USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ 164:sc= -1.41 (180deg=0) USER MOD Set 1.2: A 84 MET CE :methyl -149:sc= -5.13 (180deg=-2.66) USER MOD Set 2.1: A 9 THR OG1 : rot 163:sc= 0.00207 USER MOD Set 2.2: A 16 CYS SG : rot 21:sc= -12! USER MOD Single : A 1 MET CE :methyl -113:sc= -0.283 (180deg=-1.3) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0272 (180deg=-0.315!) USER MOD Single : A 4 ASN : amide:sc= -0.323 K(o=-0.32,f=-1.8!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.405 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.876 USER MOD Single : A 15 TYR OH : rot 125:sc= -2.19! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -140:sc= -0.0288 (180deg=-0.245) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 0.862 (180deg=-1.11!) USER MOD Single : A 42 MET CE :methyl -122:sc= -0.219 (180deg=-0.998) USER MOD Single : A 47 LYS NZ :NH3+ 137:sc= -9.99! (180deg=-14.1!) USER MOD Single : A 51 TYR OH : rot -152:sc= -8.75! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -12.5! C(o=-12!,f=-25!) USER MOD Single : A 72 SER OG : rot -110:sc= -4.41! USER MOD Single : A 81 ASN : amide:sc= -1.57! C(o=-1.6!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.445 -2.481 9.504 1.00 0.00 N ATOM 2 CA MET A 1 -10.987 -1.919 8.196 1.00 0.00 C ATOM 3 C MET A 1 -11.119 -2.961 7.083 1.00 0.00 C ATOM 4 O MET A 1 -10.550 -4.037 7.137 1.00 0.00 O ATOM 5 CB MET A 1 -9.519 -1.530 8.403 1.00 0.00 C ATOM 6 CG MET A 1 -8.618 -2.768 8.321 1.00 0.00 C ATOM 7 SD MET A 1 -9.264 -4.095 9.382 1.00 0.00 S ATOM 8 CE MET A 1 -8.536 -3.536 10.939 1.00 0.00 C ATOM 0 H1 MET A 1 -11.428 -1.734 10.228 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.414 -2.845 9.405 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.812 -3.255 9.790 1.00 0.00 H new ATOM 0 HA MET A 1 -11.590 -1.062 7.895 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.219 -0.804 7.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.398 -1.048 9.373 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.559 -3.115 7.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.605 -2.509 8.628 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.783 -4.253 11.266 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.071 -2.561 10.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.315 -3.457 11.697 1.00 0.00 H new ATOM 20 N VAL A 2 -11.861 -2.655 6.070 1.00 0.00 N ATOM 21 CA VAL A 2 -12.018 -3.627 4.956 1.00 0.00 C ATOM 22 C VAL A 2 -10.797 -3.565 4.032 1.00 0.00 C ATOM 23 O VAL A 2 -9.821 -4.268 4.224 1.00 0.00 O ATOM 24 CB VAL A 2 -13.281 -3.189 4.210 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.344 -1.651 4.169 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.242 -3.752 2.779 1.00 0.00 C ATOM 0 H VAL A 2 -12.368 -1.777 5.959 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.099 -4.654 5.313 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.165 -3.568 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.243 -1.338 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.369 -1.261 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.465 -1.264 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.139 -3.444 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.361 -3.372 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.198 -4.840 2.817 1.00 0.00 H new ATOM 36 N VAL A 3 -10.860 -2.750 3.019 1.00 0.00 N ATOM 37 CA VAL A 3 -9.728 -2.642 2.067 1.00 0.00 C ATOM 38 C VAL A 3 -8.755 -1.565 2.528 1.00 0.00 C ATOM 39 O VAL A 3 -9.067 -0.397 2.492 1.00 0.00 O ATOM 40 CB VAL A 3 -10.399 -2.246 0.745 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.354 -1.791 -0.266 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.147 -3.447 0.185 1.00 0.00 C ATOM 0 H VAL A 3 -11.657 -2.149 2.810 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.149 -3.562 1.981 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.091 -1.425 0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.846 -1.514 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.815 -0.930 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.652 -2.603 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.626 -3.172 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.446 -4.263 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.906 -3.768 0.899 1.00 0.00 H new ATOM 52 N ASN A 4 -7.575 -1.935 2.940 1.00 0.00 N ATOM 53 CA ASN A 4 -6.605 -0.893 3.358 1.00 0.00 C ATOM 54 C ASN A 4 -5.326 -1.059 2.540 1.00 0.00 C ATOM 55 O ASN A 4 -4.570 -1.979 2.744 1.00 0.00 O ATOM 56 CB ASN A 4 -6.355 -1.187 4.835 1.00 0.00 C ATOM 57 CG ASN A 4 -7.304 -0.354 5.698 1.00 0.00 C ATOM 58 OD1 ASN A 4 -8.408 -0.048 5.294 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.916 0.018 6.886 1.00 0.00 N ATOM 0 H ASN A 4 -7.246 -2.898 3.004 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.958 0.127 3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.505 -2.248 5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.321 -0.958 5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.540 0.567 7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.989 -0.240 7.224 1.00 0.00 H new ATOM 66 N ILE A 5 -5.097 -0.170 1.624 1.00 0.00 N ATOM 67 CA ILE A 5 -3.874 -0.248 0.771 1.00 0.00 C ATOM 68 C ILE A 5 -3.061 1.032 0.884 1.00 0.00 C ATOM 69 O ILE A 5 -3.608 2.111 0.868 1.00 0.00 O ATOM 70 CB ILE A 5 -4.371 -0.492 -0.662 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.837 -0.931 -0.638 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.537 -1.606 -1.285 1.00 0.00 C ATOM 73 CD1 ILE A 5 -5.943 -2.356 -0.096 1.00 0.00 C ATOM 0 H ILE A 5 -5.710 0.620 1.422 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.209 -1.052 1.085 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.277 0.427 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.419 -0.251 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.257 -0.882 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.879 -1.790 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.488 -1.309 -1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.647 -2.516 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.989 -2.663 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.376 -3.032 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.540 -2.391 0.916 1.00 0.00 H new ATOM 85 N GLU A 6 -1.779 0.981 0.945 1.00 0.00 N ATOM 86 CA GLU A 6 -1.071 2.267 1.000 1.00 0.00 C ATOM 87 C GLU A 6 0.012 2.185 -0.043 1.00 0.00 C ATOM 88 O GLU A 6 0.869 1.326 -0.001 1.00 0.00 O ATOM 89 CB GLU A 6 -0.481 2.328 2.416 1.00 0.00 C ATOM 90 CG GLU A 6 -0.215 3.782 2.866 1.00 0.00 C ATOM 91 CD GLU A 6 -0.099 3.847 4.406 1.00 0.00 C ATOM 92 OE1 GLU A 6 -1.033 3.435 5.074 1.00 0.00 O ATOM 93 OE2 GLU A 6 0.928 4.304 4.888 1.00 0.00 O ATOM 0 H GLU A 6 -1.204 0.138 0.959 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.685 3.147 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.167 1.851 3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.450 1.762 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.703 4.151 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.023 4.430 2.526 1.00 0.00 H new ATOM 100 N VAL A 7 -0.031 3.103 -0.967 1.00 0.00 N ATOM 101 CA VAL A 7 0.930 3.096 -2.081 1.00 0.00 C ATOM 102 C VAL A 7 1.806 4.303 -1.926 1.00 0.00 C ATOM 103 O VAL A 7 1.396 5.426 -2.135 1.00 0.00 O ATOM 104 CB VAL A 7 0.103 3.233 -3.398 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.789 2.019 -3.671 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.808 4.455 -3.331 1.00 0.00 C ATOM 0 H VAL A 7 -0.707 3.867 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 7 1.535 2.189 -2.098 1.00 0.00 H new ATOM 0 HB VAL A 7 0.837 3.323 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.339 2.173 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.171 1.126 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.493 1.893 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.377 4.536 -4.257 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.495 4.351 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.204 5.352 -3.197 1.00 0.00 H new ATOM 116 N PHE A 8 3.004 4.058 -1.518 1.00 0.00 N ATOM 117 CA PHE A 8 3.946 5.161 -1.299 1.00 0.00 C ATOM 118 C PHE A 8 5.115 5.049 -2.279 1.00 0.00 C ATOM 119 O PHE A 8 6.148 4.469 -1.988 1.00 0.00 O ATOM 120 CB PHE A 8 4.402 4.912 0.158 1.00 0.00 C ATOM 121 CG PHE A 8 5.764 5.518 0.394 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.876 6.873 0.660 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.920 4.726 0.317 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.132 7.444 0.856 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.183 5.305 0.511 1.00 0.00 C ATOM 126 CZ PHE A 8 8.284 6.664 0.782 1.00 0.00 C ATOM 0 H PHE A 8 3.374 3.127 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 8 3.526 6.155 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.680 5.344 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.434 3.841 0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.989 7.487 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.837 3.670 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.213 8.500 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.073 4.697 0.450 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.253 7.115 0.935 1.00 0.00 H new ATOM 136 N THR A 9 4.976 5.638 -3.423 1.00 0.00 N ATOM 137 CA THR A 9 6.077 5.600 -4.421 1.00 0.00 C ATOM 138 C THR A 9 6.343 7.004 -4.947 1.00 0.00 C ATOM 139 O THR A 9 7.468 7.430 -5.037 1.00 0.00 O ATOM 140 CB THR A 9 5.590 4.685 -5.545 1.00 0.00 C ATOM 141 OG1 THR A 9 4.703 3.699 -5.021 1.00 0.00 O ATOM 142 CG2 THR A 9 6.787 3.996 -6.204 1.00 0.00 C ATOM 0 H THR A 9 4.143 6.149 -3.716 1.00 0.00 H new ATOM 0 HA THR A 9 7.008 5.232 -3.990 1.00 0.00 H new ATOM 0 HB THR A 9 5.062 5.284 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.190 3.299 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.436 3.345 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.458 4.749 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.320 3.403 -5.461 1.00 0.00 H new