USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 715 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 36 HIS : no HE2:sc= -0.766 K(o=-3.3,f=-4!) USER MOD Set 1.2: A 65 ASN : amide:sc= -2.54 K(o=-3.3,f=-4) USER MOD Set 2.1: A 22 LYS NZ :NH3+ 154:sc= -0.0418 (180deg=0) USER MOD Set 2.2: A 28 MET CE :methyl -138:sc= -3.55! (180deg=-1.72!) USER MOD Set 3.1: A 12 SER OG : rot -163:sc= 0.0107 USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0.00896 USER MOD Set 4.1: A 7 THR OG1 : rot -127:sc= -0.767 USER MOD Set 4.2: A 91 THR OG1 : rot 180:sc= 0.68 USER MOD Single : A 1 VAL N :NH3+ 140:sc= -0.126 (180deg=-1.41) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.43) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0375 K(o=-0.037,f=-1.1) USER MOD Single : A 23 TYR OH : rot 139:sc= 1.04 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -151:sc= -1.83 (180deg=-2.68!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -116:sc= 0.822 USER MOD Single : A 61 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot 146:sc= -0.788 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 30:sc= 0.367 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.254 11.076 23.374 1.00 0.00 N ATOM 2 CA VAL A 1 4.521 11.435 24.620 1.00 0.00 C ATOM 3 C VAL A 1 5.477 12.059 25.630 1.00 0.00 C ATOM 4 O VAL A 1 5.860 11.420 26.610 1.00 0.00 O ATOM 5 CB VAL A 1 3.857 10.206 25.236 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.896 9.130 25.537 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.100 10.587 26.505 1.00 0.00 C ATOM 0 H1 VAL A 1 4.910 10.160 23.021 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.093 11.808 22.653 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.272 11.009 23.577 1.00 0.00 H new ATOM 0 HA VAL A 1 3.746 12.156 24.360 1.00 0.00 H new ATOM 0 HB VAL A 1 3.144 9.804 24.516 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.404 8.262 25.976 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.394 8.837 24.613 1.00 0.00 H new ATOM 0 HG13 VAL A 1 5.633 9.522 26.238 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.633 9.699 26.931 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.794 11.014 27.229 1.00 0.00 H new ATOM 0 HG23 VAL A 1 2.331 11.321 26.263 1.00 0.00 H new ATOM 19 N PRO A 2 5.875 13.323 25.404 1.00 0.00 N ATOM 20 CA PRO A 2 6.793 14.036 26.302 1.00 0.00 C ATOM 21 C PRO A 2 6.101 14.499 27.579 1.00 0.00 C ATOM 22 O PRO A 2 4.942 14.912 27.554 1.00 0.00 O ATOM 23 CB PRO A 2 7.264 15.227 25.479 1.00 0.00 C ATOM 24 CG PRO A 2 6.186 15.469 24.473 1.00 0.00 C ATOM 25 CD PRO A 2 5.466 14.158 24.261 1.00 0.00 C ATOM 0 HA PRO A 2 7.611 13.398 26.636 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.417 16.103 26.109 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.216 15.015 24.991 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.495 16.234 24.827 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.609 15.831 23.536 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.385 14.298 24.238 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.748 13.699 23.313 1.00 0.00 H new ATOM 33 N LYS A 3 6.820 14.427 28.694 1.00 0.00 N ATOM 34 CA LYS A 3 6.279 14.836 29.986 1.00 0.00 C ATOM 35 C LYS A 3 7.152 15.918 30.605 1.00 0.00 C ATOM 36 O LYS A 3 7.441 15.886 31.801 1.00 0.00 O ATOM 37 CB LYS A 3 6.211 13.638 30.921 1.00 0.00 C ATOM 38 CG LYS A 3 5.400 12.500 30.306 1.00 0.00 C ATOM 39 CD LYS A 3 5.599 11.199 31.077 1.00 0.00 C ATOM 40 CE LYS A 3 4.295 10.733 31.720 1.00 0.00 C ATOM 41 NZ LYS A 3 4.376 9.304 32.134 1.00 0.00 N ATOM 0 H LYS A 3 7.781 14.088 28.729 1.00 0.00 H new ATOM 0 HA LYS A 3 5.276 15.234 29.834 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.220 13.290 31.143 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.761 13.938 31.868 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.343 12.765 30.302 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.697 12.359 29.267 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.971 10.427 30.403 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.357 11.342 31.847 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.073 11.353 32.588 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.473 10.864 31.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.475 9.017 32.