0.00 N ATOM 880 CA MET A 55 5.226 5.548 -6.532 1.00 0.00 C ATOM 881 C MET A 55 6.222 6.697 -6.366 1.00 0.00 C ATOM 882 O MET A 55 7.411 6.467 -6.150 1.00 0.00 O ATOM 883 CB MET A 55 4.441 5.736 -7.831 1.00 0.00 C ATOM 884 CG MET A 55 3.310 4.712 -7.942 1.00 0.00 C ATOM 885 SD MET A 55 3.917 3.085 -7.530 1.00 0.00 S ATOM 886 CE MET A 55 3.453 3.008 -5.808 1.00 0.00 C ATOM 0 H MET A 55 3.319 5.587 -5.664 1.00 0.00 H new ATOM 0 HA MET A 55 5.783 4.612 -6.566 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.028 6.744 -7.868 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.113 5.635 -8.684 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.494 4.985 -7.273 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.906 4.713 -8.954 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.305 1.968 -5.517 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.243 3.446 -5.198 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.527 3.563 -5.655 1.00 0.00 H new ATOM 896 N LYS A 56 5.700 7.911 -6.472 1.00 0.00 N ATOM 897 CA LYS A 56 6.528 9.096 -6.336 1.00 0.00 C ATOM 898 C LYS A 56 7.463 8.926 -5.137 1.00 0.00 C ATOM 899 O LYS A 56 7.071 9.182 -3.999 1.00 0.00 O ATOM 900 CB LYS A 56 5.658 10.353 -6.264 1.00 0.00 C ATOM 901 CG LYS A 56 6.244 11.475 -7.123 1.00 0.00 C ATOM 902 CD LYS A 56 5.134 12.325 -7.746 1.00 0.00 C ATOM 903 CE LYS A 56 5.718 13.414 -8.648 1.00 0.00 C ATOM 904 NZ LYS A 56 4.823 14.592 -8.685 1.00 0.00 N ATOM 0 H LYS A 56 4.713 8.098 -6.651 1.00 0.00 H new ATOM 0 HA LYS A 56 7.158 9.222 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.648 10.121 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.579 10.686 -5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.891 12.105 -6.513 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.866 11.048 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.465 11.688 -8.325 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.536 12.783 -6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.702 13.709 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.857 13.024 -9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.234 15.321 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.893 14.310 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.712 14.974 -7.724 1.00 0.00 H new ATOM 918 N ILE A 57 8.680 8.494 -5.432 1.00 0.00 N ATOM 919 CA ILE A 57 9.673 8.287 -4.392 1.00 0.00 C ATOM 920 C ILE A 57 10.914 9.125 -4.703 1.00 0.00 C ATOM 921 O ILE A 57 11.549 8.940 -5.740 1.00 0.00 O ATOM 922 CB ILE A 57 9.966 6.795 -4.221 1.00 0.00 C ATOM 923 CG1 ILE A 57 8.726 6.045 -3.732 1.00 0.00 C ATOM 924 CG2 ILE A 57 11.169 6.574 -3.303 1.00 0.00 C ATOM 925 CD1 ILE A 57 8.633 4.659 -4.374 1.00 0.00 C ATOM 0 H ILE A 57 9.001 8.282 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 57 9.292 8.627 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 57 10.226 6.384 -5.197 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.762 5.945 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.831 6.620 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.355 5.505 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.048 7.055 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.963 7.004 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.742 4.148 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.573 4.763 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.517 4.077 -4.114 1.00 0.00 H new ATOM 937 N PRO A 58 11.231 10.054 -3.762 1.00 0.00 N ATOM 938 CA PRO A 58 12.385 10.922 -3.925 1.00 0.00 C ATOM 939 C PRO A 58 13.685 10.161 -3.661 1.00 0.00 C ATOM 940 O PRO A 58 13.797 9.439 -2.671 1.00 0.00 O ATOM 941 CB PRO A 58 12.158 12.066 -2.950 1.00 0.00 C ATOM 942 CG PRO A 58 11.128 11.564 -1.951 1.00 0.00 C ATOM 943 CD PRO A 58 10.502 10.302 -2.521 1.00 0.00 C ATOM 0 HA PRO A 58 12.488 11.298 -4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.086 12.342 -2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.799 12.955 -3.468 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.598 11.356 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.365 12.323 -1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.600 9.465 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.437 10.438 -2.708 1.00 0.00 H new ATOM 951 N GLY A 59 14.637 10.347 -4.564 1.00 0.00 N ATOM 952 CA GLY A 59 15.925 9.687 -4.441 1.00 0.00 C ATOM 953 C GLY A 59 15.904 8.314 -5.116 1.00 0.00 C ATOM 954 O GLY A 59 16.947 7.683 -5.279 1.00 0.00 O ATOM 0 H GLY A 59 14.541 10.946 -5.384 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.700 10.307 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.181 9.574 -3.387 1.00 0.00 H new ATOM 958 N MET A 60 14.705 7.893 -5.491 1.00 0.00 N ATOM 959 CA MET A 60 14.535 6.606 -6.145 1.00 0.00 C ATOM 960 C MET A 60 13.052 6.261 -6.297 1.00 0.00 C ATOM 961 O MET A 60 12.452 5.676 -5.397 1.00 0.00 O ATOM 962 CB MET A 60 15.231 5.520 -5.322 1.00 0.00 C ATOM 963 CG MET A 60 16.143 4.665 -6.204 1.00 0.00 C ATOM 964 SD MET A 60 16.216 2.997 -5.572 1.00 0.00 S ATOM 965 CE MET A 60 14.499 2.532 -5.726 1.00 0.00 C ATOM 0 H MET A 60 13.842 8.420 -5.355 1.00 0.00 H new ATOM 0 HA MET A 60 14.979 6.662 -7.139 1.00 0.00 H new ATOM 0 HB2 MET A 60 15.816 5.981 -4.526 1.00 0.00 H new ATOM 0 HB3 MET A 60 14.484 4.887 -4.843 1.00 0.00 H new ATOM 0 HG2 MET A 60 15.770 4.658 -7.228 1.00 0.00 H new ATOM 0 HG3 MET A 60 17.144 5.096 -6.232 1.00 0.00 H new ATOM 0 HE1 MET A 60 14.431 1.495 -6.055 1.00 0.00 H new ATOM 0 HE2 MET A 60 14.005 2.639 -4.760 1.00 0.00 H new ATOM 0 HE3 MET A 60 14.011 3.177 -6.457 1.00 0.00 H new ATOM 975 N ASP A 61 12.505 6.638 -7.443 1.00 0.00 N ATOM 976 CA ASP A 61 11.104 6.375 -7.725 1.00 0.00 C ATOM 977 C ASP A 61 10.784 4.918 -7.387 1.00 0.00 C ATOM 978 O ASP A 61 11.687 4.128 -7.113 1.00 0.00 O ATOM 979 CB ASP A 61 10.789 6.596 -9.206 1.00 0.00 C ATOM 980 CG ASP A 61 11.999 6.535 -10.141 1.00 0.00 C ATOM 981 OD1 ASP A 61 12.539 5.418 -10.297 1.00 0.00 O ATOM 982 OD2 ASP A 61 12.356 7.606 -10.677 1.00 0.00 O ATOM 0 H ASP A 61 13.006 7.123 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 61 10.506 7.058 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.065 5.846 -9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.310 7.569 -9.319 1.00 0.00 H new ATOM 987 N GLY A 62 9.497 4.605 -7.417 1.00 0.00 N ATOM 988 CA GLY A 62 9.047 3.256 -7.117 1.00 0.00 C ATOM 989 C GLY A 62 8.800 2.462 -8.401 1.00 0.00 C ATOM 990 O GLY A 62 8.562 1.256 -8.354 1.00 0.00 O ATOM 0 H GLY A 62 8.751 5.263 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.794 2.747 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.130 3.297 -6.529 1.00 0.00 H new ATOM 994 N ILE A 63 8.864 3.171 -9.519 1.00 0.00 N ATOM 995 CA ILE A 63 8.649 2.548 -10.814 1.00 0.00 C ATOM 996 C ILE A 63 9.438 1.238 -10.882 1.00 0.00 C ATOM 997 O ILE A 63 8.969 0.256 -11.455 1.00 0.00 O ATOM 998 CB ILE A 63 8.984 3.526 -11.942 1.00 0.00 C ATOM 999 CG1 ILE A 63 8.221 4.842 -11.770 1.00 0.00 C ATOM 1000 CG2 ILE A 63 8.731 2.892 -13.311 1.00 0.00 C ATOM 1001 CD1 ILE A 63 9.162 6.041 -11.898 1.00 0.00 C ATOM 0 H ILE A 63 9.062 4.171 -9.554 1.00 0.00 H new ATOM 0 HA ILE A 63 7.597 2.295 -10.945 1.00 0.00 H new ATOM 0 HB ILE A 63 10.047 3.760 -11.887 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.434 4.911 -12.521 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.734 4.860 -10.795 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.977 3.608 -14.095 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.354 2.005 -13.422 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.681 2.611 -13.393 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.595 6.963 -11.772 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.934 5.981 -11.130 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.629 6.034 -12.883 1.00 0.00 H new ATOM 1013 N GLU A 64 10.622 1.267 -10.288 1.00 0.00 N ATOM 1014 CA GLU A 64 11.481 0.095 -10.274 1.00 0.00 C ATOM 1015 C GLU A 64 11.144 -0.795 -9.076 1.00 0.00 C ATOM 1016 O GLU A 64 10.921 -1.994 -9.232 1.00 0.00 O ATOM 1017 CB GLU A 64 12.957 0.496 -10.262 1.00 0.00 C ATOM 1018 CG GLU A 64 13.278 1.443 -11.421 1.00 0.00 C ATOM 1019 CD GLU A 64 13.372 0.678 -12.743 1.00 0.00 C ATOM 1020 OE1 GLU A 64 14.489 0.207 -13.047 1.00 0.00 O ATOM 1021 OE2 GLU A 64 12.325 0.583 -13.419 1.00 0.00 O ATOM 0 H GLU A 64 11.007 2.084 -9.813 1.00 0.00 H new ATOM 0 HA GLU A 64 11.302 -0.474 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.198 0.979 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.580 -0.395 -10.333 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.506 2.209 -11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.219 1.957 -11.226 1.00 0.00 H new ATOM 1028 N ILE A 65 11.119 -0.173 -7.906 1.00 0.00 N ATOM 1029 CA ILE A 65 10.814 -0.893 -6.682 1.00 0.00 C ATOM 1030 C ILE A 65 9.586 -1.777 -6.908 1.00 0.00 C ATOM 1031 O ILE A 65 9.673 -3.001 -6.825 1.00 0.00 O ATOM 1032 CB ILE A 65 10.665 0.080 -5.511 1.00 0.00 C ATOM 1033 CG1 ILE A 65 12.029 0.594 -5.048 1.00 0.00 C ATOM 1034 CG2 ILE A 65 9.874 -0.557 -4.366 1.00 0.00 C ATOM 1035 CD1 ILE A 65 12.920 -0.559 -4.581 1.00 0.00 C ATOM 0 H ILE A 65 11.305 0.822 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 65 11.638 -1.554 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 65 10.095 0.943 -5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 65 12.517 1.128 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 65 11.896 1.308 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.783 0.156 -3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.881 -0.833 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.395 -1.448 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.884 -0.166 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.441 -1.075 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.071 -1.258 -5.403 1.00 0.00 H new ATOM 1047 N LEU A 66 8.469 -1.122 -7.189 1.00 0.00 N ATOM 1048 CA LEU A 66 7.224 -1.832 -7.427 1.00 0.00 C ATOM 1049 C LEU A 66 7.435 -2.862 -8.539 1.00 0.00 C ATOM 1050 O LEU A 66 6.790 -3.910 -8.549 1.00 0.00 O ATOM 1051 CB LEU A 66 6.089 -0.845 -7.710 1.00 0.00 C ATOM 1052 CG LEU A 66 5.636 0.013 -6.527 1.00 0.00 C ATOM 1053 CD1 LEU A 66 5.780 -0.751 -5.209 1.00 0.00 C ATOM 1054 CD2 LEU A 66 6.383 1.348 -6.501 1.00 0.00 C ATOM 0 H LEU A 66 8.400 -0.107 -7.257 1.00 0.00 H new ATOM 0 HA LEU A 66 6.922 -2.381 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.404 -0.181 -8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.229 -1.406 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 66 4.577 0.239 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.451 -0.119 -4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.167 -1.652 -5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.824 -1.027 -5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.043 1.939 -5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.454 1.164 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.186 1.893 -7.424 1.00 0.00 H new ATOM 1066 N LYS A 67 8.339 -2.528 -9.447 1.00 0.00 N ATOM 1067 CA LYS A 67 8.643 -3.411 -10.561 1.00 0.00 C ATOM 1068 C LYS A 67 9.334 -4.670 -10.034 1.00 0.00 C ATOM 1069 O LYS A 67 8.792 -5.770 -10.137 1.00 0.00 O ATOM 1070 CB LYS A 67 9.448 -2.669 -11.629 1.00 0.00 C ATOM 1071 CG LYS A 67 8.609 -2.440 -12.888 1.00 0.00 C ATOM 1072 CD LYS A 67 9.502 -2.274 -14.119 1.00 0.00 C ATOM 1073 CE LYS A 67 9.000 -3.135 -15.280 1.00 0.00 C ATOM 1074 NZ LYS A 67 9.988 -3.147 -16.382 1.00 0.00 N ATOM 0 H LYS A 67 8.871 -1.658 -9.435 1.00 0.00 H new ATOM 0 HA LYS A 67 7.725 -3.733 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.787 -1.711 -11.234 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.340 -3.243 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.932 -3.281 -13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.990 -1.552 -12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.521 -1.227 -14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.526 -2.553 -13.870 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.820 -4.153 -14.934 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.047 -2.748 -15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.631 -3.736 -17.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.140 -2.176 -16.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.888 -3.537 -16.037 1.00 0.00 H new ATOM 1088 N ARG A 68 10.520 -4.467 -9.479 1.00 0.00 N ATOM 1089 CA ARG A 68 11.291 -5.573 -8.936 1.00 0.00 C ATOM 1090 C ARG A 68 10.479 -6.313 -7.871 1.00 0.00 C ATOM 1091 O ARG A 68 10.686 -7.504 -7.645 1.00 0.00 O ATOM 1092 CB ARG A 68 12.601 -5.079 -8.318 1.00 0.00 C ATOM 1093 CG ARG A 68 13.744 -5.140 -9.333 1.00 0.00 C ATOM 1094 CD ARG A 68 14.994 -4.443 -8.794 1.00 0.00 C ATOM 1095 NE ARG A 68 16.045 -4.412 -9.835 1.00 0.00 N ATOM 1096 CZ ARG A 68 17.328 -4.103 -9.599 1.00 0.00 C ATOM 1097 NH1 ARG A 68 17.726 -3.797 -8.357 1.00 0.00 N ATOM 1098 NH2 ARG A 68 18.212 -4.100 -10.606 1.00 0.00 N ATOM 0 H ARG A 68 10.966 -3.554 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 68 11.523 -6.251 -9.757 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.477 -4.055 -7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.849 -5.688 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.974 -6.180 -9.564 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.433 -4.668 -10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.749 -3.428 -8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.360 -4.967 -7.911 1.00 0.00 H new ATOM 0 HE ARG A 68 15.777 -4.640 -10.792 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.053 -3.799 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.702 -3.562 -8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.909 -4.333 -11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.188 -3.865 -10.427 1.00 0.00 H new ATOM 1112 N MET A 69 9.573 -5.576 -7.245 1.00 0.00 N ATOM 1113 CA MET A 69 8.729 -6.148 -6.210 1.00 0.00 C ATOM 1114 C MET A 69 7.809 -7.226 -6.785 1.00 0.00 C ATOM 1115 O MET A 69 7.730 -8.331 -6.251 1.00 0.00 O ATOM 1116 CB MET A 69 7.886 -5.043 -5.571 1.00 0.00 C ATOM 1117 CG MET A 69 8.383 -4.720 -4.160 1.00 0.00 C ATOM 1118 SD MET A 69 8.146 -2.985 -3.812 1.00 0.00 S ATOM 1119 CE MET A 69 6.565 -3.048 -2.986 1.00 0.00 C ATOM 0 H MET A 69 9.405 -4.588 -7.435 1.00 0.00 H new ATOM 0 HA MET A 69 9.370 -6.609 -5.458 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.927 -4.146 -6.189 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.842 -5.355 -5.530 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.844 -5.323 -3.429 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.438 -4.977 -4.070 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.206 -2.034 -2.809 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.849 -3.582 -3.611 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.673 -3.566 -2.033 1.00 