ATOM 150 N SER A 10 5.308 7.729 -5.292 1.00 0.00 N ATOM 151 CA SER A 10 5.505 9.117 -5.810 1.00 0.00 C ATOM 152 C SER A 10 4.164 9.762 -6.169 1.00 0.00 C ATOM 153 O SER A 10 3.248 9.086 -6.591 1.00 0.00 O ATOM 154 CB SER A 10 6.370 8.967 -7.055 1.00 0.00 C ATOM 155 OG SER A 10 6.782 10.256 -7.485 1.00 0.00 O ATOM 0 H SER A 10 4.337 7.420 -5.237 1.00 0.00 H new ATOM 0 HA SER A 10 5.971 9.759 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.239 8.346 -6.838 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.810 8.467 -7.845 1.00 0.00 H new ATOM 0 HG SER A 10 7.341 10.171 -8.285 1.00 0.00 H new ATOM 161 N PRO A 11 4.100 11.060 -5.979 1.00 0.00 N ATOM 162 CA PRO A 11 2.864 11.819 -6.264 1.00 0.00 C ATOM 163 C PRO A 11 2.799 12.219 -7.734 1.00 0.00 C ATOM 164 O PRO A 11 1.740 12.417 -8.291 1.00 0.00 O ATOM 165 CB PRO A 11 2.996 13.055 -5.382 1.00 0.00 C ATOM 166 CG PRO A 11 4.470 13.241 -5.162 1.00 0.00 C ATOM 167 CD PRO A 11 5.168 11.937 -5.494 1.00 0.00 C ATOM 0 HA PRO A 11 1.960 11.244 -6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.559 13.929 -5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.473 12.918 -4.436 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.849 14.046 -5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.667 13.525 -4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.938 12.081 -6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.659 11.516 -4.617 1.00 0.00 H new ATOM 175 N THR A 12 3.930 12.346 -8.369 1.00 0.00 N ATOM 176 CA THR A 12 3.954 12.733 -9.803 1.00 0.00 C ATOM 177 C THR A 12 3.592 11.530 -10.676 1.00 0.00 C ATOM 178 O THR A 12 3.664 11.586 -11.892 1.00 0.00 O ATOM 179 CB THR A 12 5.385 13.213 -10.064 1.00 0.00 C ATOM 180 OG1 THR A 12 5.893 13.843 -8.892 1.00 0.00 O ATOM 181 CG2 THR A 12 5.395 14.212 -11.223 1.00 0.00 C ATOM 0 H THR A 12 4.848 12.196 -7.949 1.00 0.00 H new ATOM 0 HA THR A 12 3.230 13.512 -10.041 1.00 0.00 H new ATOM 0 HB THR A 12 6.010 12.358 -10.322 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.809 14.149 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.416 14.550 -11.404 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.008 13.731 -12.121 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.769 15.068 -10.971 1.00 0.00 H new ATOM 189 N CYS A 13 3.205 10.439 -10.065 1.00 0.00 N ATOM 190 CA CYS A 13 2.819 9.242 -10.862 1.00 0.00 C ATOM 191 C CYS A 13 1.796 8.386 -10.089 1.00 0.00 C ATOM 192 O CYS A 13 1.311 8.788 -9.045 1.00 0.00 O ATOM 193 CB CYS A 13 4.152 8.506 -11.074 1.00 0.00 C ATOM 194 SG CYS A 13 4.536 8.528 -12.840 1.00 0.00 S ATOM 0 H CYS A 13 3.141 10.328 -9.053 1.00 0.00 H new ATOM 0 HA CYS A 13 2.332 9.484 -11.807 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.947 8.989 -10.506 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.081 7.480 -10.713 1.00 0.00 H new ATOM 0 HG CYS A 13 5.662 7.913 -13.047 1.00 0.00 H new ATOM 200 N PRO A 14 1.515 7.219 -10.621 1.00 0.00 N ATOM 201 CA PRO A 14 0.591 6.272 -9.959 1.00 0.00 C ATOM 202 C PRO A 14 1.373 5.442 -8.929 1.00 0.00 C ATOM 203 O PRO A 14 2.159 4.582 -9.286 1.00 0.00 O ATOM 204 CB PRO A 14 0.114 5.380 -11.098 1.00 0.00 C ATOM 205 CG PRO A 14 1.193 5.445 -12.138 1.00 0.00 C ATOM 206 CD PRO A 14 2.010 6.689 -11.893 1.00 0.00 C ATOM 0 HA PRO A 14 -0.231 6.758 -9.433 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.040 4.356 -10.756 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.838 5.730 -11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.825 4.559 -12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.757 5.467 -13.137 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.074 6.459 -11.838 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.882 7.411 -12.699 1.00 0.00 H new ATOM 214 N TYR A 15 1.170 5.700 -7.668 1.00 0.00 N ATOM 215 CA TYR A 15 1.897 4.932 -6.611 1.00 0.00 C ATOM 216 C TYR A 15 1.759 3.432 -6.895 1.00 0.00 C ATOM 217 O TYR A 15 2.630 2.824 -7.483 1.00 0.00 O ATOM 218 CB TYR A 15 1.197 5.295 -5.295 1.00 0.00 C ATOM 219 CG TYR A 15 0.954 6.780 -5.218 1.00 0.00 C ATOM 220 CD1 TYR A 15 1.955 7.626 -4.738 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.275 7.311 -5.636 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.729 9.007 -4.675 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.500 8.692 -5.576 1.00 0.00 C ATOM 224 CZ TYR A 15 0.505 9.541 -5.096 1.00 0.00 C ATOM 225 OH TYR A 15 0.288 10.901 -5.034 1.00 0.00 O ATOM 0 H TYR A 15 0.529 6.413 -7.319 1.00 0.00 H new ATOM 0 HA TYR A 15 2.961 5.167 -6.576 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.249 4.761 -5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.809 4.977 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.901 7.217 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.049 6.654 -6.005 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.502 9.662 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.446 9.101 -5.899 1.00 0.00 H new ATOM 0 HH TYR A 15 0.025 11.231 -5.918 1.00 0.00 H new ATOM 235 N CYS A 16 0.666 2.835 -6.492 1.00 0.00 N ATOM 236 CA CYS A 16 0.461 1.379 -6.747 1.00 0.00 C ATOM 237 C CYS A 16 -1.043 1.065 -6.753 1.00 0.00 C ATOM 238 O CYS A 16 -1.478 0.118 -6.133 1.00 0.00 O ATOM 239 CB CYS A 16 1.170 0.667 -5.585 1.00 0.00 C ATOM 240 SG CYS A 16 2.954 0.665 -5.881 1.00 0.00 S ATOM 0 H CYS A 16 -0.096 3.297 -5.995 1.00 0.00 H new ATOM 0 HA CYS A 16 0.857 1.058 -7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.947 1.171 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.804 -0.356 -5.493 1.00 0.00 H new ATOM 0 HG CYS A 16 3.256 1.614 -6.716 1.00 0.00 H new ATOM 246 N PRO A 17 -1.788 1.886 -7.457 1.00 0.00 N ATOM 247 CA PRO A 17 -3.261 1.709 -7.538 1.00 0.00 C ATOM 248 C PRO A 17 -3.631 0.498 -8.405 1.00 0.00 C ATOM 249 O PRO A 17 -4.714 0.430 -8.954 1.00 0.00 O ATOM 250 CB PRO A 17 -3.741 3.004 -8.192 1.00 0.00 C ATOM 251 CG PRO A 17 -2.564 3.502 -8.967 1.00 0.00 C ATOM 252 CD PRO A 17 -1.334 3.047 -8.233 1.00 0.00 C ATOM 0 HA PRO A 17 -3.714 1.525 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.596 2.824 -8.844 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.058 3.731 -7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.576 3.107 -9.983 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.586 4.589 -9.047 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.535 2.777 -8.923 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.944 3.832 -7.585 1.00 0.00 H new ATOM 260 N MET A 18 -2.745 -0.455 -8.536 1.00 0.00 N ATOM 261 CA MET A 18 -3.055 -1.650 -9.373 1.00 0.00 C ATOM 262 C MET A 18 -3.224 -2.887 -8.496 1.00 0.00 C ATOM 263 O MET A 18 -4.314 -3.407 -8.351 1.00 0.00 O ATOM 264 CB MET A 18 -1.846 -1.810 -10.298 1.00 0.00 C ATOM 265 CG MET A 18 -2.244 -2.610 -11.540 1.00 0.00 C ATOM 266 SD MET A 18 -3.679 -1.840 -12.334 1.00 0.00 S ATOM 267 CE MET A 18 -4.455 -3.366 -12.925 1.00 0.00 C ATOM 0 H MET A 18 -1.823 -0.457 -8.100 1.00 0.00 H new ATOM 0 HA MET A 18 -3.984 -1.530 -9.930 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.469 -0.830 -10.591 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.038 -2.318 -9.771 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.409 -2.652 -12.239 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.479 -3.637 -11.262 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.376 -3.124 -13.456 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.773 -3.883 -13.600 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.684 -4.010 -12.076 1.00 0.00 H new ATOM 277 N ALA A 19 -2.166 -3.365 -7.901 1.00 0.00 N ATOM 278 CA ALA A 19 -2.292 -4.564 -7.031 1.00 0.00 C ATOM 279 C ALA A 19 -3.332 -4.305 -5.949 1.00 0.00 C ATOM 280 O ALA A 19 -3.866 -5.221 -5.367 1.00 0.00 O ATOM 281 CB ALA A 19 -0.928 -4.737 -6.402 1.00 0.00 C ATOM 0 H ALA A 19 -1.225 -2.979 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.604 -5.449 -7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.939 -5.605 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.183 -4.884 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.678 -3.847 -5.825 1.00 0.00 H new ATOM 287 N ILE A 20 -3.631 -3.052 -5.695 1.00 0.00 N ATOM 288 CA ILE A 20 -4.654 -2.715 -4.662 1.00 0.00 C ATOM 289 C ILE A 20 -6.034 -3.107 -5.185 1.00 0.00 C ATOM 290 O ILE A 20 -6.857 -3.633 -4.465 1.00 0.00 O ATOM 291 CB ILE A 20 -4.563 -1.194 -4.466 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.220 -0.476 -5.652 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.093 -0.770 -4.359 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.386 1.005 -5.328 1.00 0.00 C ATOM 0 H ILE A 20 -3.208 -2.249 -6.161 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.489 -3.241 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.084 -0.923 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.609 -0.596 -6.546 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.191 -0.922 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.035 0.310 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.631 -1.271 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.567 -1.047 -5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.853 1.512 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.015 1.116 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.409 1.447 -5.135 1.00 0.00 H new ATOM 306 N GLU A 21 -6.278 -2.865 -6.451 1.00 0.00 N ATOM 307 CA GLU A 21 -7.587 -3.233 -7.048 1.00 0.00 C ATOM 308 C GLU A 21 -7.842 -4.715 -6.788 1.00 0.00 C ATOM 309 O GLU A 21 -8.953 -5.130 -6.532 1.00 0.00 O ATOM 310 CB GLU A 21 -7.439 -2.944 -8.547 1.00 0.00 C ATOM 311 CG GLU A 21 -8.748 -3.283 -9.270 1.00 0.00 C ATOM 312 CD GLU A 21 -9.728 -2.112 -9.145 1.00 0.00 C ATOM 313 OE1 GLU A 21 -9.298 -0.981 -9.307 1.00 0.00 O ATOM 314 OE2 GLU A 21 -10.895 -2.367 -8.893 1.00 0.00 O ATOM 0 H GLU A 21 -5.619 -2.426 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.427 -2.679 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.188 -1.895 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.620 -3.532 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.550 -3.493 