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.564 8.711 31.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.145 9.185 32.824 1.00 0.00 H new ATOM 55 N VAL A 4 7.567 16.869 29.776 1.00 0.00 N ATOM 56 CA VAL A 4 8.414 17.978 30.209 1.00 0.00 C ATOM 57 C VAL A 4 9.558 17.484 31.085 1.00 0.00 C ATOM 58 O VAL A 4 9.754 16.281 31.253 1.00 0.00 O ATOM 59 CB VAL A 4 7.582 19.017 30.956 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.398 19.463 30.104 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.102 18.478 32.302 1.00 0.00 C ATOM 0 H VAL A 4 7.327 16.894 28.785 1.00 0.00 H new ATOM 0 HA VAL A 4 8.845 18.443 29.322 1.00 0.00 H new ATOM 0 HB VAL A 4 8.218 19.881 31.150 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.815 20.204 30.651 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.763 19.902 29.175 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.769 18.602 29.876 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.512 19.241 32.810 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.488 17.592 32.141 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.963 18.216 32.917 1.00 0.00 H new ATOM 71 N THR A 5 10.314 18.425 31.635 1.00 0.00 N ATOM 72 CA THR A 5 11.447 18.092 32.491 1.00 0.00 C ATOM 73 C THR A 5 11.978 19.340 33.183 1.00 0.00 C ATOM 74 O THR A 5 12.225 20.361 32.541 1.00 0.00 O ATOM 75 CB THR A 5 12.554 17.448 31.662 1.00 0.00 C ATOM 76 OG1 THR A 5 12.547 17.981 30.347 1.00 0.00 O ATOM 77 CG2 THR A 5 12.381 15.933 31.613 1.00 0.00 C ATOM 0 H THR A 5 10.164 19.425 31.504 1.00 0.00 H new ATOM 0 HA THR A 5 11.112 17.387 33.252 1.00 0.00 H new ATOM 0 HB THR A 5 13.512 17.670 32.133 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.261 17.564 29.821 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.181 15.495 31.017 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.420 15.529 32.625 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.418 15.691 31.162 1.00 0.00 H new ATOM 85 N PHE A 6 12.157 19.249 34.496 1.00 0.00 N ATOM 86 CA PHE A 6 12.665 20.368 35.281 1.00 0.00 C ATOM 87 C PHE A 6 14.119 20.125 35.657 1.00 0.00 C ATOM 88 O PHE A 6 14.575 18.983 35.699 1.00 0.00 O ATOM 89 CB PHE A 6 11.823 20.547 36.541 1.00 0.00 C ATOM 90 CG PHE A 6 10.359 20.752 36.242 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.606 19.713 35.721 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.766 21.978 36.490 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.262 19.900 35.447 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.422 22.166 36.216 1.00 0.00 C ATOM 95 CZ PHE A 6 7.669 21.127 35.694 1.00 0.00 C ATOM 0 H PHE A 6 11.957 18.410 35.040 1.00 0.00 H new ATOM 0 HA PHE A 6 12.603 21.276 34.682 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.940 19.670 37.178 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.197 21.402 37.104 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.068 18.756 35.528 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.352 22.788 36.898 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.676 19.089 35.041 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.960 23.123 36.409 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.621 21.274 35.480 1.00 0.00 H new ATOM 105 N THR A 7 14.847 21.203 35.929 1.00 0.00 N ATOM 106 CA THR A 7 16.254 21.096 36.298 1.00 0.00 C ATOM 107 C THR A 7 16.700 22.329 37.072 1.00 0.00 C ATOM 108 O THR A 7 16.606 23.452 36.579 1.00 0.00 O ATOM 109 CB THR A 7 17.111 20.934 35.046 1.00 0.00 C ATOM 110 OG1 THR A 7 16.664 19.817 34.293 1.00 0.00 O ATOM 111 CG2 THR A 7 18.582 20.763 35.414 1.00 0.00 C ATOM 0 H THR A 7 14.488 22.157 35.901 1.00 0.00 H new ATOM 0 HA THR A 7 16.378 20.220 36.935 1.00 0.00 H new ATOM 0 HB THR A 7 17.012 21.836 34.442 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.420 19.219 34.114 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.173 20.649 34.506 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.924 21.641 35.962 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.700 19.877 36.037 1.00 0.00 H new ATOM 119 N VAL A 8 17.190 22.111 38.287 1.00 0.00 N ATOM 120 CA VAL A 8 17.658 23.204 39.131 1.00 0.00 C ATOM 121 C VAL A 8 18.795 23.947 38.442 1.00 0.00 C ATOM 122 O VAL A 8 19.959 23.561 38.552 1.00 0.00 O ATOM 123 CB VAL A 8 18.129 22.656 40.475 