0.00 H new ATOM 1129 N LYS A 70 7.134 -6.866 -7.868 1.00 0.00 N ATOM 1130 CA LYS A 70 6.222 -7.789 -8.522 1.00 0.00 C ATOM 1131 C LYS A 70 7.027 -8.802 -9.339 1.00 0.00 C ATOM 1132 O LYS A 70 6.706 -9.989 -9.351 1.00 0.00 O ATOM 1133 CB LYS A 70 5.183 -7.023 -9.344 1.00 0.00 C ATOM 1134 CG LYS A 70 5.709 -6.722 -10.749 1.00 0.00 C ATOM 1135 CD LYS A 70 5.695 -7.979 -11.620 1.00 0.00 C ATOM 1136 CE LYS A 70 4.966 -7.723 -12.941 1.00 0.00 C ATOM 1137 NZ LYS A 70 5.854 -8.015 -14.088 1.00 0.00 N ATOM 0 H LYS A 70 7.201 -5.948 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 70 5.656 -8.354 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.266 -7.608 -9.413 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.930 -6.091 -8.839 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.098 -5.948 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.724 -6.331 -10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.718 -8.298 -11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.207 -8.792 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.073 -8.346 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.634 -6.686 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.319 -7.918 -14.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.651 -7.346 -14.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.217 -8.986 -14.007 1.00 0.00 H new ATOM 1151 N VAL A 71 8.056 -8.295 -10.002 1.00 0.00 N ATOM 1152 CA VAL A 71 8.909 -9.141 -10.820 1.00 0.00 C ATOM 1153 C VAL A 71 9.559 -10.208 -9.936 1.00 0.00 C ATOM 1154 O VAL A 71 9.824 -11.319 -10.392 1.00 0.00 O ATOM 1155 CB VAL A 71 9.929 -8.285 -11.572 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.724 -9.129 -12.570 1.00 0.00 C ATOM 1157 CG2 VAL A 71 9.247 -7.107 -12.271 1.00 0.00 C ATOM 0 H VAL A 71 8.318 -7.309 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 71 8.320 -9.660 -11.577 1.00 0.00 H new ATOM 0 HB VAL A 71 10.630 -7.881 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.442 -8.496 -13.091 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.255 -9.918 -12.037 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.042 -9.575 -13.294 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.995 -6.514 -12.798 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.513 -7.482 -12.984 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.747 -6.484 -11.530 1.00 0.00 H new ATOM 1167 N ILE A 72 9.797 -9.832 -8.688 1.00 0.00 N ATOM 1168 CA ILE A 72 10.411 -10.743 -7.737 1.00 0.00 C ATOM 1169 C ILE A 72 9.430 -11.870 -7.410 1.00 0.00 C ATOM 1170 O ILE A 72 9.822 -13.032 -7.318 1.00 0.00 O ATOM 1171 CB ILE A 72 10.904 -9.980 -6.506 1.00 0.00 C ATOM 1172 CG1 ILE A 72 12.277 -9.355 -6.761 1.00 0.00 C ATOM 1173 CG2 ILE A 72 10.904 -10.878 -5.267 1.00 0.00 C ATOM 1174 CD1 ILE A 72 13.393 -10.381 -6.553 1.00 0.00 C ATOM 0 H ILE A 72 9.576 -8.909 -8.314 1.00 0.00 H new ATOM 0 HA ILE A 72 11.296 -11.207 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 72 10.210 -9.163 -6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.320 -8.966 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.426 -8.509 -6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 72 11.259 -10.311 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.892 -11.233 -5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.562 -11.731 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 72 14.359 -9.911 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.362 -10.750 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 72 13.255 -11.214 -7.242 1.00 0.00 H new ATOM 1186 N ASP A 73 8.173 -11.487 -7.242 1.00 0.00 N ATOM 1187 CA ASP A 73 7.132 -12.451 -6.927 1.00 0.00 C ATOM 1188 C ASP A 73 5.766 -11.846 -7.255 1.00 0.00 C ATOM 1189 O ASP A 73 5.626 -10.626 -7.334 1.00 0.00 O ATOM 1190 CB ASP A 73 7.146 -12.810 -5.440 1.00 0.00 C ATOM 1191 CG ASP A 73 7.705 -14.196 -5.114 1.00 0.00 C ATOM 1192 OD1 ASP A 73 7.663 -15.053 -6.024 1.00 0.00 O ATOM 1193 OD2 ASP A 73 8.162 -14.368 -3.964 1.00 0.00 O ATOM 0 H ASP A 73 7.852 -10.522 -7.318 1.00 0.00 H new ATOM 0 HA ASP A 73 7.315 -13.349 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.734 -12.063 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.128 -12.746 -5.057 1.00 0.00 H new ATOM 1198 N GLU A 74 4.792 -12.726 -7.436 1.00 0.00 N ATOM 1199 CA GLU A 74 3.442 -12.293 -7.754 1.00 0.00 C ATOM 1200 C GLU A 74 2.561 -12.346 -6.504 1.00 0.00 C ATOM 1201 O GLU A 74 1.482 -11.755 -6.476 1.00 0.00 O ATOM 1202 CB GLU A 74 2.846 -13.139 -8.881 1.00 0.00 C ATOM 1203 CG GLU A 74 2.293 -14.460 -8.342 1.00 0.00 C ATOM 1204 CD GLU A 74 1.795 -15.351 -9.482 1.00 0.00 C ATOM 1205 OE1 GLU A 74 0.609 -15.197 -9.845 1.00 0.00 O ATOM 1206 OE2 GLU A 74 2.612 -16.166 -9.963 1.00 0.00 O ATOM 0 H GLU A 74 4.911 -13.737 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 74 3.484 -11.261 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.050 -12.583 -9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.610 -13.340 -9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.068 -14.981 -7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.476 -14.261 -7.648 1.00 0.00 H new ATOM 1213 N ASN A 75 3.053 -13.058 -5.501 1.00 0.00 N ATOM 1214 CA ASN A 75 2.323 -13.196 -4.252 1.00 0.00 C ATOM 1215 C ASN A 75 2.357 -11.865 -3.498 1.00 0.00 C ATOM 1216 O ASN A 75 1.562 -11.644 -2.585 1.00 0.00 O ATOM 1217 CB ASN A 75 2.958 -14.262 -3.358 1.00 0.00 C ATOM 1218 CG ASN A 75 4.484 -14.155 -3.375 1.00 0.00 C ATOM 1219 OD1 ASN A 75 5.062 -13.112 -3.117 1.00 0.00 O ATOM 1220 ND2 ASN A 75 5.102 -15.289 -3.694 1.00 0.00 N ATOM 0 H ASN A 75 3.948 -13.546 -5.528 1.00 0.00 H new ATOM 0 HA ASN A 75 1.300 -13.488 -4.489 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.594 -14.149 -2.337 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.656 -15.253 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.121 -15.321 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.557 -16.127 -3.899 1.00 0.00 H new ATOM 1227 N ILE A 76 3.285 -11.013 -3.907 1.00 0.00 N ATOM 1228 CA ILE A 76 3.433 -9.710 -3.282 1.00 0.00 C ATOM 1229 C ILE A 76 2.186 -8.869 -3.563 1.00 0.00 C ATOM 1230 O ILE A 76 1.780 -8.721 -4.714 1.00 0.00 O ATOM 1231 CB ILE A 76 4.736 -9.045 -3.729 1.00 0.00 C ATOM 1232 CG1 ILE A 76 5.076 -7.848 -2.839 1.00 0.00 C ATOM 1233 CG2 ILE A 76 4.676 -8.660 -5.209 1.00 0.00 C ATOM 1234 CD1 ILE A 76 6.377 -7.181 -3.289 1.00 0.00 C ATOM 0 H ILE A 76 3.942 -11.200 -4.664 1.00 0.00 H new ATOM 0 HA ILE A 76 3.511 -9.814 -2.200 1.00 0.00 H new ATOM 0 HB ILE A 76 5.543 -9.769 -3.617 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.262 -7.124 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.170 -8.176 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.615 -8.189 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.516 -9.554 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.855 -7.962 -5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.595 -6.333 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.193 -7.901 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.271 -6.833 -4.316 1.00 0.00 H new ATOM 1246 N ARG A 77 1.613 -8.341 -2.491 1.00 0.00 N ATOM 1247 CA ARG A 77 0.421 -7.519 -2.608 1.00 0.00 C ATOM 1248 C ARG A 77 0.673 -6.131 -2.018 1.00 0.00 C ATOM 1249 O ARG A 77 0.804 -5.983 -0.804 1.00 0.00 O ATOM 1250 CB ARG A 77 -0.766 -8.164 -1.888 1.00 0.00 C ATOM 1251 CG ARG A 77 -1.857 -7.132 -1.596 1.00 0.00 C ATOM 1252 CD ARG