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.187 -4.184 -8.842 1.00 0.00 H new ATOM 321 N VAL A 22 -6.803 -5.511 -6.819 1.00 0.00 N ATOM 322 CA VAL A 22 -6.961 -6.970 -6.541 1.00 0.00 C ATOM 323 C VAL A 22 -7.329 -7.150 -5.069 1.00 0.00 C ATOM 324 O VAL A 22 -8.231 -7.892 -4.721 1.00 0.00 O ATOM 325 CB VAL A 22 -5.588 -7.582 -6.860 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.490 -8.985 -6.250 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.416 -7.669 -8.383 1.00 0.00 C ATOM 0 H VAL A 22 -5.850 -5.212 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.745 -7.446 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.803 -6.955 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.515 -9.414 -6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.613 -8.921 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.272 -9.619 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.443 -8.103 -8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.202 -8.296 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.480 -6.670 -8.814 1.00 0.00 H new ATOM 337 N VAL A 23 -6.637 -6.453 -4.216 1.00 0.00 N ATOM 338 CA VAL A 23 -6.925 -6.525 -2.752 1.00 0.00 C ATOM 339 C VAL A 23 -8.308 -5.947 -2.480 1.00 0.00 C ATOM 340 O VAL A 23 -9.033 -6.419 -1.632 1.00 0.00 O ATOM 341 CB VAL A 23 -5.837 -5.703 -2.059 1.00 0.00 C ATOM 342 CG1 VAL A 23 -5.471 -6.400 -0.760 1.00 0.00 C ATOM 343 CG2 VAL A 23 -4.603 -5.615 -2.954 1.00 0.00 C ATOM 0 H VAL A 23 -5.873 -5.827 -4.471 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.921 -7.550 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.200 -4.694 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.695 -5.831 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.353 -6.468 -0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.102 -7.403 -0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.832 -5.028 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.225 -6.618 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.870 -5.136 -3.896 1.00 0.00 H new ATOM 353 N ASP A 24 -8.677 -4.934 -3.218 1.00 0.00 N ATOM 354 CA ASP A 24 -10.016 -4.321 -3.043 1.00 0.00 C ATOM 355 C ASP A 24 -11.082 -5.312 -3.496 1.00 0.00 C ATOM 356 O ASP A 24 -12.119 -5.458 -2.883 1.00 0.00 O ATOM 357 CB ASP A 24 -9.982 -3.089 -3.947 1.00 0.00 C ATOM 358 CG ASP A 24 -10.921 -2.022 -3.412 1.00 0.00 C ATOM 359 OD1 ASP A 24 -12.081 -2.046 -3.783 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.462 -1.193 -2.649 1.00 0.00 O ATOM 0 H ASP A 24 -8.099 -4.504 -3.940 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.248 -4.057 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.967 -2.696 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.272 -3.364 -4.961 1.00 0.00 H new ATOM 365 N GLU A 25 -10.812 -5.995 -4.575 1.00 0.00 N ATOM 366 CA GLU A 25 -11.771 -6.995 -5.118 1.00 0.00 C ATOM 367 C GLU A 25 -12.069 -8.069 -4.072 1.00 0.00 C ATOM 368 O GLU A 25 -13.209 -8.429 -3.840 1.00 0.00 O ATOM 369 CB GLU A 25 -11.044 -7.593 -6.326 1.00 0.00 C ATOM 370 CG GLU A 25 -11.799 -7.237 -7.609 1.00 0.00 C ATOM 371 CD GLU A 25 -12.799 -8.347 -7.940 1.00 0.00 C ATOM 372 OE1 GLU A 25 -12.465 -9.502 -7.730 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.882 -8.023 -8.400 1.00 0.00 O ATOM 0 H GLU A 25 -9.950 -5.899 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.732 -6.557 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.024 -7.211 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.975 -8.676 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.321 -6.288 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.097 -7.109 -8.433 1.00 0.00 H new ATOM 380 N ALA A 26 -11.045 -8.585 -3.450 1.00 0.00 N ATOM 381 CA ALA A 26 -11.250 -9.641 -2.417 1.00 0.00 C ATOM 382 C ALA A 26 -11.741 -9.032 -1.103 1.00 0.00 C ATOM 383 O ALA A 26 -12.574 -9.595 -0.423 1.00 0.00 O ATOM 384 CB ALA A 26 -9.880 -10.282 -2.224 1.00 0.00 C ATOM 0 H ALA A 26 -10.073 -8.321 -3.612 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.004 -10.365 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.950 -11.072 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.541 -10.706 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.169 -9.527 -1.889 1.00 0.00 H new ATOM 390 N LYS A 27 -11.232 -7.883 -0.728 1.00 0.00 N ATOM 391 CA LYS A 27 -11.678 -7.278 0.562 1.00 0.00 C ATOM 392 C LYS A 27 -13.070 -6.696 0.406 1.00 0.00 C ATOM 393 O LYS A 27 -13.778 -6.481 1.369 1.00 0.00 O ATOM 394 CB LYS A 27 -10.669 -6.176 0.840 1.00 0.00 C ATOM 395 CG LYS A 27 -9.550 -6.698 1.736 1.00 0.00 C ATOM 396 CD LYS A 27 -8.698 -7.733 0.979 1.00 0.00 C ATOM 397 CE LYS A 27 -9.462 -9.048 0.843 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.495 -10.102 1.237 1.00 0.00 N ATOM 0 H LYS A 27 -10.539 -7.347 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.724 -8.005 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.252 -5.810 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.165 -5.332 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.922 -5.870 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.974 -7.151 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.440 -7.350 -0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.761 -7.902 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.342 -9.061 1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.812 -9.196 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.006 -10.987 1.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.816 -10.256 0.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.984 -9.803 2.092 1.00 0.00 H new ATOM 412 N LYS A 28 -13.489 -6.500 -0.809 1.00 0.00 N ATOM 413 CA LYS A 28 -14.863 -6.005 -1.045 1.00 0.00 C ATOM 414 C LYS A 28 -15.789 -7.169 -0.752 1.00 0.00 C ATOM 415 O LYS A 28 -16.775 -7.040 -0.061 1.00 0.00 O ATOM 416 CB LYS A 28 -14.928 -5.654 -2.529 1.00 0.00 C ATOM 417 CG LYS A 28 -15.195 -4.162 -2.704 1.00 0.00 C ATOM 418 CD LYS A 28 -14.018 -3.521 -3.437 1.00 0.00 C ATOM 419 CE LYS A 28 -13.743 -4.262 -4.750 1.00 0.00 C ATOM 420 NZ LYS A 28 -14.708 -3.692 -5.724 1.00 0.00 N ATOM 0 H LYS A 28 -12.935 -6.663 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.135 -5.144 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.990 -5.923 -3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.716 -6.231 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.116 -4.009 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.334 -3.689 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.235 -2.473 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.130 -3.545 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.715 -4.112 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.887 -5.336 -4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.580 -4.151 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.678 -3.856 -5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.542 -2.670 -5.819 1.00 0.00 H new ATOM 434 N GLU A 29 -15.429 -8.324 -1.261 1.00 0.00 N ATOM 435 CA GLU A 29 -16.237 -9.554 -1.037 1.00 0.00 C ATOM 436 C GLU A 29 -16.612 -9.672 0.436 1.00 0.00 C ATOM 437 O GLU A 29 -17.692 -10.095 0.794 1.00 0.00 O ATOM 438 CB GLU A 29 -15.284 -10.693 -1.438 1.00 0.00 C ATOM 439 CG GLU A 29 -14.781 -11.449 -0.196 1.00 0.00 C ATOM 440 CD GLU A 29 -15.884 -12.371 0.341 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.045 -12.039 0.172 1.00 0.00 O ATOM 442 OE2 GLU A 29 -15.546 -13.393 0.916 1.00 0.00 O ATOM 0 H GLU A 29 -14.595 -8.463 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.169 -9.563 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.797 -11.384 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.436 -10.286 -1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.898 -12.035 -0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.482 -10.739 0.575 1.00 0.00 H new ATOM 449 N PHE A 30 -15.708 -9.288 1.286 1.00 0.00 N ATOM 450 CA PHE A 30 -15.958 -9.348 2.733 1.00 0.00 C ATOM 451 C PHE A 30 -16.397 -7.957 3.149 1.00 0.00 C ATOM 452 O PHE A 30 -17.554 -7.737 3.477 1.00 0.00 O ATOM 453 CB PHE A 30 -14.592 -9.737 3.384 1.00 0.00 C ATOM 454 CG PHE A 30 -14.159 -8.676 4.381 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.987 -8.354 5.468 1.00 0.00 C ATOM 456 CD2 PHE A 30 -12.951 -7.981 4.195 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.615 -7.339 6.360 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.576 -6.973 5.093 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.411 -6.650 6.173 1.00 0.00 C ATOM 0 H PHE A 30 -14.790 -8.929 1.026 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.722 -10.066 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.682 -10.701 3.885 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.832 -9.850 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.913 -8.890 5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.312 -8.224 3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.257 -7.089 7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.644 -6.445 4.954 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.124 -5.869 6.861 1.00 0.00 H new ATOM 469 N GLY A 31 -15.502 -6.993 3.094 1.00 0.00 N ATOM 470 CA GLY A 31 -15.934 -5.614 3.431 1.00 0.00 C ATOM 471 C GLY A 31 -16.557 -4.934 2.193 1.00 0.00 C ATOM 472 O GLY A 31 -15.866 -4.194 1.495 1.00 0.00 O ATOM 0 H GLY A 31 -14.521 -7.105 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.659 -5.641 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.081 -5.034 3.783 1.00 0.00 H new ATOM 476 N ASP A 32 -17.830 -5.034 1.926 1.00 0.00 N ATOM 477 CA ASP A 32 -18.384 -4.269 0.742 1.00 0.00 C ATOM 478 C ASP A 32 -17.749 -2.853 0.661 1.00 0.00 C ATOM 479 O ASP A 32 -17.625 -2.268 -0.400 1.00 0.00 O ATOM 480 CB ASP A 32 -19.885 -4.186 1.046 1.00 0.00 C ATOM 481 CG ASP A 32 -20.421 -2.796 0.705 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.526 -2.488 -0.469 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.725 -2.056 1.633 1.00 0.00 O ATOM 0 H ASP A 32 -18.504 -5.591 2.451 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.173 -4.744 -0.216 