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.349 23.792 41.470 1.00 0.00 C ATOM 125 CG2 VAL A 8 17.121 21.651 41.023 1.00 0.00 C ATOM 0 H VAL A 8 17.274 21.187 38.710 1.00 0.00 H new ATOM 0 HA VAL A 8 16.836 23.899 39.300 1.00 0.00 H new ATOM 0 HB VAL A 8 19.079 22.144 40.325 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.685 23.382 42.422 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.106 24.474 41.082 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.414 24.333 41.617 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.472 21.270 41.982 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.156 22.140 41.158 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.013 20.824 40.321 1.00 0.00 H new ATOM 135 N GLU A 9 18.450 25.013 37.724 1.00 0.00 N ATOM 136 CA GLU A 9 19.438 25.816 37.006 1.00 0.00 C ATOM 137 C GLU A 9 20.623 26.146 37.906 1.00 0.00 C ATOM 138 O GLU A 9 20.452 26.484 39.077 1.00 0.00 O ATOM 139 CB GLU A 9 18.793 27.103 36.501 1.00 0.00 C ATOM 140 CG GLU A 9 18.205 26.916 35.105 1.00 0.00 C ATOM 141 CD GLU A 9 19.314 26.640 34.097 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.500 26.782 34.462 1.00 0.00 O ATOM 143 OE2 GLU A 9 18.994 26.282 32.944 1.00 0.00 O ATOM 0 H GLU A 9 17.490 25.342 37.623 1.00 0.00 H new ATOM 0 HA GLU A 9 19.802 25.238 36.156 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.008 27.414 37.190 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.535 27.901 36.482 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.495 26.089 35.110 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.653 27.809 34.813 1.00 0.00 H new ATOM 150 N LYS A 10 21.826 26.044 37.350 1.00 0.00 N ATOM 151 CA LYS A 10 23.045 26.330 38.098 1.00 0.00 C ATOM 152 C LYS A 10 22.970 27.716 38.726 1.00 0.00 C ATOM 153 O LYS A 10 22.469 28.659 38.114 1.00 0.00 O ATOM 154 CB LYS A 10 24.254 26.241 37.171 1.00 0.00 C ATOM 155 CG LYS A 10 25.542 26.027 37.959 1.00 0.00 C ATOM 156 CD LYS A 10 26.673 25.551 37.051 1.00 0.00 C ATOM 157 CE LYS A 10 27.261 24.232 37.544 1.00 0.00 C ATOM 158 NZ LYS A 10 28.474 23.854 36.765 1.00 0.00 N ATOM 0 H LYS A 10 21.983 25.765 36.382 1.00 0.00 H new ATOM 0 HA LYS A 10 23.149 25.593 38.894 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.115 25.421 36.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.332 27.156 36.583 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.831 26.958 38.447 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.372 25.293 38.747 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.299 25.428 36.035 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.455 26.309 37.013 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.517 24.318 38.600 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.513 23.444 37.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.850 22.953 37.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.223 23.749 35.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 29.196 24.596 36.866 1.00 0.00 H new ATOM 172 N GLY A 11 23.472 27.834 39.951 1.00 0.00 N ATOM 173 CA GLY A 11 23.463 29.107 40.663 1.00 0.00 C ATOM 174 C GLY A 11 22.234 29.213 41.558 1.00 0.00 C ATOM 175 O GLY A 11 21.674 30.295 41.733 1.00 0.00 O ATOM 0 H GLY A 11 23.890 27.063 40.472 1.00 0.00 H new ATOM 0 HA2 GLY A 11 24.367 29.199 41.265 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.471 29.930 39.948 1.00 0.00 H new ATOM 179 N SER A 12 21.820 28.084 42.123 1.00 0.00 N ATOM 180 CA SER A 12 20.655 28.046 43.002 1.00 0.00 C ATOM 181 C SER A 12 20.994 28.650 44.359 1.00 0.00 C ATOM 182 O SER A 12 22.129 28.556 44.825 1.00 0.00 O ATOM 183 CB SER A 12 20.182 26.606 43.175 1.00 0.00 C ATOM 184 OG SER A 12 19.325 26.496 44.301 1.00 0.00 O ATOM 0 H SER A 12 22.274 27.181 41.988 1.00 0.00 H new ATOM 0 HA SER A 12 19.856 28.633 42.550 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.657 26.279 42.278 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.041 25.947 43.299 1.00 0.00 H new ATOM 0 HG SER A 12 19.245 25.554 44.560 1.00 0.00 H new ATOM 190 N ASN A 13 20.001 29.271 44.989 1.00 0.00 N ATOM 191 CA ASN A 13 20.190 29.893 46.297 1.00 0.00 C ATOM 192 C ASN A 13 19.043 29.528 47.231 1.00 0.00 C ATOM 193 O ASN A 13 17.928 29.259 46.784 1.00 0.00 O ATOM 194 CB ASN A 13 20.272 31.409 46.147 1.00 0.00 