A 77 -3.223 -7.805 -1.451 1.00 0.00 C ATOM 1253 NE ARG A 77 -3.393 -8.836 -2.498 1.00 0.00 N ATOM 1254 CZ ARG A 77 -4.210 -9.893 -2.386 1.00 0.00 C ATOM 1255 NH1 ARG A 77 -4.935 -10.065 -1.273 1.00 0.00 N ATOM 1256 NH2 ARG A 77 -4.301 -10.779 -3.388 1.00 0.00 N ATOM 0 H ARG A 77 1.952 -8.467 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 77 0.183 -7.429 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.175 -8.967 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.428 -8.615 -0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.615 -6.591 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.893 -6.398 -2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.311 -8.259 -0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.015 -7.060 -1.531 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.855 -8.737 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.866 -9.392 -0.510 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.556 -10.869 -1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.749 -10.649 -4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.923 -11.583 -3.303 1.00 0.00 H new ATOM 1270 N VAL A 78 0.734 -5.148 -2.905 1.00 0.00 N ATOM 1271 CA VAL A 78 0.968 -3.776 -2.487 1.00 0.00 C ATOM 1272 C VAL A 78 0.135 -2.833 -3.357 1.00 0.00 C ATOM 1273 O VAL A 78 -0.083 -3.101 -4.537 1.00 0.00 O ATOM 1274 CB VAL A 78 2.465 -3.464 -2.531 1.00 0.00 C ATOM 1275 CG1 VAL A 78 2.835 -2.734 -3.823 1.00 0.00 C ATOM 1276 CG2 VAL A 78 2.893 -2.657 -1.303 1.00 0.00 C ATOM 0 H VAL A 78 0.625 -5.275 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 78 0.650 -3.632 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 78 3.005 -4.411 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.905 -2.524 -3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.583 -3.360 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.281 -1.797 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.961 -2.449 -1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.341 -1.718 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.682 -3.229 -0.400 1.00 0.00 H new ATOM 1286 N ILE A 79 -0.309 -1.748 -2.740 1.00 0.00 N ATOM 1287 CA ILE A 79 -1.114 -0.763 -3.443 1.00 0.00 C ATOM 1288 C ILE A 79 -0.253 0.461 -3.759 1.00 0.00 C ATOM 1289 O ILE A 79 0.593 0.853 -2.957 1.00 0.00 O ATOM 1290 CB ILE A 79 -2.378 -0.437 -2.646 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.602 -1.126 -3.253 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -2.575 1.076 -2.525 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -4.110 -0.364 -4.478 1.00 0.00 C ATOM 0 H ILE A 79 -0.127 -1.529 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.461 -1.164 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.255 -0.828 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.346 -2.147 -3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.394 -1.191 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.481 1.280 -1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.718 1.515 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.667 1.512 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.980 -0.875 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.388 0.649 -4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.324 -0.322 -5.232 1.00 0.00 H new ATOM 1305 N ILE A 80 -0.498 1.031 -4.930 1.00 0.00 N ATOM 1306 CA ILE A 80 0.245 2.203 -5.362 1.00 0.00 C ATOM 1307 C ILE A 80 -0.594 3.456 -5.105 1.00 0.00 C ATOM 1308 O ILE A 80 -1.822 3.391 -5.080 1.00 0.00 O ATOM 1309 CB ILE A 80 0.691 2.048 -6.817 1.00 0.00 C ATOM 1310 CG1 ILE A 80 -0.498 2.178 -7.771 1.00 0.00 C ATOM 1311 CG2 ILE A 80 1.450 0.736 -7.021 1.00 0.00 C ATOM 1312 CD1 ILE A 80 -0.985 3.626 -7.848 1.00 0.00 C ATOM 0 H ILE A 80 -1.200 0.703 -5.593 1.00 0.00 H new ATOM 0 HA ILE A 80 1.162 2.309 -4.782 1.00 0.00 H new ATOM 0 HB ILE A 80 1.382 2.858 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.211 1.834 -8.765 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.311 1.535 -7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.756 0.651 -8.064 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.333 0.723 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.803 -0.102 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.831 3.690 -8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.295 3.959 -6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.177 4.263 -8.209 1.00 0.00 H new ATOM 1324 N MET A 81 0.102 4.569 -4.922 1.00 0.00 N ATOM 1325 CA MET A 81 -0.564 5.835 -4.669 1.00 0.00 C ATOM 1326 C MET A 81 0.110 6.972 -5.440 1.00 0.00 C ATOM 1327 O MET A 81 1.317 7.178 -5.321 1.00 0.00 O ATOM 1328 CB MET A 81 -0.527 6.141 -3.171 1.00 0.00 C ATOM 1329 CG MET A 81 -0.285 4.868 -2.357 1.00 0.00 C ATOM 1330 SD MET A 81 -0.170 5.265 -0.621 1.00 0.00 S ATOM 1331 CE MET A 81 1.569 4.972 -0.349 1.00 0.00 C ATOM 0 H MET A 81 1.120 4.620 -4.944 1.00 0.00 H new ATOM 0 HA MET A 81 -1.597 5.755 -5.006 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.261 6.865 -2.963 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.468 6.598 -2.866 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.097 4.160 -2.523 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.633 4.383 -2.689 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.881 5.464 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.749 3.900 -0.267 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.141 5.373 -1.186 1.00 0.00 H new ATOM 1341 N THR A 82 -0.700 7.682 -6.212 1.00 0.00 N ATOM 1342 CA THR A 82 -0.197 8.793 -7.002 1.00 0.00 C ATOM 1343 C THR A 82 -1.327 9.419 -7.822 1.00 0.00 C ATOM 1344 O THR A 82 -2.246 8.723 -8.252 1.00 0.00 O ATOM 1345 CB THR A 82 0.962 8.279 -7.857 1.00 0.00 C ATOM 1346 OG1 THR A 82 1.114 9.271 -8.869 1.00 0.00 O ATOM 1347 CG2 THR A 82 0.601 7.010 -8.631 1.00 0.00 C ATOM 0 H THR A 82 -1.701 7.509 -6.307 1.00 0.00 H new ATOM 0 HA THR A 82 0.181 9.592 -6.365 1.00 0.00 H new ATOM 0 HB THR A 82 1.824 8.082 -7.219 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.052 9.310 -9.150 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.459 6.688 -9.222 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.326 6.222 -7.930 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.240 7.215 -9.294 1.00 0.00 H new ATOM 1355 N ALA A 83 -1.223 10.726 -8.014 1.00 0.00 N ATOM 1356 CA ALA A 83 -2.224 11.453 -8.775 1.00 0.00 C ATOM 1357 C ALA A 83 -2.355 10.828 -10.165 1.00 0.00 C ATOM 1358 O ALA A 83 -1.436 10.160 -10.639 1.00 0.00 O ATOM 1359 CB ALA A 83 -1.845 12.934 -8.835 1.00 0.00 C ATOM 0 H ALA A 83 -0.460 11.300 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.198 11.386 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.597 13.479 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.794 13.338 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.874 13.042 -9.318 1.00 0.00 H new ATOM 1365 N TYR A 84 -3.503 11.067 -10.781 1.00 0.00 N ATOM 1366 CA TYR A 84 -3.766 10.536 -12.108 1.00 0.00 C ATOM 1367 C TYR A 84 -3.103 11.398 -13.184 1.00 0.00 C ATOM 1368 O TYR A 84 -3.726 11.724 -14.194 1.00 0.00 O ATOM 1369 CB TYR A 84 -5.284 10.590 -12.291 1.00 0.00 C ATOM 1370 CG TYR A 84 -5.812 11.965 -12.706 1.00 0.00 C ATOM 1371 CD1 TYR A 84 -5.951 12.964 -11.765 1.00 0.00 C ATOM 1372 CD2 TYR A 84 -6.149 12.205 -14.023 1.00 0.00 C ATOM 1373 CE1 TYR A 84 -6.448 14.258 -12.155 1.00 0.00 C ATOM 1374 CE2 TYR A 84 -6.646 13.499 -14.414 1.00 0.00 C ATOM 1375 