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.421 -4.941 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.062 -4.403 2.100 1.00 0.00 H new ATOM 488 N LYS A 33 -17.345 -2.328 1.788 1.00 0.00 N ATOM 489 CA LYS A 33 -16.692 -0.970 1.861 1.00 0.00 C ATOM 490 C LYS A 33 -15.208 -1.049 1.490 1.00 0.00 C ATOM 491 O LYS A 33 -14.572 -2.062 1.695 1.00 0.00 O ATOM 492 CB LYS A 33 -16.867 -0.501 3.294 1.00 0.00 C ATOM 493 CG LYS A 33 -18.243 -0.932 3.792 1.00 0.00 C ATOM 494 CD LYS A 33 -18.236 -0.994 5.312 1.00 0.00 C ATOM 495 CE LYS A 33 -18.382 -2.450 5.758 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.802 -2.811 5.477 1.00 0.00 N ATOM 0 H LYS A 33 -17.440 -2.792 2.691 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.147 -0.275 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.088 -0.925 3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.769 0.583 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -19.002 -0.229 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.502 -1.907 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.308 -0.574 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.052 -0.394 5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.697 -3.098 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.151 -2.561 6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.173 -3.393 6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.370 -1.944 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.854 -3.348 4.588 1.00 0.00 H new ATOM 510 N ILE A 34 -14.638 0.005 0.962 1.00 0.00 N ATOM 511 CA ILE A 34 -13.191 -0.058 0.617 1.00 0.00 C ATOM 512 C ILE A 34 -12.464 1.154 1.188 1.00 0.00 C ATOM 513 O ILE A 34 -13.044 2.200 1.396 1.00 0.00 O ATOM 514 CB ILE A 34 -13.149 -0.034 -0.919 1.00 0.00 C ATOM 515 CG1 ILE A 34 -13.025 -1.461 -1.456 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.945 0.788 -1.410 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.755 -2.449 -0.544 1.00 0.00 C ATOM 0 H ILE A 34 -15.104 0.889 0.759 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.705 -0.944 1.025 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.070 0.422 -1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.440 -1.513 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.973 -1.736 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.930 0.795 -2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.028 1.810 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.023 0.342 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.654 -3.457 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.321 -2.411 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.811 -2.184 -0.492 1.00 0.00 H new ATOM 529 N ASP A 35 -11.187 1.015 1.422 1.00 0.00 N ATOM 530 CA ASP A 35 -10.388 2.144 1.968 1.00 0.00 C ATOM 531 C ASP A 35 -8.950 1.982 1.493 1.00 0.00 C ATOM 532 O ASP A 35 -8.092 1.524 2.221 1.00 0.00 O ATOM 533 CB ASP A 35 -10.480 2.007 3.499 1.00 0.00 C ATOM 534 CG ASP A 35 -9.472 2.942 4.191 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.625 3.491 3.507 1.00 0.00 O ATOM 536 OD2 ASP A 35 -9.566 3.090 5.404 1.00 0.00 O ATOM 0 H ASP A 35 -10.660 0.158 1.256 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.744 3.122 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.491 2.245 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.284 0.975 3.789 1.00 0.00 H new ATOM 541 N VAL A 36 -8.654 2.374 0.297 1.00 0.00 N ATOM 542 CA VAL A 36 -7.267 2.213 -0.169 1.00 0.00 C ATOM 543 C VAL A 36 -6.581 3.552 0.037 1.00 0.00 C ATOM 544 O VAL A 36 -7.074 4.582 -0.371 1.00 0.00 O ATOM 545 CB VAL A 36 -7.401 1.891 -1.675 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.041 1.983 -2.381 1.00 0.00 C ATOM 547 CG2 VAL A 36 -7.982 0.482 -1.877 1.00 0.00 C ATOM 0 H VAL A 36 -9.303 2.793 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.697 1.440 0.346 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.077 2.627 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.164 1.752 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.643 2.992 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.349 1.270 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.069 0.274 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.322 -0.253 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -8.968 0.425 -1.415 1.00 0.00 H new ATOM 557 N GLU A 37 -5.434 3.539 0.672 1.00 0.00 N ATOM 558 CA GLU A 37 -4.721 4.808 0.938 1.00 0.00 C ATOM 559 C GLU A 37 -3.498 4.843 0.039 1.00 0.00 C ATOM 560 O GLU A 37 -2.922 3.835 -0.281 1.00 0.00 O ATOM 561 CB GLU A 37 -4.282 4.725 2.416 1.00 0.00 C ATOM 562 CG GLU A 37 -5.485 4.782 3.375 1.00 0.00 C ATOM 563 CD GLU A 37 -5.121 5.619 4.614 1.00 0.00 C ATOM 564 OE1 GLU A 37 -4.406 6.596 4.458 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.562 5.264 5.698 1.00 0.00 O ATOM 0 H GLU A 37 -4.968 2.699 1.014 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.328 5.694 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.731 3.799 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.600 5.546 2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.346 5.219 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.771 3.774 3.676 1.00 0.00 H new ATOM 572 N LYS A 38 -3.151 6.023 -0.398 1.00 0.00 N ATOM 573 CA LYS A 38 -2.025 6.181 -1.379 1.00 0.00 C ATOM 574 C LYS A 38 -1.179 7.422 -1.118 1.00 0.00 C ATOM 575 O LYS A 38 -1.612 8.552 -1.266 1.00 0.00 O ATOM 576 CB LYS A 38 -2.701 6.278 -2.755 1.00 0.00 C ATOM 577 CG LYS A 38 -3.716 7.410 -2.779 1.00 0.00 C ATOM 578 CD LYS A 38 -4.944 6.993 -1.977 1.00 0.00 C ATOM 579 CE LYS A 38 -6.189 7.173 -2.826 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.221 6.320 -2.174 1.00 0.00 N ATOM 0 H LYS A 38 -3.600 6.895 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.334 5.341 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.947 6.443 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.195 5.335 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.280 8.315 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.998 7.641 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.851 5.953 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.020 7.593 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.500 8.217 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.013 6.864 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.775 5.827 -2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.756 5.621 -1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.853 6.916 -1.602 1.00 0.00 H new ATOM 594 N ILE A 39 0.039 7.217 -0.718 1.00 0.00 N ATOM 595 CA ILE A 39 0.927 8.367 -0.434 1.00 0.00 C ATOM 596 C ILE A 39 2.078 8.472 -1.439 1.00 0.00 C ATOM 597 O ILE A 39 2.391 7.546 -2.155 1.00 0.00 O ATOM 598 CB ILE A 39 1.455 8.110 0.962 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.852 6.801 1.493 1.00 0.00 C ATOM 600 CG2 ILE A 39 1.059 9.286 1.851 1.00 0.00 C ATOM 601 CD1 ILE A 39 0.890 6.798 3.012 1.00 0.00 C ATOM 0 H ILE A 39 0.458 6.298 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 39 0.389 9.312 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 39 2.541 8.015 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.176 6.696 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.409 5.949 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.431 9.119 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.490 10.205 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.027 9.375 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.461 5.868 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.923 6.883 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.313 7.641 3.392 1.00 0.00 H new ATOM 613 N ASP A 40 2.725 9.607 -1.476 1.00 0.00 N ATOM 614 CA ASP A 40 3.873 9.781 -2.417 1.00 0.00 C ATOM 615 C ASP A 40 5.192 9.510 -1.674 1.00 0.00 C ATOM 616 O ASP A 40 5.250 9.500 -0.461 1.00 0.00 O ATOM 617 CB ASP A 40 3.788 11.249 -2.874 1.00 0.00 C ATOM 618 CG ASP A 40 5.089 12.008 -2.559 1.00 0.00 C ATOM 619 OD1 ASP A 40 6.149 11.480 -2.839 1.00 0.00 O ATOM 620 OD2 ASP A 40 4.993 13.123 -2.071 1.00 0.00 O ATOM 0 H ASP A 40 2.510 10.419 -0.898 1.00 0.00 H new ATOM 0 HA ASP A 40 3.837 9.095 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.592 11.288 -3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.950 11.739 -2.379 1.00 0.00 H new ATOM 625 N ILE A 41 6.248 9.266 -2.402 1.00 0.00 N ATOM 626 CA ILE A 41 7.560 8.982 -1.752 1.00 0.00 C ATOM 627 C ILE A 41 8.144 10.225 -1.094 1.00 0.00 C ATOM 628 O ILE A 41 8.715 10.152 -0.030 1.00 0.00 O ATOM 629 CB ILE A 41 8.467 8.508 -2.885 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.898 8.383 -2.367 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.436 9.516 -4.044 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.875 8.477 -3.543 1.00 0.00 C ATOM 0 H ILE A 41 6.259 9.251 -3.422 1.00 0.00 H new ATOM 0 HA ILE A 41 7.456 8.242 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 41 8.114 7.541 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.105 9.172 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.027 7.433 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.086 9.168 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.416 9.609 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.783 10.487 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.897 8.388 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.672 7.672 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.752 9.438 -4.043 1.00 0.00 H new ATOM 644 N MET A 42 8.022 11.363 -1.710 1.00 0.00 N ATOM 645 CA MET A 42 8.589 12.588 -1.086 1.00 0.00 C ATOM 646 C MET A 42 7.641 13.148 -0.012 1.00 0.00 C ATOM 647 O MET A 42 7.958 14.111 0.659 1.00 0.00 O ATOM 648 CB MET A 42 8.714 13.573 -2.251 1.00 0.00 C ATOM 649 CG MET A 42 7.419 14.389 -2.394 1.00 0.00 C ATOM 650 SD MET A 42 7.738 15.862 -3.391 1.00 0.00 S ATOM 651 CE MET A 42 8.658 16.783 -2.138 1.00 0.00 C ATOM 0 H MET A 42 7.560 11.499 -2.609 1.00 0.00 H new ATOM 0 HA MET A 42 9.539 12.397 -0.586 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.558 