C ATOM 195 CG ASN A 13 21.221 31.777 45.014 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.381 32.118 45.248 1.00 0.00 O ATOM 197 ND2 ASN A 13 20.728 31.709 43.783 1.00 0.00 N ATOM 0 H ASN A 13 19.056 29.357 44.615 1.00 0.00 H new ATOM 0 HA ASN A 13 21.122 29.524 46.725 1.00 0.00 H new ATOM 0 HB2 ASN A 13 19.281 31.816 45.947 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.617 31.855 47.079 1.00 0.00 H new ATOM 0 HD21 ASN A 13 21.317 31.944 42.984 1.00 0.00 H new ATOM 0 HD22 ASN A 13 19.760 31.421 43.636 1.00 0.00 H new ATOM 204 N GLU A 14 19.323 29.521 48.529 1.00 0.00 N ATOM 205 CA GLU A 14 18.314 29.190 49.529 1.00 0.00 C ATOM 206 C GLU A 14 17.097 30.092 49.372 1.00 0.00 C ATOM 207 O GLU A 14 15.968 29.681 49.637 1.00 0.00 O ATOM 208 CB GLU A 14 18.896 29.346 50.930 1.00 0.00 C ATOM 209 CG GLU A 14 19.725 30.623 51.048 1.00 0.00 C ATOM 210 CD GLU A 14 21.197 30.282 51.237 1.00 0.00 C ATOM 211 OE1 GLU A 14 21.894 30.068 50.223 1.00 0.00 O ATOM 212 OE2 GLU A 14 21.651 30.229 52.399 1.00 0.00 O ATOM 0 H GLU A 14 20.241 29.741 48.914 1.00 0.00 H new ATOM 0 HA GLU A 14 18.006 28.155 49.383 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.088 29.366 51.661 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.518 28.483 51.166 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.598 31.231 50.153 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.371 31.218 51.890 1.00 0.00 H new ATOM 219 N LYS A 15 17.336 31.327 48.943 1.00 0.00 N ATOM 220 CA LYS A 15 16.262 32.296 48.752 1.00 0.00 C ATOM 221 C LYS A 15 15.767 32.298 47.306 1.00 0.00 C ATOM 222 O LYS A 15 14.724 32.879 47.006 1.00 0.00 O ATOM 223 CB LYS A 15 16.750 33.692 49.132 1.00 0.00 C ATOM 224 CG LYS A 15 15.852 34.324 50.193 1.00 0.00 C ATOM 225 CD LYS A 15 16.463 34.195 51.585 1.00 0.00 C ATOM 226 CE LYS A 15 15.936 32.959 52.309 1.00 0.00 C ATOM 227 NZ LYS A 15 16.266 32.999 53.762 1.00 0.00 N ATOM 0 H LYS A 15 18.266 31.681 48.720 1.00 0.00 H new ATOM 0 HA LYS A 15 15.430 32.010 49.396 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.772 33.633 49.506 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.771 34.326 48.246 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.694 35.377 49.959 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.873 33.844 50.177 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.548 34.137 51.504 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.234 35.086 52.169 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.855 32.893 52.181 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.365 32.062 51.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.895 32.146 54.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.298 33.037 53.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.836 33.842 54.193 1.00 0.00 H new ATOM 241 N HIS A 16 16.512 31.654 46.408 1.00 0.00 N ATOM 242 CA HIS A 16 16.128 31.601 45.000 1.00 0.00 C ATOM 243 C HIS A 16 16.218 30.176 44.468 1.00 0.00 C ATOM 244 O HIS A 16 17.289 29.570 44.466 1.00 0.00 O ATOM 245 CB HIS A 16 17.031 32.519 44.181 1.00 0.00 C ATOM 246 CG HIS A 16 16.715 33.968 44.377 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.994 34.651 45.532 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.134 34.886 43.561 1.00 0.00 C ATOM 249 CE1 HIS A 16 16.614 35.904 45.442 1.00 0.00 C ATOM 250 NE2 HIS A 16 16.081 36.086 44.245 1.00 0.00 N ATOM 0 H HIS A 16 17.379 31.165 46.629 1.00 0.00 H new ATOM 0 HA HIS A 16 15.095 31.937 44.911 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.070 32.338 44.455 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.932 32.270 43.124 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.777 34.710 42.557 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.718 36.655 46.211 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.697 36.961 43.888 1.00 0.00 H new ATOM 258 N LEU A 17 15.086 29.649 44.011 1.00 0.00 N ATOM 259 CA LEU A 17 15.033 28.295 43.467 1.00 0.00 C ATOM 260 C LEU A 17 14.908 28.349 41.950 1.00 0.00 C ATOM 261 O LEU A 17 13.803 28.357 41.407 1.00 0.00 O ATOM 262 CB LEU A 17 13.845 27.542 44.068 1.00 0.00 C ATOM 263 CG LEU A 17 14.071 26.029 44.075 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.031 25.472 42.655 1.00 0.00 C ATOM 265 CD2 LEU A 17 15.392 25.679 44.755 1.00 0.00 C ATOM 0 H LEU A 17 14.192 30.139 44.006 1.00 0.00 H new ATOM 0 HA LEU A 17 15.952 27.769 43.725 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.674 27.888 45.