CZ TYR A 84 -6.771 14.461 -13.461 1.00 0.00 C ATOM 1376 OH TYR A 84 -7.240 15.683 -13.830 1.00 0.00 O ATOM 0 H TYR A 84 -4.262 11.622 -10.386 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.370 9.525 -12.203 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.575 9.858 -13.044 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.763 10.295 -11.357 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.687 12.775 -10.735 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.040 11.423 -14.760 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.562 15.049 -11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.913 13.701 -15.441 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.429 15.684 -14.792 1.00 0.00 H new ATOM 1386 N GLY A 85 -1.849 11.742 -12.932 1.00 0.00 N ATOM 1387 CA GLY A 85 -1.095 12.559 -13.867 1.00 0.00 C ATOM 1388 C GLY A 85 -0.059 11.720 -14.618 1.00 0.00 C ATOM 1389 O GLY A 85 0.626 12.223 -15.507 1.00 0.00 O ATOM 0 H GLY A 85 -1.336 11.470 -12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.776 13.025 -14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.595 13.365 -13.330 1.00 0.00 H new ATOM 1393 N GLU A 86 0.021 10.455 -14.234 1.00 0.00 N ATOM 1394 CA GLU A 86 0.961 9.541 -14.860 1.00 0.00 C ATOM 1395 C GLU A 86 0.327 8.159 -15.027 1.00 0.00 C ATOM 1396 O GLU A 86 0.921 7.149 -14.651 1.00 0.00 O ATOM 1397 CB GLU A 86 2.260 9.454 -14.056 1.00 0.00 C ATOM 1398 CG GLU A 86 1.996 9.660 -12.563 1.00 0.00 C ATOM 1399 CD GLU A 86 3.270 9.443 -11.745 1.00 0.00 C ATOM 1400 OE1 GLU A 86 4.195 10.267 -11.906 1.00 0.00 O ATOM 1401 OE2 GLU A 86 3.290 8.456 -10.977 1.00 0.00 O ATOM 0 H GLU A 86 -0.550 10.041 -13.497 1.00 0.00 H new ATOM 0 HA GLU A 86 1.209 9.928 -15.849 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.726 8.482 -14.216 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.963 10.207 -14.412 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.618 10.668 -12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.223 8.969 -12.228 1.00 0.00 H new ATOM 1408 N LEU A 87 -0.872 8.157 -15.591 1.00 0.00 N ATOM 1409 CA LEU A 87 -1.593 6.916 -15.813 1.00 0.00 C ATOM 1410 C LEU A 87 -0.645 5.882 -16.425 1.00 0.00 C ATOM 1411 O LEU A 87 -0.711 4.700 -16.090 1.00 0.00 O ATOM 1412 CB LEU A 87 -2.850 7.168 -16.648 1.00 0.00 C ATOM 1413 CG LEU A 87 -3.869 8.140 -16.050 1.00 0.00 C ATOM 1414 CD1 LEU A 87 -4.669 8.840 -17.150 1.00 0.00 C ATOM 1415 CD2 LEU A 87 -4.777 7.432 -15.043 1.00 0.00 C ATOM 0 H LEU A 87 -1.362 8.996 -15.901 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.944 6.506 -14.866 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.544 7.548 -17.623 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.346 6.213 -16.819 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.326 8.912 -15.505 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.386 9.525 -16.698 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.990 9.398 -17.795 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.202 8.096 -17.742 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.492 8.146 -14.633 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.315 6.626 -15.542 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.172 7.019 -14.235 1.00 0.00 H new ATOM 1427 N ASP A 88 0.214 6.365 -17.310 1.00 0.00 N ATOM 1428 CA ASP A 88 1.174 5.498 -17.971 1.00 0.00 C ATOM 1429 C ASP A 88 1.875 4.629 -16.925 1.00 0.00 C ATOM 1430 O ASP A 88 2.063 3.431 -17.133 1.00 0.00 O ATOM 1431 CB ASP A 88 2.243 6.314 -18.701 1.00 0.00 C ATOM 1432 CG ASP A 88 2.238 6.171 -20.224 1.00 0.00 C ATOM 1433 OD1 ASP A 88 1.210 5.687 -20.746 1.00 0.00 O ATOM 1434 OD2 ASP A 88 3.263 6.548 -20.832 1.00 0.00 O ATOM 0 H ASP A 88 0.265 7.346 -17.585 1.00 0.00 H new ATOM 0 HA ASP A 88 0.633 4.885 -18.692 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.110 7.366 -18.450 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.223 6.018 -18.327 1.00 0.00 H new ATOM 1439 N MET A 89 2.243 5.266 -15.823 1.00 0.00 N ATOM 1440 CA MET A 89 2.920 4.567 -14.745 1.00 0.00 C ATOM 1441 C MET A 89 1.934 3.718 -13.938 1.00 0.00 C ATOM 1442 O MET A 89 2.210 2.558 -13.637 1.00 0.00 O ATOM 1443 CB MET A 89 3.594 5.583 -13.821 1.00 0.00 C ATOM 1444 CG MET A 89 4.648 4.908 -12.940 1.00 0.00 C ATOM 1445 SD MET A 89 4.028 4.727 -11.276 1.00 0.00 S ATOM 1446 CE MET A 89 5.338 3.747 -10.562 1.00 0.00 C ATOM 0 H MET A 89 2.085 6.259 -15.654 1.00 0.00 H new ATOM 0 HA MET A 89 3.669 3.906 -15.180 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.061 6.368 -14.416 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.843 6.063 -13.193 1.00 0.00 H new ATOM 0 HG2 MET A 89 4.905 3.931 -13.350 1.00 0.00 H new ATOM 0 HG3 MET A 89 5.562 5.501 -12.934 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.910 2.885 -10.050 1.00 0.00 H new ATOM 0 HE2 MET A 89 6.008 3.404 -11.351 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.898 4.352 -9.849 1.00 0.00 H new ATOM 1456 N ILE A 90 0.805 4.331 -13.612 1.00 0.00 N ATOM 1457 CA ILE A 90 -0.223 3.646 -12.847 1.00 0.00 C ATOM 1458 C ILE A 90 -0.647 2.378 -13.590 1.00 0.00 C ATOM 1459 O ILE A 90 -0.736 1.305 -12.994 1.00 0.00 O ATOM 1460 CB ILE A 90 -1.383 4.595 -12.540 1.00 0.00 C ATOM 1461 CG1 ILE A 90 -0.968 5.658 -11.520 1.00 0.00 C ATOM 1462 CG2 ILE A 90 -2.622 3.819 -12.086 1.00 0.00 C ATOM 1463 CD1 ILE A 90 -1.083 7.063 -12.114 1.00 0.00 C ATOM 0 H ILE A 90 0.580 5.294 -13.864 1.00 0.00 H new ATOM 0 HA ILE A 90 0.168 3.333 -11.879 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.648 5.117 -13.459 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.597 5.582 -10.633 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.058 5.478 -11.199 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.431 4.518 -11.874 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.931 3.133 -12.875 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.387 3.253 -11.185 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.782 7.799 -11.368 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.434 7.144 -12.986 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.115 7.249 -12.412 1.00 0.00 H new ATOM 1475 N GLN A 91 -0.897 2.542 -14.881 1.00 0.00 N ATOM 1476 CA GLN A 91 -1.309 1.423 -15.711 1.00 0.00 C ATOM 1477 C GLN A 91 -0.321 0.264 -15.568 1.00 0.00 C ATOM 1478 O GLN A 91 -0.719 -0.864 -15.280 1.00 0.00 O ATOM 1479 CB GLN A 91 -1.447 1.848 -17.174 1.00 0.00 C ATOM 1480 CG GLN A 91 -2.864 2.345 -17.469 1.00 0.00 C ATOM 1481 CD GLN A 91 -3.566 1.432 -18.477 1.00 0.00 C ATOM 1482 OE1 GLN A 91 -3.248 0.263 -18.622 1.00 0.00 O ATOM 1483 NE2 GLN A 91 -4.536 2.030 -19.164 1.00 0.00 N ATOM 0 H GLN A 91 -0.822 3.433 -15.372 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.288 1.084 -15.371 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -0.728 2.636 -17.397 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.210 1.006 -17.825 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.440 2.383 -16.544 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.823 3.361 -17.861 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.751 3.012 -18.993 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.064 1.506 -19.862 1.00 0.00 H new ATOM 1492 N GLU A 92 0.949 0.581 -15.777 1.00 0.00 N ATOM 1493 CA GLU A 92 1.997 -0.420 -15.675 1.00 0.00 C ATOM 1494 C GLU A 92 1.957 -1.092 -14.301 1.00 0.00 C ATOM 1495 O GLU A 92 2.193 -2.294 -14.187 1.00 0.00 O ATOM 1496 CB GLU A 92 3.371 