14.242 -2.083 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.916 13.032 -3.175 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.644 13.782 -2.862 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.048 14.677 -1.410 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.163 17.735 -1.950 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.695 16.204 -1.215 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.672 16.966 -2.492 1.00 0.00 H new ATOM 661 N VAL A 43 6.493 12.544 0.172 1.00 0.00 N ATOM 662 CA VAL A 43 5.530 13.053 1.200 1.00 0.00 C ATOM 663 C VAL A 43 5.389 12.038 2.328 1.00 0.00 C ATOM 664 O VAL A 43 5.400 12.387 3.493 1.00 0.00 O ATOM 665 CB VAL A 43 4.192 13.229 0.462 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.692 11.878 -0.033 1.00 0.00 C ATOM 667 CG2 VAL A 43 3.145 13.817 1.404 1.00 0.00 C ATOM 0 H VAL A 43 6.180 11.721 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 43 5.865 13.989 1.647 1.00 0.00 H new ATOM 0 HB VAL A 43 4.350 13.902 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.744 12.010 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.425 11.446 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.549 11.210 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.202 13.937 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.000 13.146 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.484 14.788 1.764 1.00 0.00 H new ATOM 677 N ASP A 44 5.258 10.790 1.996 1.00 0.00 N ATOM 678 CA ASP A 44 5.118 9.758 3.044 1.00 0.00 C ATOM 679 C ASP A 44 6.408 8.955 3.127 1.00 0.00 C ATOM 680 O ASP A 44 6.404 7.740 3.062 1.00 0.00 O ATOM 681 CB ASP A 44 3.960 8.880 2.566 1.00 0.00 C ATOM 682 CG ASP A 44 3.941 7.553 3.320 1.00 0.00 C ATOM 683 OD1 ASP A 44 3.407 7.539 4.413 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.444 6.574 2.792 1.00 0.00 O ATOM 0 H ASP A 44 5.242 10.441 1.038 1.00 0.00 H new ATOM 0 HA ASP A 44 4.928 10.171 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.015 9.403 2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.055 8.695 1.496 1.00 0.00 H new ATOM 689 N ARG A 45 7.539 9.594 3.259 1.00 0.00 N ATOM 690 CA ARG A 45 8.807 8.810 3.321 1.00 0.00 C ATOM 691 C ARG A 45 8.827 7.935 4.564 1.00 0.00 C ATOM 692 O ARG A 45 9.746 7.179 4.802 1.00 0.00 O ATOM 693 CB ARG A 45 9.882 9.872 3.427 1.00 0.00 C ATOM 694 CG ARG A 45 9.929 10.347 4.888 1.00 0.00 C ATOM 695 CD ARG A 45 9.539 11.824 4.990 1.00 0.00 C ATOM 696 NE ARG A 45 9.445 12.106 6.460 1.00 0.00 N ATOM 697 CZ ARG A 45 10.517 12.079 7.216 1.00 0.00 C ATOM 698 NH1 ARG A 45 11.706 12.008 6.672 1.00 0.00 N ATOM 699 NH2 ARG A 45 10.401 12.122 8.516 1.00 0.00 N ATOM 0 H ARG A 45 7.641 10.607 3.326 1.00 0.00 H new ATOM 0 HA ARG A 45 8.936 8.150 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.849 9.469 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.662 10.706 2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.252 9.744 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.931 10.202 5.291 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.284 12.462 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.589 12.016 4.491 1.00 0.00 H new ATOM 0 HE ARG A 45 8.539 12.321 6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.801 11.973 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.537 11.987 7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.477 12.177 8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.235 12.101 9.103 1.00 0.00 H new ATOM 713 N GLU A 46 7.798 8.045 5.350 1.00 0.00 N ATOM 714 CA GLU A 46 7.680 7.222 6.571 1.00 0.00 C ATOM 715 C GLU A 46 7.776 5.749 6.179 1.00 0.00 C ATOM 716 O GLU A 46 8.090 4.905 6.978 1.00 0.00 O ATOM 717 CB GLU A 46 6.312 7.550 7.181 1.00 0.00 C ATOM 718 CG GLU A 46 5.212 7.234 6.180 1.00 0.00 C ATOM 719 CD GLU A 46 3.849 7.447 6.846 1.00 0.00 C ATOM 720 OE1 GLU A 46 3.369 8.568 6.815 1.00 0.00 O ATOM 721 OE2 GLU A 46 3.311 6.485 7.362 1.00 0.00 O ATOM 0 H GLU A 46 7.020 8.685 5.191 1.00 0.00 H new ATOM 0 HA GLU A 46 8.470 7.426 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.163 6.973 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.271 8.603 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.306 7.875 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.304 6.205 5.833 1.00 0.00 H new ATOM 728 N LYS A 47 7.508 5.409 4.937 1.00 0.00 N ATOM 729 CA LYS A 47 7.608 3.979 4.527 1.00 0.00 C ATOM 730 C LYS A 47 8.913 3.414 5.049 1.00 0.00 C ATOM 731 O LYS A 47 8.922 2.504 5.862 1.00 0.00 O ATOM 732 CB LYS A 47 7.616 4.023 2.993 1.00 0.00 C ATOM 733 CG LYS A 47 8.714 3.117 2.447 1.00 0.00 C ATOM 734 CD LYS A 47 8.461 1.682 2.918 1.00 0.00 C ATOM 735 CE LYS A 47 9.757 0.901 2.853 1.00 0.00 C ATOM 736 NZ LYS A 47 9.635 -0.146 3.909 1.00 0.00 N ATOM 0 H LYS A 47 7.228 6.057 4.200 1.00 0.00 H new ATOM 0 HA LYS A 47 6.799 3.357 4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.647 3.706 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.775 5.046 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.728 3.158 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.690 3.459 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.074 1.684 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.705 1.209 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.898 0.454 1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.616 1.547 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.984 -1.053 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.198 0.130 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.637 -0.246 4.185 1.00 0.00 H new ATOM 750 N ALA A 48 9.992 3.947 4.554 1.00 0.00 N ATOM 751 CA ALA A 48 11.320 3.452 4.967 1.00 0.00 C ATOM 752 C ALA A 48 11.532 3.650 6.465 1.00 0.00 C ATOM 753 O ALA A 48 12.462 3.129 7.008 1.00 0.00 O ATOM 754 CB ALA A 48 12.344 4.210 4.126 1.00 0.00 C ATOM 0 H ALA A 48 10.005 4.709 3.877 1.00 0.00 H new ATOM 0 HA ALA A 48 11.420 2.380 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.349 3.881 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.165 4.012 3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.250 5.279 4.315 1.00 0.00 H new ATOM 760 N ILE A 49 10.640 4.307 7.182 1.00 0.00 N ATOM 761 CA ILE A 49 10.841 4.419 8.657 1.00 0.00 C ATOM 762 C ILE A 49 11.680 3.224 9.080 1.00 0.00 C ATOM 763 O ILE A 49 12.620 3.325 9.845 1.00 0.00 O ATOM 764 CB ILE A 49 9.444 4.385 9.319 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.567 3.284 8.695 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.787 5.755 9.144 1.00 0.00 C ATOM 767 CD1 ILE A 49 7.080 3.540 8.967 1.00 0.00 C ATOM 0 H ILE A 49 9.803 4.758 6.814 1.00 0.00 H new ATOM 0 HA ILE A 49 11.347 5.339 8.950 1.00 0.00 H new ATOM 0 HB ILE A 49 9.551 4.158 10.380 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.741 3.242 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.852 2.314 9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.800 5.747 9.606 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.404 6.518 9.619 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.688 5.978 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.485 2.746 8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.904 3.556 10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.791 4.499 8.538 1.00 0.00 H new ATOM 779 N GLU A 50 11.356 2.098 8.516 1.00 0.00 N ATOM 780 CA GLU A 50 12.116 0.838 8.774 1.00 0.00 C ATOM 781 C GLU A 50 13.611 1.091 8.523 1.00 0.00 C ATOM 782 O GLU A 50 14.452 0.831 9.363 1.00 0.00 O ATOM 783 CB GLU A 50 11.535 -0.167 7.759 1.00 0.00 C ATOM 784 CG GLU A 50 10.150 -0.636 8.225 1.00 0.00 C ATOM 785 CD GLU A 50 9.116 0.426 7.872 1.00 0.00 C ATOM 786 OE1 GLU A 50 9.513 1.449 7.349 1.00 0.00 O ATOM 787 OE2 GLU A 50 7.950 0.203 8.134 1.00 0.00 O ATOM 0 H GLU A 50 10.575 1.992 7.868 1.00 0.00 H new ATOM 0 HA GLU A 50 12.026 0.472 9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.460 0.298 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.203 -1.022 7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.894 -1.582 7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.155 -0.812 9.301 1.00 0.00 H new ATOM 794 N TYR A 51 13.943 1.622 7.363 1.00 0.00 N ATOM 795 CA TYR A 51 15.376 1.938 7.034 1.00 0.00 C ATOM 796 C TYR A 51 15.526 3.427 6.660 1.00 0.00 C ATOM 797 O TYR A 51 16.541 4.032 6.933 1.00 0.00 O ATOM 798 CB TYR A 51 15.749 1.038 5.839 1.00 0.00 C ATOM 799 CG TYR A 51 14.747 1.189 4.714 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.442 0.726 4.875 1.00 0.00 C ATOM 801 CD2 TYR A 51 15.126 1.797 3.508 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.515 0.874 3.845 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.194 1.942 2.474 1.00 0.00 C ATOM 804 CZ TYR A 51 12.890 1.486 2.641 1.00 0.00 C ATOM 805 OH TYR A 51 11.970 1.636 1.614 1.00 0.00 O ATOM 0 H TYR A 51 13.277 1.851 6.626 1.00 0.00 H new ATOM 0 HA TYR A 51 16.031 1.755 7.886 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.745 1.297 5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.786 -0.003 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.149 0.252 5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.137 2.153 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.504 0.516 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.487 2.408 1.545 1.00 0.00 H new ATOM 0 HH TYR A 51 12.439 1.644 0.753 1.00 0.00 H new ATOM 815 N GLY A 52 14.520 4.017 6.063 1.00 0.00 N ATOM 816 CA GLY A 52 14.573 5.481 5.663 1.00 0.00 C ATOM 817 C GLY A 52 15.906 5.839 4.980 1.00 0.00 C ATOM 818 O GLY A 52 16.162 6.979 4.615 1.00 0.00 O ATOM 0 H GLY A 52 13.645 3.548 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.747 5.703 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.438 6.104 6.547 1.00 0.00 H new ATOM 822 N LEU A 53 16.716 4.842 4.778 1.00 0.00 N ATOM 823 CA LEU A 53 18.002 4.996 4.040 1.00 0.00 C ATOM 824 C LEU A 53 17.671 5.113 2.566 1.00 0.00 C ATOM 825 O LEU A 53 17.571 6.205 2.024 1.00 0.00 O ATOM 826 CB LEU A 53 18.895 3.787 4.404 1.00 0.00 C ATOM 827 CG LEU A 53 19.213 3.886 5.905 1.00 0.00 C ATOM 828 CD1 LEU A 53 