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.944 27.772 43.499 1.00 0.00 H new ATOM 0 HG LEU A 17 13.265 25.569 44.646 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.194 24.395 42.682 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.058 25.681 42.209 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.812 25.942 42.058 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.530 24.598 44.747 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.214 26.153 44.219 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.377 26.036 45.785 1.00 0.00 H new ATOM 277 N ALA A 18 16.050 28.397 41.271 1.00 0.00 N ATOM 278 CA ALA A 18 16.078 28.463 39.813 1.00 0.00 C ATOM 279 C ALA A 18 15.963 27.073 39.202 1.00 0.00 C ATOM 280 O ALA A 18 16.815 26.211 39.421 1.00 0.00 O ATOM 281 CB ALA A 18 17.372 29.125 39.351 1.00 0.00 C ATOM 0 H ALA A 18 16.971 28.391 41.709 1.00 0.00 H new ATOM 0 HA ALA A 18 15.226 29.055 39.480 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.388 29.172 38.262 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.430 30.134 39.759 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.224 28.543 39.702 1.00 0.00 H new ATOM 287 N VAL A 19 14.908 26.871 38.421 1.00 0.00 N ATOM 288 CA VAL A 19 14.669 25.597 37.751 1.00 0.00 C ATOM 289 C VAL A 19 14.918 25.753 36.259 1.00 0.00 C ATOM 290 O VAL A 19 15.490 26.747 35.820 1.00 0.00 O ATOM 291 CB VAL A 19 13.234 25.136 38.007 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.954 25.067 39.505 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.236 26.065 37.319 1.00 0.00 C ATOM 0 H VAL A 19 14.199 27.580 38.235 1.00 0.00 H new ATOM 0 HA VAL A 19 15.351 24.845 38.147 1.00 0.00 H new ATOM 0 HB VAL A 19 13.117 24.137 37.586 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.928 24.737 39.669 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.641 24.361 39.971 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.093 26.054 39.947 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.221 25.718 37.515 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.354 27.077 37.706 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.419 26.064 36.244 1.00 0.00 H new ATOM 303 N LEU A 20 14.486 24.768 35.486 1.00 0.00 N ATOM 304 CA LEU A 20 14.661 24.804 34.037 1.00 0.00 C ATOM 305 C LEU A 20 13.429 24.250 33.331 1.00 0.00 C ATOM 306 O LEU A 20 13.424 23.102 32.885 1.00 0.00 O ATOM 307 CB LEU A 20 15.895 23.999 33.639 1.00 0.00 C ATOM 308 CG LEU A 20 16.585 24.611 32.423 1.00 0.00 C ATOM 309 CD1 LEU A 20 17.814 23.791 32.036 1.00 0.00 C ATOM 310 CD2 LEU A 20 15.616 24.709 31.248 1.00 0.00 C ATOM 0 H LEU A 20 14.012 23.934 35.834 1.00 0.00 H new ATOM 0 HA LEU A 20 14.797 25.842 33.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.593 23.961 34.475 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.606 22.971 33.418 1.00 0.00 H new ATOM 0 HG LEU A 20 16.910 25.618 32.684 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.293 24.242 31.167 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.516 23.773 32.869 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.511 22.772 31.795 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.127 25.148 30.391 1.00 0.00 H new ATOM 0 HD22 LEU A 20 15.259 23.713 30.987 1.00 0.00 H new ATOM 0 HD23 LEU A 20 14.769 25.337 31.526 1.00 0.00 H new ATOM 322 N VAL A 21 12.387 25.071 33.225 1.00 0.00 N ATOM 323 CA VAL A 21 11.152 24.657 32.563 1.00 0.00 C ATOM 324 C VAL A 21 11.191 25.049 31.091 1.00 0.00 C ATOM 325 O VAL A 21 10.743 26.133 30.717 1.00 0.00 O ATOM 326 CB VAL A 21 9.937 25.302 33.233 1.00 0.00 C ATOM 327 CG1 VAL A 21 8.663 24.552 32.854 1.00 0.00 C ATOM 328 CG2 VAL A 21 10.101 25.339 34.750 1.00 0.00 C ATOM 0 H VAL A 21 12.373 26.024 33.588 1.00 0.00 H new ATOM 0 HA VAL A 21 11.066 23.574 32.647 1.00 0.00 H new ATOM 0 HB VAL A 21 9.860 26.329 32.877 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.807 25.022 33.338 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.531 24.583 31.772 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.740 23.515 33.181 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.223 