0.195 -15.945 1.00 0.00 C ATOM 1497 CG GLU A 92 3.907 -0.238 -17.311 1.00 0.00 C ATOM 1498 CD GLU A 92 5.367 0.186 -17.487 1.00 0.00 C ATOM 1499 OE1 GLU A 92 6.241 -0.619 -17.100 1.00 0.00 O ATOM 1500 OE2 GLU A 92 5.575 1.304 -18.004 1.00 0.00 O ATOM 0 H GLU A 92 1.275 1.517 -16.017 1.00 0.00 H new ATOM 0 HA GLU A 92 1.821 -1.181 -16.435 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.301 1.282 -15.906 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.069 -0.108 -15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.824 -1.320 -17.412 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.299 0.203 -18.101 1.00 0.00 H new ATOM 1507 N SER A 93 1.657 -0.287 -13.293 1.00 0.00 N ATOM 1508 CA SER A 93 1.583 -0.789 -11.931 1.00 0.00 C ATOM 1509 C SER A 93 0.476 -1.839 -11.819 1.00 0.00 C ATOM 1510 O SER A 93 0.667 -2.883 -11.197 1.00 0.00 O ATOM 1511 CB SER A 93 1.338 0.349 -10.937 1.00 0.00 C ATOM 1512 OG SER A 93 -0.033 0.442 -10.560 1.00 0.00 O ATOM 0 H SER A 93 1.462 0.709 -13.392 1.00 0.00 H new ATOM 0 HA SER A 93 2.539 -1.251 -11.685 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.949 0.192 -10.048 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.657 1.292 -11.380 1.00 0.00 H new ATOM 0 HG SER A 93 -0.561 0.761 -11.322 1.00 0.00 H new ATOM 1518 N LYS A 94 -0.656 -1.526 -12.432 1.00 0.00 N ATOM 1519 CA LYS A 94 -1.793 -2.430 -12.409 1.00 0.00 C ATOM 1520 C LYS A 94 -1.443 -3.703 -13.182 1.00 0.00 C ATOM 1521 O LYS A 94 -1.669 -4.811 -12.696 1.00 0.00 O ATOM 1522 CB LYS A 94 -3.049 -1.724 -12.923 1.00 0.00 C ATOM 1523 CG LYS A 94 -4.185 -1.813 -11.902 1.00 0.00 C ATOM 1524 CD LYS A 94 -5.544 -1.899 -12.600 1.00 0.00 C ATOM 1525 CE LYS A 94 -6.008 -3.352 -12.720 1.00 0.00 C ATOM 1526 NZ LYS A 94 -5.504 -3.955 -13.974 1.00 0.00 N ATOM 0 H LYS A 94 -0.810 -0.659 -12.947 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.020 -2.730 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.823 -0.678 -13.131 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.365 -2.175 -13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.042 -2.688 -11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.162 -0.940 -11.250 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.281 -1.323 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.476 -1.452 -13.592 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.651 -3.926 -11.865 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.097 -3.395 -12.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.936 -4.891 -14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.751 -3.342 -14.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.470 -4.055 -13.920 1.00 0.00 H new ATOM 1540 N GLU A 95 -0.898 -3.503 -14.373 1.00 0.00 N ATOM 1541 CA GLU A 95 -0.515 -4.621 -15.218 1.00 0.00 C ATOM 1542 C GLU A 95 0.696 -5.344 -14.625 1.00 0.00 C ATOM 1543 O GLU A 95 1.053 -6.434 -15.070 1.00 0.00 O ATOM 1544 CB GLU A 95 -0.230 -4.156 -16.647 1.00 0.00 C ATOM 1545 CG GLU A 95 1.265 -3.908 -16.856 1.00 0.00 C ATOM 1546 CD GLU A 95 1.536 -3.322 -18.243 1.00 0.00 C ATOM 1547 OE1 GLU A 95 0.943 -2.262 -18.537 1.00 0.00 O ATOM 1548 OE2 GLU A 95 2.331 -3.947 -18.978 1.00 0.00 O ATOM 0 H GLU A 95 -0.713 -2.583 -14.773 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.348 -5.322 -15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.580 -4.908 -17.354 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.786 -3.241 -16.853 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.634 -3.225 -16.091 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.812 -4.844 -16.740 1.00 0.00 H new ATOM 1555 N LEU A 96 1.295 -4.708 -13.629 1.00 0.00 N ATOM 1556 CA LEU A 96 2.459 -5.277 -12.971 1.00 0.00 C ATOM 1557 C LEU A 96 2.010 -6.391 -12.023 1.00 0.00 C ATOM 1558 O LEU A 96 2.819 -7.215 -11.600 1.00 0.00 O ATOM 1559 CB LEU A 96 3.277 -4.180 -12.286 1.00 0.00 C ATOM 1560 CG LEU A 96 4.652 -3.892 -12.890 1.00 0.00 C ATOM 1561 CD1 LEU A 96 4.543 -3.595 -14.387 1.00 0.00 C ATOM 1562 CD2 LEU A 96 5.360 -2.767 -12.132 1.00 0.00 C ATOM 0 H LEU A 96 0.996 -3.805 -13.262 1.00 0.00 H new ATOM 0 HA LEU A 96 3.127 -5.731 -13.704 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.696 -3.258 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.412 -4.455 -11.240 1.00 0.00 H new ATOM 0 HG LEU A 96 5.265 -4.787 -12.784 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.535 -3.394 -14.791 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.111 -4.455 -14.898 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.906 -2.724 -14.540 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.335 -2.583 -12.582 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.759 -1.859 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.491 -3.057 -11.089 1.00 0.00 H new ATOM 1574 N GLY A 97 0.720 -6.380 -11.718 1.00 0.00 N ATOM 1575 CA GLY A 97 0.154 -7.380 -10.829 1.00 0.00 C ATOM 1576 C GLY A 97 -0.204 -6.767 -9.473 1.00 0.00 C ATOM 1577 O GLY A 97 -0.223 -7.463 -8.459 1.00 0.00 O ATOM 0 H GLY A 97 0.052 -5.695 -12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.737 -7.813 -11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.867 -8.192 -10.688 1.00 0.00 H new ATOM 1581 N ALA A 98 -0.480 -5.472 -9.499 1.00 0.00 N ATOM 1582 CA ALA A 98 -0.836 -4.758 -8.285 1.00 0.00 C ATOM 1583 C ALA A 98 -2.348 -4.852 -8.068 1.00 0.00 C ATOM 1584 O ALA A 98 -3.106 -5.023 -9.022 1.00 0.00 O ATOM 1585 CB ALA A 98 -0.350 -3.310 -8.382 1.00 0.00 C ATOM 0 H ALA A 98 -0.464 -4.898 -10.342 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.350 -5.208 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.617 -2.775 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.733 -3.297 -8.506 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.819 -2.825 -9.238 1.00 0.00 H new ATOM 1591 N LEU A 99 -2.741 -4.736 -6.808 1.00 0.00 N ATOM 1592 CA LEU A 99 -4.149 -4.806 -6.454 1.00 0.00 C ATOM 1593 C LEU A 99 -4.927 -3.771 -7.269 1.00 0.00 C ATOM 1594 O LEU A 99 -5.922 -4.101 -7.911 1.00 0.00 O ATOM 1595 CB LEU A 99 -4.329 -4.660 -4.942 1.00 0.00 C ATOM 1596 CG LEU A 99 -3.311 -5.400 -4.071 1.00 0.00 C ATOM 1597 CD1 LEU A 99 -3.004 -6.786 -4.643 1.00 0.00 C ATOM 1598 CD2 LEU A 99 -2.043 -4.565 -3.880 1.00 0.00 C ATOM 0 H LEU A 99 -2.109 -4.594 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.558 -5.784 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.289 -3.600 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.327 -5.012 -4.679 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.750 -5.549 -3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.278 -7.290 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.921 -7.374 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.594 -6.682 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.336 -5.114 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.591 -4.363 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.298 -3.622 -3.395 1.00 0.00 H new ATOM 1610 N THR A 100 -4.444 -2.538 -7.215 1.00 0.00 N ATOM 1611 CA THR A 100 -5.082 -1.452 -7.939 1.00 0.00 C ATOM 1612 C THR A 100 -4.215 -0.192 -7.884 1.00 0.00 C ATOM 1613 O THR A 100 -3.027 -0.265 -7.572 1.00 0.00 O ATOM 1614 CB THR A 100 -6.482 -1.252 -7.356 1.00 0.00 C ATOM 1615 OG1 THR A 100 -7.111 -0.352 -8.264 1.00 0.00 O ATOM 1616 CG2 THR A 100 -6.460 -0.490 -6.030 1.00 0.00 C ATOM 0 H THR A 100 -3.618 -2.267 -6.681 1.00 0.00 H new ATOM 0 HA THR A 100 -5.187 -1.691 -8.997 1.00 0.00 