19.403 2.495 6.481 1.00 0.00 C ATOM 829 CD2 LEU A 53 20.488 4.725 6.134 1.00 0.00 C ATOM 0 H LEU A 53 16.535 3.893 5.105 1.00 0.00 H new ATOM 0 HA LEU A 53 18.561 5.892 4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.383 2.851 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.813 3.797 3.816 1.00 0.00 H new ATOM 0 HG LEU A 53 18.379 4.376 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.628 2.569 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.490 1.916 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 53 20.228 1.999 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 53 20.698 4.784 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 53 21.329 4.255 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 53 20.339 5.729 5.737 1.00 0.00 H new ATOM 841 N MET A 54 17.447 3.989 1.947 1.00 0.00 N ATOM 842 CA MET A 54 17.076 3.951 0.515 1.00 0.00 C ATOM 843 C MET A 54 15.550 3.927 0.406 1.00 0.00 C ATOM 844 O MET A 54 14.956 2.952 -0.043 1.00 0.00 O ATOM 845 CB MET A 54 17.650 2.607 0.052 1.00 0.00 C ATOM 846 CG MET A 54 19.167 2.715 0.005 1.00 0.00 C ATOM 847 SD MET A 54 19.712 2.798 -1.717 1.00 0.00 S ATOM 848 CE MET A 54 20.840 1.390 -1.648 1.00 0.00 C ATOM 0 H MET A 54 17.509 3.073 2.391 1.00 0.00 H new ATOM 0 HA MET A 54 17.440 4.798 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 54 17.349 1.812 0.734 1.00 0.00 H new ATOM 0 HB3 MET A 54 17.259 2.348 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 54 19.496 3.603 0.545 1.00 0.00 H new ATOM 0 HG3 MET A 54 19.619 1.855 0.500 1.00 0.00 H new ATOM 0 HE1 MET A 54 21.304 1.247 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 54 21.613 1.579 -0.903 1.00 0.00 H new ATOM 0 HE3 MET A 54 20.285 0.492 -1.376 1.00 0.00 H new ATOM 858 N ALA A 55 14.875 4.986 0.793 1.00 0.00 N ATOM 859 CA ALA A 55 13.391 4.952 0.720 1.00 0.00 C ATOM 860 C ALA A 55 12.906 5.827 -0.408 1.00 0.00 C ATOM 861 O ALA A 55 13.090 7.026 -0.398 1.00 0.00 O ATOM 862 CB ALA A 55 12.964 5.593 2.037 1.00 0.00 C ATOM 0 H ALA A 55 15.283 5.851 1.148 1.00 0.00 H new ATOM 0 HA ALA A 55 13.001 3.947 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.876 5.621 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.355 5.008 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.356 6.609 2.091 1.00 0.00 H new ATOM 868 N VAL A 56 12.263 5.209 -1.368 1.00 0.00 N ATOM 869 CA VAL A 56 11.740 5.964 -2.542 1.00 0.00 C ATOM 870 C VAL A 56 10.462 5.313 -3.092 1.00 0.00 C ATOM 871 O VAL A 56 9.402 5.906 -3.012 1.00 0.00 O ATOM 872 CB VAL A 56 12.862 5.947 -3.586 1.00 0.00 C ATOM 873 CG1 VAL A 56 12.256 5.952 -5.004 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.738 7.184 -3.405 1.00 0.00 C ATOM 0 H VAL A 56 12.078 4.206 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 56 11.468 6.984 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 56 13.463 5.047 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.058 5.940 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.629 5.070 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.652 6.850 -5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.537 7.175 -4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.132 8.081 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.171 7.180 -2.405 1.00 0.00 H new ATOM 884 N PRO A 57 10.553 4.094 -3.578 1.00 0.00 N ATOM 885 CA PRO A 57 9.329 3.428 -4.037 1.00 0.00 C ATOM 886 C PRO A 57 8.967 2.317 -3.082 1.00 0.00 C ATOM 887 O PRO A 57 9.701 1.372 -2.894 1.00 0.00 O ATOM 888 CB PRO A 57 9.825 2.759 -5.315 1.00 0.00 C ATOM 889 CG PRO A 57 11.310 2.535 -5.105 1.00 0.00 C ATOM 890 CD PRO A 57 11.742 3.296 -3.868 1.00 0.00 C ATOM 0 HA PRO A 57 8.475 4.098 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.307 1.816 -5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.642 3.390 -6.185 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.520 1.472 -4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.871 2.877 -5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.997 2.628 -3.045 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.617 3.919 -4.056 1.00 0.00 H new ATOM 898 N ALA A 58 7.822 2.464 -2.471 1.00 0.00 N ATOM 899 CA ALA A 58 7.352 1.478 -1.474 1.00 0.00 C ATOM 900 C ALA A 58 5.853 1.620 -1.204 1.00 0.00 C ATOM 901 O ALA A 58 5.173 2.485 -1.724 1.00 0.00 O ATOM 902 CB ALA A 58 8.141 1.830 -0.225 1.00 0.00 C ATOM 0 H ALA A 58 7.185 3.245 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 58 7.500 0.452 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.865 1.152 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.207 1.736 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.917 2.855 0.070 1.00 0.00 H new ATOM 908 N ILE A 59 5.339 0.780 -0.367 1.00 0.00 N ATOM 909 CA ILE A 59 3.900 0.842 -0.034 1.00 0.00 C ATOM 910 C ILE A 59 3.764 0.534 1.427 1.00 0.00 C ATOM 911 O ILE A 59 4.556 -0.217 1.979 1.00 0.00 O ATOM 912 CB ILE A 59 3.288 -0.264 -0.890 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.045 0.272 -2.315 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.970 -0.731 -0.273 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.928 -0.481 -3.317 1.00 0.00 C ATOM 0 H ILE A 59 5.860 0.043 0.108 1.00 0.00 H new ATOM 0 HA ILE A 59 3.423 1.804 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 59 3.972 -1.111 -0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.995 0.154 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.266 1.339 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.539 -1.520 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.154 -1.114 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.276 0.108 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.749 -0.096 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.977 -0.340 -3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.686 -1.544 -3.288 1.00 0.00 H new ATOM 927 N ALA A 60 2.762 1.012 2.093 1.00 0.00 N ATOM 928 CA ALA A 60 2.689 0.671 3.520 1.00 0.00 C ATOM 929 C ALA A 60 1.874 -0.561 3.552 1.00 0.00 C ATOM 930 O ALA A 60 1.143 -0.839 2.610 1.00 0.00 O ATOM 931 CB ALA A 60 1.926 1.861 4.148 1.00 0.00 C ATOM 0 H ALA A 60 2.017 1.603 1.725 1.00 0.00 H new ATOM 0 HA ALA A 60 3.635 0.512 4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.819 1.699 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.482 2.782 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.939 1.941 3.693 1.00 0.00 H new ATOM 937 N ILE A 61 2.006 -1.333 4.564 1.00 0.00 N ATOM 938 CA ILE A 61 1.289 -2.575 4.562 1.00 0.00 C ATOM 939 C ILE A 61 0.130 -2.352 5.454 1.00 0.00 C ATOM 940 O ILE A 61 0.223 -2.502 6.650 1.00 0.00 O ATOM 941 CB ILE A 61 2.274 -3.593 5.176 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.748 -3.247 4.859 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.005 -5.051 4.773 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.650 -4.501 4.950 1.00 0.00 C ATOM 0 H ILE A 61 2.581 -1.147 5.386 1.00 0.00 H new ATOM 0 HA ILE A 61 0.944 -2.922 3.588 1.00 0.00 H new ATOM 0 HB ILE A 61 2.101 -3.511 6.249 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.817 -2.818 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.104 -2.488 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.741 -5.701 5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.005 -5.339 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.078 -5.149 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.680 -4.226 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.599 -4.913 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.307 -5.248 4.234 1.00 0.00 H new ATOM 956 N ASN A 62 -0.936 -1.937 4.844 1.00 0.00 N ATOM 957 CA ASN A 62 -2.152 -1.595 5.572 1.00 0.00 C ATOM 958 C ASN A 62 -2.529 -2.809 6.363 1.00 0.00 C ATOM 959 O ASN A 62 -3.275 -3.651 5.930 1.00 0.00 O ATOM 960 CB ASN A 62 -3.170 -1.264 4.472 1.00 0.00 C ATOM 961 CG ASN A 62 -3.559 0.234 4.528 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.634 0.615 4.120 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.723 1.110 5.012 1.00 0.00 N ATOM 0 H ASN A 62 -1.004 -1.821 3.833 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.070 -0.758 6.266 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.749 -1.500 3.495 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.060 -1.882 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.979 2.097 5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.813 0.808 5.360 1.00 0.00 H new ATOM 970 N GLY A 63 -1.945 -2.899 7.510 1.00 0.00 N ATOM 971 CA GLY A 63 -2.165 -4.063 8.390 1.00 0.00 C ATOM 972 C GLY A 63 -1.032 -4.111 9.399 1.00 0.00 C ATOM 973 O GLY A 63 -1.240 -4.345 10.571 1.00 0.00 O ATOM 0 H GLY A 63 -1.307 -2.197 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.125 -3.979 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.193 -4.982 7.805 1.00 0.00 H new ATOM 977 N VAL A 64 0.168 -3.882 8.939 1.00 0.00 N ATOM 978 CA VAL A 64 1.334 -3.906 9.856 1.00 0.00 C ATOM 979 C VAL A 64 2.148 -2.605 9.739 1.00 0.00 C ATOM 980 O VAL A 64 2.280 -1.889 10.711 1.00 0.00 O ATOM 981 CB VAL A 64 2.155 -5.146 9.448 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.251 -6.376 9.496 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.697 -4.993 8.024 1.00 0.00 C ATOM 0 H VAL A 64 0.388 -3.679 7.964 1.00 0.00 H new ATOM 0 HA VAL A 64 1.034 -3.969 10.902 1.00 0.00 H new ATOM 0 HB VAL A 64 2.993 -5.253 10.137 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.822 -7.259 9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.866 -6.506 10.508 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.418 -6.243 8.806 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.273 -5.879 7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.866 -4.877 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.339 -4.114 7.972 1.00 0.00 H new ATOM 993 N VAL A 65 2.694 -2.279 8.580 1.00 0.00 N ATOM 994 CA VAL A 65 3.507 -1.018 8.475 1.00 0.00 C ATOM 995 C VAL A 65 3.727 -0.576 7.015 1.00 0.00 C ATOM 996 O VAL A 65 2.875 0.044 6.414 1.00 0.00 O ATOM 997 CB VAL A 65 4.859 -1.363 9.109 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.759 -0.132 9.076 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.675 -1.798 10.563 1.00 0.00 C ATOM 0 H VAL A 65 2.613 -2.822 7.720 1.00 0.00 H new ATOM 0 HA VAL A 65 2.993 -0.193 8.968 1.00 0.00 H new ATOM 0 HB VAL A 65 5.310 -2.180 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.722 -0.373 9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.910 0.181 8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.289 0.677 9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.646 -2.039 10.996 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.216 -0.988 11.130 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.032 -2.678 10.601 1.00 0.00 H new ATOM 1009 N ARG A 66 4.892 -0.876 6.456 1.00 0.00 N ATOM 1010 CA ARG A 66 5.222 -0.458 5.057 1.00 0.00 C ATOM 1011 C ARG A 66 6.495 -1.175 4.613 1.00 0.00 C ATOM 1012 O ARG A 66 7.211 -1.734 5.420 1.00 0.00 O ATOM 1013 CB ARG A 66 5.464 1.059 5.134 1.00 0.00 C ATOM 1014 CG ARG A 66 5.420 1.686 3.728 1.00 0.00 C ATOM 1015 CD ARG A 66 4.635 3.006 3.750 1.00 0.00 C ATOM 1016 NE ARG A 66 4.627 3.440 5.177 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.645 4.155 5.631 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.501 5.369 5.213 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.806 3.655 6.496 1.00 0.00 N ATOM 0 H ARG A 66 5.631 -1.400 6.925 1.00 0.00 H new ATOM 0 HA ARG A 66 4.432 -0.701 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.708 1.522 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.432 1.256 5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.434 1.866 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.955 0.991 3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.108 3.755 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.621 2.866 3.377 1.00 0.00 H new ATOM 0 HE ARG A 66 5.393 3.175 5.795 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.156 5.755 4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.732 5.941 5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.920 2.695 6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.036 4.224 6.848 1.00 0.00 H new ATOM 1033 N PHE A 67 6.756 -1.211 3.331 1.00 0.00 N ATOM 1034 CA PHE A 67 7.958 -1.953 2.833 1.00 0.00 C ATOM 1035 C PHE A 67 8.558 -1.289 1.594 1.00 0.00 C ATOM 1036 O PHE A 67 8.004 -0.359 1.043 1.00 0.00 O ATOM 1037 CB PHE A 67 7.423 -3.330 2.442 1.00 0.00 C ATOM 1038 CG PHE A 67 7.136 -3.362 0.953 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.645 -2.220 0.293 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.378 -4.527 0.224 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.397 -2.253 -1.081 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.125 -4.554 -1.152 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.634 -3.421 -1.804 1.00 0.00 C ATOM 0 H PHE A 67 6.193 -0.762 2.609 1.00 0.00 H new ATOM 0 HA PHE A 67 8.742 -1.983 3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.151 -4.100 2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.514 -3.551 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.459 -1.314 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.760 -5.406 0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.022 -1.374 -1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.311 -5.458 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.438 -3.450 -2.866 1.00 0.00 H new ATOM 1053 N VAL A 68 9.686 -1.766 1.154 1.00 0.00 N ATOM 1054 CA VAL A 68 10.317 -1.184 -0.067 1.00 0.00 C ATOM 1055 C VAL A 68 9.734 -1.814 -1.335 1.00 0.00 C ATOM 1056 O VAL A 68 9.920 -2.991 -1.591 1.00 0.00 O ATOM 1057 CB VAL A 68 11.814 -1.484 0.055 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.546 -0.925 -1.170 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.345 -0.808 1.314 1.00 0.00 C ATOM 0 H VAL A 68 10.201 -2.534 1.585 1.00 0.00 H new ATOM 0 HA VAL A 68 10.130 -0.113 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 68 11.976 -2.560 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.612 -1.137 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.153 -1.392 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.394 0.153 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.411 -1.013 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.187 0.268 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.817 -1.196 2.185 1.00 0.00 H new ATOM 1069 N GLY A 69 9.048 -1.063 -2.152 1.00 0.00 N ATOM 1070 CA GLY A 69 8.518 -1.665 -3.408 1.00 0.00 C ATOM 1071 C GLY A 69 8.131 -0.582 -4.399 1.00 0.00 C ATOM 1072 O GLY A 69 7.388 0.314 -4.089 1.00 0.00 O ATOM 0 H GLY A 69 8.834 -0.076 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.271 -2.318 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.651 -2.285 -3.182 1.00 0.00 H new ATOM 1076 N ALA A 70 8.596 -0.682 -5.607 1.00 0.00 N ATOM 1077 CA ALA A 70 8.217 0.331 -6.623 1.00 0.00 C ATOM 1078 C ALA A 70 7.020 -0.211 -7.405 1.00 0.00 C ATOM 1079 O ALA A 70 5.894 0.100 -7.069 1.00 0.00 O ATOM 1080 CB ALA A 70 9.464 0.515 -7.481 1.00 0.00 C ATOM 0 H ALA A 70 9.220 -1.419 -5.935 1.00 0.00 H new ATOM 0 HA ALA A 70 7.912 1.294 -6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.265 1.252 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.288 0.861 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.732 -0.436 -7.942 1.00 0.00 H new ATOM 1086 N PRO A 71 7.270 -1.061 -8.374 1.00 0.00 N ATOM 1087 CA PRO A 71 6.142 -1.672 -9.106 1.00 0.00 C ATOM 1088 C PRO A 71 5.650 -2.899 -8.324 1.00 0.00 C ATOM 1089 O PRO A 71 5.076 -3.812 -8.887 1.00 0.00 O ATOM 1090 CB PRO A 71 6.795 -2.132 -10.411 1.00 0.00 C ATOM 1091 CG PRO A 71 8.242 -2.351 -10.077 1.00 0.00 C ATOM 1092 CD PRO A 71 8.574 -1.495 -8.889 1.00 0.00 C ATOM 0 HA PRO A 71 5.294 -1.004 -9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.334 -3.048 -10.779 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.682 -1.381 -11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.428 -3.402 -9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.874 -2.088 -10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.131 -2.056 -8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.192 -0.643 -9.173 1.00 0.00 H new ATOM 1100 N SER A 72 5.875 -2.918 -7.024 1.00 0.00 N ATOM 1101 CA SER A 72 5.440 -4.089 -6.199 1.00 0.00 C ATOM 1102 C SER A 72 4.152 -3.769 -5.445 1.00 0.00 C ATOM 1103 O SER A 72 4.097 -3.825 -4.229 1.00 0.00 O ATOM 1104 CB SER A 72 6.587 -4.343 -5.222 1.00 0.00 C ATOM 1105 OG SER A 72 7.389 -3.177 -5.126 1.00 0.00 O ATOM 0 H SER A 72 6.340 -2.173 -6.505 1.00 0.00 H new ATOM 0 HA SER A 72 5.231 -4.963 -6.816 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.192 -4.608 -4.241 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.189 -5.185 -5.562 1.00 0.00 H new ATOM 0 HG SER A 72 8.257 -3.341 -5.550 1.00 0.00 H new ATOM 1111 N ARG A 73 3.117 -3.454 -6.163 1.00 0.00 N ATOM 1112 CA ARG A 73 1.815 -3.148 -5.509 1.00 0.00 C ATOM 1113 C ARG A 73 1.239 -4.439 -4.903 1.00 0.00 C ATOM 1114 O ARG A 73 0.532 -4.409 -3.918 1.00 0.00 O ATOM 1115 CB ARG A 73 0.912 -2.584 -6.614 1.00 0.00 C ATOM 1116 CG ARG A 73 1.687 -1.548 -7.415 1.00 0.00 C ATOM 1117 CD ARG A 73 1.832 -2.013 -8.851 1.00 0.00 C ATOM 1118 NE ARG A 73 2.460 -0.861 -9.555 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.233 -0.677 -10.824 1.00 0.00 C ATOM 1120 NH1 ARG A 73 1.957 -1.699 -11.590 1.00 0.00 N ATOM 1121 NH2 ARG A 73 2.282 0.525 -11.330 1.00 0.00 N ATOM 0 H ARG A 73 3.114 -3.394 -7.181 1.00 0.00 H new ATOM 0 HA ARG A 73 1.909 -2.428 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.573 -3.387 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.022 -2.132 -6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.169 -0.589 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.671 -1.394 -6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.454 -2.906 -8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.865 -2.265 -9.286 1.00 0.00 H new ATOM 0 HE ARG A 73 3.066 -0.218 -9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.920 -2.638 -11.194 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.779 -1.558 -12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.498 1.322 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.104 0.667 -12.324 1.00 0.00 H new ATOM 1135 N GLU A 74 1.545 -5.576 -5.487 1.00 0.00 N ATOM 1136 CA GLU A 74 1.022 -6.870 -4.948 1.00 0.00 C ATOM 1137 C GLU A 74 1.221 -6.938 -3.441 1.00 0.00 C ATOM 1138 O GLU A 74 0.349 -7.359 -2.709 1.00 0.00 O ATOM 1139 CB GLU A 74 1.819 -7.972 -5.648 1.00 0.00 C ATOM 1140 CG GLU A 74 0.850 -8.904 -6.381 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.118 -9.536 -5.379 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.346 -10.252 -4.506 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.308 -9.296 -5.501 1.00 0.00 O ATOM 0 H GLU A 74 2.135 -5.661 -6.315 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.047 -6.976 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.526 -7.535 -6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.403 -8.534 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.295 -8.346 -7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.405 -9.682 -6.905 1.00 0.00 H new ATOM 1150 N GLU A 75 2.364 -6.519 -2.971 1.00 0.00 N ATOM 1151 CA GLU A 75 2.616 -6.548 -1.502 1.00 0.00 C ATOM 1152 C GLU A 75 1.396 -5.994 -0.770 1.00 0.00 C ATOM 1153 O GLU A 75 1.040 -6.441 0.301 1.00 0.00 O ATOM 1154 CB GLU A 75 3.823 -5.636 -1.294 1.00 0.00 C ATOM 1155 CG GLU A 75 4.978 -6.463 -0.738 1.00 0.00 C ATOM 1156 CD GLU A 75 5.269 -6.043 0.706 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.677 -5.074 1.157 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.094 -6.688 1.332 1.00 0.00 O ATOM 0 H GLU A 75 3.132 -6.159 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 75 2.798 -7.553 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.112 -5.172 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.572 -4.829 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.729 -7.523 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.867 -6.323 -1.353 1.00 