25.803 35.200 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.209 24.323 35.129 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.988 25.918 35.006 1.00 0.00 H new ATOM 338 N LYS A 22 11.730 24.164 30.259 1.00 0.00 N ATOM 339 CA LYS A 22 11.828 24.424 28.827 1.00 0.00 C ATOM 340 C LYS A 22 11.573 23.150 28.033 1.00 0.00 C ATOM 341 O LYS A 22 11.660 22.044 28.567 1.00 0.00 O ATOM 342 CB LYS A 22 13.211 24.976 28.492 1.00 0.00 C ATOM 343 CG LYS A 22 13.328 26.447 28.881 1.00 0.00 C ATOM 344 CD LYS A 22 13.983 27.263 27.771 1.00 0.00 C ATOM 345 CE LYS A 22 14.522 28.588 28.303 1.00 0.00 C ATOM 346 NZ LYS A 22 14.262 29.701 27.347 1.00 0.00 N ATOM 0 H LYS A 22 12.105 23.262 30.551 1.00 0.00 H new ATOM 0 HA LYS A 22 11.071 25.160 28.556 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.973 24.397 29.015 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.402 24.863 27.425 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.338 26.849 29.095 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.913 26.538 29.796 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.796 26.689 27.326 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.258 27.454 26.980 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.056 28.814 29.262 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.594 28.502 28.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.218 30.601 27.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.029 29.742 26.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.357 29.537 26.861 1.00 0.00 H new ATOM 360 N TYR A 23 11.258 23.313 26.751 1.00 0.00 N ATOM 361 CA TYR A 23 10.987 22.178 25.870 1.00 0.00 C ATOM 362 C TYR A 23 10.435 22.667 24.536 1.00 0.00 C ATOM 363 O TYR A 23 9.826 23.734 24.460 1.00 0.00 O ATOM 364 CB TYR A 23 9.991 21.218 26.523 1.00 0.00 C ATOM 365 CG TYR A 23 8.967 21.918 27.382 1.00 0.00 C ATOM 366 CD1 TYR A 23 8.100 22.837 26.816 1.00 0.00 C ATOM 367 CD2 TYR A 23 8.894 21.644 28.736 1.00 0.00 C ATOM 368 CE1 TYR A 23 7.162 23.481 27.606 1.00 0.00 C ATOM 369 CE2 TYR A 23 7.956 22.289 29.524 1.00 0.00 C ATOM 370 CZ TYR A 23 7.095 23.204 28.956 1.00 0.00 C ATOM 371 OH TYR A 23 6.163 23.845 29.740 1.00 0.00 O ATOM 0 H TYR A 23 11.184 24.223 26.297 1.00 0.00 H new ATOM 0 HA TYR A 23 11.923 21.647 25.696 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.478 20.653 25.745 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.537 20.498 27.133 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.155 23.052 25.759 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.569 20.927 29.179 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.485 24.198 27.166 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.899 22.076 30.581 1.00 0.00 H new ATOM 0 HH TYR A 23 5.778 23.208 30.377 1.00 0.00 H new ATOM 381 N GLU A 24 10.654 21.882 23.487 1.00 0.00 N ATOM 382 CA GLU A 24 10.181 22.237 22.153 1.00 0.00 C ATOM 383 C GLU A 24 8.767 21.714 21.931 1.00 0.00 C ATOM 384 O GLU A 24 8.014 22.259 21.124 1.00 0.00 O ATOM 385 CB GLU A 24 11.120 21.660 21.098 1.00 0.00 C ATOM 386 CG GLU A 24 11.173 20.137 21.178 1.00 0.00 C ATOM 387 CD GLU A 24 11.293 19.539 19.782 1.00 0.00 C ATOM 388 OE1 GLU A 24 10.406 19.804 18.943 1.00 0.00 O ATOM 389 OE2 GLU A 24 12.273 18.807 19.530 1.00 0.00 O ATOM 0 H GLU A 24 11.156 20.995 23.534 1.00 0.00 H new ATOM 0 HA GLU A 24 10.168 23.323 22.066 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.786 21.963 20.106 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.121 22.069 21.236 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.022 19.827 21.788 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.275 19.760 21.667 1.00 0.00 H new ATOM 396 N GLY A 25 8.411 20.654 22.650 1.00 0.00 N ATOM 397 CA GLY A 25 7.084 20.058 22.530 1.00 0.00 C ATOM 398 C GLY A 25 6.001 21.100 22.776 1.00 0.00 C ATOM 399 O GLY A 25 4.965 21.101 22.112 1.00 0.00 O ATOM 0 H GLY A 25 9.022 20.190 23.322 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.962 19.627 21.536 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.980 19.243 23.246 1.00 0.00 H new ATOM 403 N ASP A 26 6.248 21.986 23.734 1.00 0.00 N ATOM 404 CA ASP A 26 5.293 23.037 24.070 1.00 0.00 C ATOM 405 C ASP A 26 5.996 24.386 24.146 1.00 0.00 C ATOM 406 O ASP A 26 7.216 24.470 24.007 1.00 0.00 