H new ATOM 0 HB THR A 100 -6.956 -2.222 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 100 -8.025 -0.169 -7.962 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.479 -0.375 -5.659 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.869 -1.045 -5.301 1.00 0.00 H new ATOM 0 HG23 THR A 100 -6.017 0.494 -6.183 1.00 0.00 H new ATOM 1624 N HIS A 101 -4.843 0.933 -8.192 1.00 0.00 N ATOM 1625 CA HIS A 101 -4.144 2.207 -8.181 1.00 0.00 C ATOM 1626 C HIS A 101 -5.094 3.310 -7.712 1.00 0.00 C ATOM 1627 O HIS A 101 -6.207 3.434 -8.221 1.00 0.00 O ATOM 1628 CB HIS A 101 -3.526 2.500 -9.550 1.00 0.00 C ATOM 1629 CG HIS A 101 -4.416 2.137 -10.715 1.00 0.00 C ATOM 1630 ND1 HIS A 101 -4.008 1.297 -11.737 1.00 0.00 N ATOM 1631 CD2 HIS A 101 -5.695 2.508 -11.009 1.00 0.00 C ATOM 1632 CE1 HIS A 101 -5.005 1.177 -12.602 1.00 0.00 C ATOM 1633 NE2 HIS A 101 -6.049 1.928 -12.149 1.00 0.00 N ATOM 0 H HIS A 101 -5.828 0.989 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.315 2.164 -7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.283 3.561 -9.608 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.587 1.953 -9.638 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.315 3.163 -10.415 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.993 0.588 -13.507 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -6.953 2.028 -12.610 1.00 0.00 H new ATOM 1641 N PHE A 102 -4.621 4.084 -6.746 1.00 0.00 N ATOM 1642 CA PHE A 102 -5.415 5.172 -6.202 1.00 0.00 C ATOM 1643 C PHE A 102 -4.791 6.528 -6.540 1.00 0.00 C ATOM 1644 O PHE A 102 -3.591 6.617 -6.795 1.00 0.00 O ATOM 1645 CB PHE A 102 -5.432 4.997 -4.682 1.00 0.00 C ATOM 1646 CG PHE A 102 -6.035 3.671 -4.215 1.00 0.00 C ATOM 1647 CD1 PHE A 102 -7.138 3.170 -4.834 1.00 0.00 C ATOM 1648 CD2 PHE A 102 -5.469 2.992 -3.182 1.00 0.00 C ATOM 1649 CE1 PHE A 102 -7.698 1.939 -4.401 1.00 0.00 C ATOM 1650 CE2 PHE A 102 -6.029 1.761 -2.749 1.00 0.00 C ATOM 1651 CZ PHE A 102 -7.131 1.261 -3.367 1.00 0.00 C ATOM 0 H PHE A 102 -3.697 3.979 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.419 5.148 -6.626 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.412 5.073 -4.306 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.996 5.817 -4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.588 3.709 -5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -4.593 3.389 -2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.574 1.541 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.579 1.222 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.557 0.325 -3.037 1.00 0.00 H new ATOM 1661 N ALA A 103 -5.634 7.550 -6.532 1.00 0.00 N ATOM 1662 CA ALA A 103 -5.181 8.897 -6.835 1.00 0.00 C ATOM 1663 C ALA A 103 -5.094 9.704 -5.538 1.00 0.00 C ATOM 1664 O ALA A 103 -5.880 9.491 -4.616 1.00 0.00 O ATOM 1665 CB ALA A 103 -6.123 9.535 -7.857 1.00 0.00 C ATOM 0 H ALA A 103 -6.629 7.472 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.186 8.877 -7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.783 10.545 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.127 8.940 -8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.132 9.575 -7.446 1.00 0.00 H new ATOM 1671 N LYS A 104 -4.132 10.615 -5.509 1.00 0.00 N ATOM 1672 CA LYS A 104 -3.933 11.456 -4.341 1.00 0.00 C ATOM 1673 C LYS A 104 -5.277 11.684 -3.647 1.00 0.00 C ATOM 1674 O LYS A 104 -5.438 11.352 -2.473 1.00 0.00 O ATOM 1675 CB LYS A 104 -3.213 12.750 -4.728 1.00 0.00 C ATOM 1676 CG LYS A 104 -1.847 12.842 -4.047 1.00 0.00 C ATOM 1677 CD LYS A 104 -0.738 12.335 -4.970 1.00 0.00 C ATOM 1678 CE LYS A 104 -0.070 13.495 -5.712 1.00 0.00 C ATOM 1679 NZ LYS A 104 1.037 12.998 -6.561 1.00 0.00 N ATOM 0 H LYS A 104 -3.482 10.789 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.282 10.960 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.087 12.791 -5.810 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.823 13.608 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.646 13.876 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.855 12.257 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.007 11.794 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.153 11.629 -5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.805 14.012 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.312 14.222 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.839 13.659 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.338 12.061 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.713 12.925 -7.547 1.00 0.00 H new ATOM 1693 N PRO A 105 -6.233 12.264 -4.421 1.00 0.00 N ATOM 1694 CA PRO A 105 -7.558 12.541 -3.893 1.00 0.00 C ATOM 1695 C PRO A 105 -8.381 11.256 -3.778 1.00 0.00 C ATOM 1696 O PRO A 105 -8.988 10.814 -4.753 1.00 0.00 O ATOM 1697 CB PRO A 105 -8.162 13.550 -4.856 1.00 0.00 C ATOM 1698 CG PRO A 105 -7.344 13.450 -6.132 1.00 0.00 C ATOM 1699 CD PRO A 105 -6.078 12.671 -5.815 1.00 0.00 C ATOM 0 HA PRO A 105 -7.532 12.944 -2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.212 13.328 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.120 14.558 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.915 12.948 -6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.097 14.444 -6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.970 11.807 -6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.189 13.287 -5.951 1.00 0.00 H new ATOM 1707 N PHE A 106 -8.376 10.693 -2.579 1.00 0.00 N ATOM 1708 CA PHE A 106 -9.115 9.469 -2.324 1.00 0.00 C ATOM 1709 C PHE A 106 -9.990 9.606 -1.076 1.00 0.00 C ATOM 1710 O PHE A 106 -9.692 10.403 -0.189 1.00 0.00 O ATOM 1711 CB PHE A 106 -8.083 8.364 -2.089 1.00 0.00 C ATOM 1712 CG PHE A 106 -6.732 8.872 -1.580 1.00 0.00 C ATOM 1713 CD1 PHE A 106 -6.675 9.649 -0.466 1.00 0.00 C ATOM 1714 CD2 PHE A 106 -5.590 8.546 -2.242 1.00 0.00 C ATOM 1715 CE1 PHE A 106 -5.421 10.121 0.007 1.00 0.00 C ATOM 1716 CE2 PHE A 106 -4.337 9.018 -1.769 1.00 0.00 C ATOM 1717 CZ PHE A 106 -4.279 9.795 -0.655 1.00 0.00 C ATOM 0 H PHE A 106 -7.872 11.062 -1.773 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.766 9.245 -3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.486 7.652 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.928 7.822 -3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.583 9.907 0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.636 7.929 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.375 10.738 0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.430 8.760 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 106 -3.326 10.153 -0.296 1.00 0.00 H new ATOM 1727 N ASP A 107 -11.053 8.816 -1.049 1.00 0.00 N ATOM 1728 CA ASP A 107 -11.974 8.839 0.076 1.00 0.00 C ATOM 1729 C ASP A 107 -11.913 7.496 0.807 1.00 0.00 C ATOM 1730 O ASP A 107 -11.763 6.449 0.179 1.00 0.00 O ATOM 1731 CB ASP A 107 -13.413 9.055 -0.396 1.00 0.00 C ATOM 1732 CG ASP A 107 -14.194 10.120 0.378 1.00 0.00 C ATOM 1733 OD1 ASP A 107 -13.619 10.648 1.354 1.00 0.00 O ATOM 1734 OD2 ASP A 107 -15.348 10.381 -0.024 1.00 0.00 O ATOM 0 H ASP A 107 -11.298 8.156 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.683 9.658 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.396 9.332 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.949 8.109 -0.324 1.00 0.00 H new ATOM 1739 N ILE A 108 -12.032 7.571 2.124 1.00 0.00 N ATOM 1740 CA ILE A 108 -11.993 6.374 2.948 1.00 0.00 C ATOM 1741 C ILE A 108 -13.223 5.514 2.651 1.00 0.00 C ATOM 1742 O ILE A 108 -13.146 4.287 2.671 1.00 0.00 O ATOM 1743 CB ILE A 108 -11.844 6.745 4.425 1.00 0.00 C ATOM 1744 CG1 ILE A 108 -10.369 6.838 4.821 1.00 0.00 C ATOM 1745 CG2 ILE A 108 -12.617 5.770 5.316 1.00 0.00 C ATOM 1746 CD1 ILE A 108 -9.552 7.538 3.734 1.00 0.00 C ATOM 0 H ILE A 108 -12.155 8.441 2.641 1.00 0.00 H new ATOM 0 HA ILE A 108 -11.117 5.773 2.704 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.280 7.733 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.275 7.384 5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.971 5.838 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.494 6.056 6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -13.675 5.798 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.233 4.760 5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.507 7.591 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.629 6.977 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.937 8.546 3.582 1.00 0.00 H new ATOM 1758 N ASP A 109 -14.328 6.193 2.382 1.00 0.00 N ATOM 1759 CA ASP A 109 -15.573 5.507 2.081 1.00 0.00 C ATOM 1760 C ASP A 109 -15.397 4.675 0.809 1.00 0.00 C ATOM 1761 O ASP A 109 -15.851 3.533 0.741 1.00 0.00 O ATOM 1762 CB ASP A 109 -16.708 6.504 1.840 1.00 0.00 C ATOM 1763 CG ASP A 109 -17.958 6.280 2.693 1.00 0.00 C ATOM 1764 OD1 ASP A 109 -18.579 5.209 2.520 1.00 0.00 O ATOM 1765 OD2 ASP A 109 -18.263 7.184 3.500 1.00 0.00 O ATOM 0 H ASP A 109 -14.387 7.211 2.366 1.00 0.00 H new ATOM 0 HA ASP A 109 -15.824 4.875 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -16.334 7.510 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -16.992 6.461 0.788 1.00 0.00 H new ATOM 1770 N GLU A 110 -14.737 5.279 -0.169 1.00 0.00 N ATOM 1771 CA GLU A 110 -14.495 4.608 -1.435 1.00 0.00 C ATOM 1772 C GLU A 110 -13.378 3.574 -1.283 1.00 0.00 C ATOM 1773 O GLU A 110 -13.337 2.587 -2.016 1.00 0.00 O ATOM 1774 CB GLU A 110 -14.162 5.618 -2.535 1.00 0.00 C ATOM 1775 CG GLU A 110 -12.784 6.242 -2.308 1.00 0.00 C ATOM 1776 CD GLU A 110 -12.179 6.729 -3.626 1.00 0.00 C ATOM 1777 OE1 GLU A 110 -12.915 7.414 -4.370 1.00 0.00 O ATOM 1778 OE2 GLU A 110 -10.994 6.407 -3.860 1.00 0.00 O ATOM 0 H GLU A 110 -14.362 6.226 -0.110 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.407 4.088 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -14.186 5.124 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -14.920 6.401 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.869 7.077 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.121 5.510 -1.848 1.00 0.00 H new ATOM 1785 N ILE A 111 -12.499 3.836 -0.326 1.00 0.00 N ATOM 1786 CA ILE A 111 -11.384 2.940 -0.069 1.00 0.00 C ATOM 1787 C ILE A 111 -11.880 1.731 0.727 1.00 0.00 C ATOM 1788 O ILE A 111 -11.255 0.672 0.708 1.00 0.00 O ATOM 1789 CB ILE A 111 -10.237 3.693 0.607 1.00 0.00 C ATOM 1790 CG1 ILE A 111 -9.374 4.421 -0.426 1.00 0.00 C ATOM 1791 CG2 ILE A 111 -9.409 2.755 1.487 1.00 0.00 C ATOM 1792 CD1 ILE A 111 -8.184 5.111 0.242 1.00 0.00 C ATOM 0 H ILE A 111 -12.537 4.655 0.280 1.00 0.00 H new ATOM 0 HA ILE A 111 -10.977 2.560 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 111 -10.666 4.453 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.016 3.711 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -9.978 5.159 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.600 3.315 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -10.046 2.323 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -8.990 1.957 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.587 5.621 -0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.546 5.838 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.569 4.367 0.748 1.00 0.00 H new ATOM 1804 N ARG A 112 -12.999 1.930 1.409 1.00 0.00 N ATOM 1805 CA ARG A 112 -13.586 0.870 2.210 1.00 0.00 C ATOM 1806 C ARG A 112 -14.130 -0.239 1.306 1.00 0.00 C ATOM 1807 O ARG A 112 -14.267 -1.383 1.736 1.00 0.00 O ATOM 1808 CB ARG A 112 -14.719 1.405 3.087 1.00 0.00 C ATOM 1809 CG ARG A 112 -14.188 2.398 4.123 1.00 0.00 C ATOM 1810 CD ARG A 112 -14.467 1.908 5.546 1.00 0.00 C ATOM 1811 NE ARG A 112 -13.649 0.710 5.838 1.00 0.00 N ATOM 1812 CZ ARG A 112 -13.866 -0.114 6.872 1.00 0.00 C ATOM 1813 NH1 ARG A 112 -14.876 0.126 7.719 1.00 0.00 N ATOM 1814 NH2 ARG A 112 -13.073 -1.177 7.059 1.00 0.00 N ATOM 0 H ARG A 112 -13.514 2.810 1.423 1.00 0.00 H new ATOM 0 HA ARG A 112 -12.803 0.468 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -15.468 1.891 2.463 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -15.215 0.576 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.115 2.534 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -14.655 3.371 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -14.239 2.697 6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -15.525 1.672 5.657 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.871 0.498 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.480 0.936 7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.041 -0.501 8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.304 -1.359 6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.238 -1.804 7.846 1.00 0.00 H new ATOM 1828 N ASP A 113 -14.424 0.139 0.071 1.00 0.00 N ATOM 1829 CA ASP A 113 -14.950 -0.809 -0.896 1.00 0.00 C ATOM 1830 C ASP A 113 -13.788 -1.523 -1.588 1.00 0.00 C ATOM 1831 O ASP A 113 -13.833 -2.735 -1.794 1.00 0.00 O ATOM 1832 CB ASP A 113 -15.775 -0.098 -1.971 1.00 0.00 C ATOM 1833 CG ASP A 113 -17.212 -0.601 -2.121 1.00 0.00 C ATOM 1834 OD1 ASP A 113 -17.781 -1.011 -1.086 1.00 0.00 O ATOM 1835 OD2 ASP A 113 -17.710 -0.565 -3.267 1.00 0.00 O ATOM 0 H ASP A 113 -14.308 1.089 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.585 -1.517 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.801 0.967 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.266 -0.206 -2.929 1.00 0.00 H new ATOM 1840 N ALA A 114 -12.773 -0.742 -1.927 1.00 0.00 N ATOM 1841 CA ALA A 114 -11.600 -1.285 -2.591 1.00 0.00 C ATOM 1842 C ALA A 114 -10.836 -2.182 -1.615 1.00 0.00 C ATOM 1843 O ALA A 114 -10.165 -3.126 -2.029 1.00 0.00 O ATOM 1844 CB ALA A 114 -10.739 -0.138 -3.125 1.00 0.00 C ATOM 0 H ALA A 114 -12.739 0.263 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.891 -1.899 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -9.859 -0.545 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.318 0.451 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.426 0.498 -2.297 1.00 0.00 H new ATOM 1850 N VAL A 115 -10.963 -1.854 -0.337 1.00 0.00 N ATOM 1851 CA VAL A 115 -10.292 -2.618 0.701 1.00 0.00 C ATOM 1852 C VAL A 115 -10.849 -4.043 0.719 1.00 0.00 C ATOM 1853 O VAL A 115 -10.139 -4.987 1.065 1.00 0.00 O ATOM 1854 CB VAL A 115 -10.430 -1.905 2.047 1.00 0.00 C ATOM 1855 CG1 VAL A 115 -10.334 -2.899 3.207 1.00 0.00 C ATOM 1856 CG2 VAL A 115 -9.388 -0.794 2.189 1.00 0.00 C ATOM 0 H VAL A 115 -11.520 -1.070 0.003 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.224 -2.689 0.494 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.417 -1.444 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -10.435 -2.366 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.131 -3.638 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -9.368 -3.402 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -9.509 -0.303 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -8.388 -1.222 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.524 -0.063 1.392 1.00 0.00 H new