0.00 H new ATOM 1165 N LEU A 76 0.733 -5.043 -1.370 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.492 -4.473 -0.749 1.00 0.00 C ATOM 1167 C LEU A 76 -1.551 -5.563 -0.681 1.00 0.00 C ATOM 1168 O LEU A 76 -2.217 -5.739 0.316 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.936 -3.348 -1.686 1.00 0.00 C ATOM 1170 CG LEU A 76 0.025 -2.171 -1.547 1.00 0.00 C ATOM 1171 CD1 LEU A 76 1.360 -2.510 -2.218 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.568 -0.930 -2.218 1.00 0.00 C ATOM 0 H LEU A 76 0.991 -4.635 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.325 -4.099 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.950 -3.702 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.951 -3.035 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 76 0.185 -1.972 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.043 -1.667 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.794 -3.388 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.194 -2.717 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.124 -0.094 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.735 -1.133 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.516 -0.677 -1.743 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.698 -6.321 -1.740 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.705 -7.423 -1.742 1.00 0.00 C ATOM 1186 C PHE A 77 -2.436 -8.365 -0.563 1.00 0.00 C ATOM 1187 O PHE A 77 -3.349 -8.887 0.048 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.523 -8.131 -3.104 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.340 -9.615 -2.895 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.169 -10.098 -2.295 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -3.353 -10.506 -3.272 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -1.009 -11.469 -2.068 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -3.190 -11.882 -3.053 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.016 -12.362 -2.447 1.00 0.00 C ATOM 0 H PHE A 77 -1.163 -6.223 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.729 -7.069 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.392 -7.949 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.658 -7.719 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.388 -9.410 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.258 -10.134 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.108 -11.838 -1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.966 -12.572 -3.350 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.892 -13.421 -2.274 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.188 -8.566 -0.248 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.819 -9.455 0.888 1.00 0.00 C ATOM 1206 C GLU A 78 -0.941 -8.697 2.207 1.00 0.00 C ATOM 1207 O GLU A 78 -1.270 -9.265 3.229 1.00 0.00 O ATOM 1208 CB GLU A 78 0.622 -9.901 0.616 1.00 0.00 C ATOM 1209 CG GLU A 78 1.001 -11.009 1.603 1.00 0.00 C ATOM 1210 CD GLU A 78 1.362 -12.284 0.839 1.00 0.00 C ATOM 1211 OE1 GLU A 78 0.450 -12.994 0.446 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.541 -12.529 0.660 1.00 0.00 O ATOM 0 H GLU A 78 -0.397 -8.146 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.478 -10.319 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.716 -10.262 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.303 -9.056 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.845 -10.690 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.170 -11.204 2.281 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.670 -7.422 2.196 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.767 -6.626 3.455 1.00 0.00 C ATOM 1221 C ALA A 79 -2.216 -6.464 3.893 1.00 0.00 C ATOM 1222 O ALA A 79 -2.512 -6.448 5.071 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.161 -5.269 3.092 1.00 0.00 C ATOM 0 H ALA A 79 -0.385 -6.895 1.370 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.253 -7.108 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.190 -4.613 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.873 -5.405 2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.734 -4.820 2.280 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.121 -6.358 2.966 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.563 -6.206 3.342 1.00 0.00 C ATOM 1231 C ILE A 80 -5.037 -7.509 3.972 1.00 0.00 C ATOM 1232 O ILE A 80 -5.685 -7.521 4.984 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.279 -5.926 2.039 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.020 -4.484 1.598 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.774 -6.112 2.248 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.637 -4.012 2.062 1.00 0.00 C ATOM 0 H ILE A 80 -2.932 -6.369 1.964 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.747 -5.409 4.063 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.912 -6.610 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.088 -4.413 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.789 -3.830 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.300 -5.912 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.973 -7.136 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.123 -5.421 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.475 -2.984 1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.582 -4.062 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.870 -4.654 1.630 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.644 -8.606 3.375 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.956 -9.926 3.934 1.00 0.00 C ATOM 1250 C ASN A 81 -4.252 -10.076 5.274 1.00 0.00 C ATOM 1251 O ASN A 81 -4.642 -10.931 6.049 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.506 -11.003 2.965 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.045 -12.228 3.761 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -4.782 -12.771 4.568 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -2.847 -12.689 3.564 1.00 0.00 N ATOM 0 H ASN A 81 -4.110 -8.627 2.506 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.030 -10.027 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.323 -11.274 2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.693 -10.632 2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.523 -13.505 4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.231 -12.236 2.890 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.258 -9.298 5.588 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.614 -9.515 6.909 1.00 0.00 C ATOM 1264 C ASP A 82 -3.041 -8.450 7.839 1.00 0.00 C ATOM 1265 O ASP A 82 -2.759 -8.410 9.029 1.00 0.00 O ATOM 1266 CB ASP A 82 -1.148 -9.251 6.594 1.00 0.00 C ATOM 1267 CG ASP A 82 -0.604 -8.205 7.578 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -1.056 -7.052 7.475 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.149 -8.541 8.465 1.00 0.00 O ATOM 0 H ASP A 82 -2.874 -8.548 5.012 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.839 -10.488 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.574 -10.175 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.042 -8.895 5.569 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.763 -7.544 7.258 1.00 0.00 N ATOM 1275 CA GLU A 83 -4.324 -6.449 8.058 1.00 0.00 C ATOM 1276 C GLU A 83 -5.639 -7.055 8.540 1.00 0.00 C ATOM 1277 O GLU A 83 -5.873 -7.154 9.713 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.578 -5.262 7.113 1.00 0.00 C ATOM 1279 CG GLU A 83 -6.045 -4.862 7.142 1.00 0.00 C ATOM 1280 CD GLU A 83 -6.443 -4.557 8.589 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -6.008 -3.542 9.107 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -7.191 -5.342 9.154 1.00 0.00 O ATOM 0 H GLU A 83 -3.986 -7.520 6.263 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.699 -6.089 8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.958 -4.415 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.288 -5.530 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.211 -3.988 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.664 -5.665 6.741 1.00 0.00 H new ATOM 1289 N MET A 84 -6.440 -7.499 7.604 1.00 0.00 N ATOM 1290 CA MET A 84 -7.731 -8.111 7.972 1.00 0.00 C ATOM 1291 C MET A 84 -7.544 -9.553 8.456 1.00 0.00 C ATOM 1292 O MET A 84 -8.375 -10.089 9.173 1.00 0.00 O ATOM 1293 CB MET A 84 -8.555 -8.067 6.669 1.00 0.00 C ATOM 1294 CG MET A 84 -9.417 -9.330 6.532 1.00 0.00 C ATOM 1295 SD MET A 84 -8.749 -10.377 5.220 1.00 0.00 S ATOM 1296 CE MET A 84 -9.801 -9.745 3.896 1.00 0.00 C ATOM 0 H MET A 84 -6.246 -7.459 6.603 1.00 0.00 H new ATOM 0 HA MET A 84 -8.219 -7.586 8.793 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.193 -7.183 6.665 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.887 -7.982 5.812 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.433 -9.876 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.447 -9.057 6.305 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.988 -10.537 3.171 1.00 0.00 H new ATOM 0 HE2 MET A 84 -10.748 -9.405 4.315 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.303 -8.911 3.402 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.459 -10.172 8.087 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.213 -11.576 8.519 1.00 0.00 C ATOM 1308 C GLU A 85 -4.702 -11.844 8.602 1.00 0.00 C ATOM 1309 O GLU A 85 -4.261 -12.838 8.044 1.00 0.00 O ATOM 1310 CB GLU A 85 -6.866 -12.442 7.432 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.787 -13.920 7.829 1.00 0.00 C ATOM 1312 CD GLU A 85 -8.085 -14.334 8.522 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -9.006 -14.729 7.826 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -8.135 -14.251 9.737 1.00 0.00 O ATOM 1315 OXT GLU A 85 -4.013 -11.052 9.226 1.00 0.00 O ATOM 0 H GLU A 85 -5.729 -9.765 7.503 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.624 -11.790 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.907 -12.148 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.363 -12.285 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.622 -14.536 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.939 -14.084 8.494 1.00 0.00 H new TER 1322 GLU A 85