O ATOM 407 CB ASP A 26 4.622 22.723 25.404 1.00 0.00 C ATOM 408 CG ASP A 26 3.654 21.558 25.246 1.00 0.00 C ATOM 409 OD1 ASP A 26 2.809 21.607 24.328 1.00 0.00 O ATOM 410 OD2 ASP A 26 3.744 20.597 26.039 1.00 0.00 O ATOM 0 H ASP A 26 7.102 21.998 24.292 1.00 0.00 H new ATOM 0 HA ASP A 26 4.533 23.082 23.290 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.378 22.478 26.151 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.089 23.602 25.766 1.00 0.00 H new ATOM 415 N THR A 27 5.219 25.441 24.368 1.00 0.00 N ATOM 416 CA THR A 27 5.767 26.790 24.462 1.00 0.00 C ATOM 417 C THR A 27 5.798 27.250 25.914 1.00 0.00 C ATOM 418 O THR A 27 5.618 26.451 26.832 1.00 0.00 O ATOM 419 CB THR A 27 4.929 27.756 23.627 1.00 0.00 C ATOM 420 OG1 THR A 27 4.002 27.033 22.831 1.00 0.00 O ATOM 421 CG2 THR A 27 5.821 28.617 22.738 1.00 0.00 C ATOM 0 H THR A 27 4.207 25.388 24.486 1.00 0.00 H new ATOM 0 HA THR A 27 6.786 26.779 24.076 1.00 0.00 H new ATOM 0 HB THR A 27 4.383 28.412 24.305 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.468 27.660 22.300 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.203 29.297 22.152 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.506 29.193 23.359 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.392 27.976 22.066 1.00 0.00 H new ATOM 429 N MET A 28 6.030 28.542 26.114 1.00 0.00 N ATOM 430 CA MET A 28 6.087 29.113 27.455 1.00 0.00 C ATOM 431 C MET A 28 5.079 30.245 27.592 1.00 0.00 C ATOM 432 O MET A 28 5.169 31.255 26.894 1.00 0.00 O ATOM 433 CB MET A 28 7.491 29.635 27.737 1.00 0.00 C ATOM 434 CG MET A 28 8.506 28.495 27.780 1.00 0.00 C ATOM 435 SD MET A 28 10.037 28.905 26.926 1.00 0.00 S ATOM 436 CE MET A 28 11.117 29.263 28.319 1.00 0.00 C ATOM 0 H MET A 28 6.182 29.215 25.363 1.00 0.00 H new ATOM 0 HA MET A 28 5.841 28.334 28.177 1.00 0.00 H new ATOM 0 HB2 MET A 28 7.777 30.351 26.967 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.499 30.169 28.687 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.727 28.249 28.818 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.068 27.605 27.328 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.719 30.144 28.096 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.514 29.451 29.208 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.773 28.411 28.499 1.00 0.00 H new ATOM 446 N ALA A 29 4.119 30.072 28.493 1.00 0.00 N ATOM 447 CA ALA A 29 3.090 31.080 28.717 1.00 0.00 C ATOM 448 C ALA A 29 2.999 31.439 30.195 1.00 0.00 C ATOM 449 O ALA A 29 3.200 32.592 30.577 1.00 0.00 O ATOM 450 CB ALA A 29 1.744 30.561 28.224 1.00 0.00 C ATOM 0 H ALA A 29 4.032 29.243 29.080 1.00 0.00 H new ATOM 0 HA ALA A 29 3.357 31.979 28.161 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.978 31.318 28.394 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.807 30.341 27.158 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.483 29.653 28.767 1.00 0.00 H new ATOM 456 N GLU A 30 2.693 30.446 31.025 1.00 0.00 N ATOM 457 CA GLU A 30 2.573 30.660 32.464 1.00 0.00 C ATOM 458 C GLU A 30 3.118 29.458 33.225 1.00 0.00 C ATOM 459 O GLU A 30 3.433 28.427 32.632 1.00 0.00 O ATOM 460 CB GLU A 30 1.112 30.893 32.836 1.00 0.00 C ATOM 461 CG GLU A 30 0.940 32.192 33.618 1.00 0.00 C ATOM 462 CD GLU A 30 0.341 33.270 32.725 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.582 32.953 31.945 1.00 0.00 O ATOM 464 OE2 GLU A 30 0.796 34.430 32.806 1.00 0.00 O ATOM 0 H GLU A 30 2.524 29.486 30.726 1.00 0.00 H new ATOM 0 HA GLU A 30 3.155 31.540 32.737 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.505 30.927 31.931 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.748 30.056 33.432 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.294 32.023 34.479 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.904 32.523 34.003 1.00 0.00 H new ATOM 471 N VAL A 31 3.230 29.600 34.543 1.00 0.00 N ATOM 472 CA VAL A 31 3.743 28.527 35.394 1.00 0.00 C ATOM 473 C VAL A 31 3.953 29.045 36.812 1.00 0.00 C ATOM 474 O VAL A 31 4.416 30.167 37.017 1.00 0.00 O ATOM 475 CB VAL A 31 5.048 27.950 34.801 1.00 0.00 C ATOM 476 CG1 VAL A 31 5.889 29.044 34.152 1.00 0.00 C ATOM 477 CG2 VAL A 31 5.876 27.194 35.846 1.00 0.00 C ATOM 0 H VAL A 31 2.972 30.449 35.047 1.00 0.00 H new ATOM 0 HA VAL A 31 3.013 27.718 35.435 1.00 0.00 H new ATOM 0 HB VAL A 31 4.752 27.234 34.034 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.801 28.608 33.744 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.320 29.513 33.349 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.149 29.795 34.899 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.783 26.807 35.381 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.144 27.871 36.657 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.291 26.365 36.244 1.00 0.00 H new ATOM 487 N GLU A 32 3.600 28.214 37.785 1.00 0.00 N ATOM 488 CA GLU A 32 3.737 28.570 39.187 1.00 0.00 C ATOM 489 C GLU A 32 4.349 27.412 39.966 1.00 0.00 C ATOM 490 O GLU A 32 4.632 26.355 39.403 1.00 0.00 O ATOM 491 CB GLU A 32 2.368 28.924 39.755 1.00 0.00 C ATOM 492 CG GLU A 32 1.446 27.709 39.786 1.00 0.00 C ATOM 493 CD GLU A 32 0.057 28.089 39.292 1.00 0.00 C ATOM 494 OE1 GLU A 32 -0.092 28.355 38.081 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.881 28.121 40.117 1.00 0.00 O ATOM 0 H GLU A 32 3.214 27.283 37.624 1.00 0.00 H new ATOM 0 HA GLU A 32 4.397 29.433 39.277 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.483 29.321 40.764 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.915 29.711 39.152 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.857 26.916 39.162 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.384 27.316 40.801 1.00 0.00 H new ATOM 502 N LEU A 33 4.558 27.618 41.261 1.00 0.00 N ATOM 503 CA LEU A 33 5.146 26.591 42.114 1.00 0.00 C ATOM 504 C LEU A 33 4.178 26.181 43.217 1.00 0.00 C ATOM 505 O LEU A 33 3.124 26.791 43.394 1.00 0.00 O ATOM 506 CB LEU A 33 6.437 27.114 42.734 1.00 0.00 C ATOM 507 CG LEU A 33 7.662 26.480 42.086 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.940 27.025 42.717 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.612 24.959 42.210 1.00 0.00 C ATOM 0 H LEU A 33 4.329 28.487 41.744 1.00 0.00 H new ATOM 0 HA LEU A 33 5.361 25.716 41.500 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.484 28.197 42.621 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.440 26.904 43.804 1.00 0.00 H new ATOM 0 HG LEU A 33 7.661 26.737 41.027 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.806 26.562 42.243 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.983 28.105 42.576 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.945 26.798 43.783 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.496 24.526 41.741 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.587 24.680 43.264 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.717 24.583 41.714 1.00 0.00 H new ATOM 521 N ARG A 34 4.554 25.144 43.959 1.00 0.00 N ATOM 522 CA ARG A 34 3.739 24.639 45.058 1.00 0.00 C ATOM 523 C ARG A 34 4.635 23.999 46.111 1.00 0.00 C ATOM 524 O ARG A 34 5.861 24.077 46.021 1.00 0.00 O ATOM 525 CB ARG A 34 2.729 23.619 44.540 1.00 0.00 C ATOM 526 CG ARG A 34 1.368 23.798 45.208 1.00 0.00 C ATOM 527 CD ARG A 34 0.865 22.484 45.801 1.00 0.00 C ATOM 528 NE ARG A 34 -0.438 22.139 45.242 1.00 0.00 N ATOM 529 CZ ARG A 34 -1.571 22.448 45.865 1.00 0.00 C ATOM 530 NH1 ARG A 34 -1.578 23.380 46.809 1.00 0.00 N ATOM 531 NH2 ARG A 34 -2.698 21.825 45.546 1.00 0.00 N ATOM 0 H ARG A 34 5.426 24.633 43.817 1.00 0.00 H new ATOM 0 HA ARG A 34 3.196 25.470 45.508 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.623 23.725 43.460 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.099 22.611 44.727 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.442 24.550 45.994 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.648 24.170 44.479 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.579 21.687 45.594 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.791 22.572 46.885 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.481 21.648 44.349 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.713 23.861 47.058 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.448 23.616 47.286 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.696 21.107 44.821 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.566 22.064 46.025 1.00 0.00 H new ATOM 545 N GLU A 35 4.026 23.366 47.108 1.00 0.00 N ATOM 546 CA GLU A 35 4.785 22.718 48.172 1.00 0.00 C ATOM 547 C GLU A 35 4.159 21.380 48.542 1.00 0.00 C ATOM 548 O GLU A 35 4.323 20.896 49.662 1.00 0.00 O ATOM 549 CB GLU A 35 4.842 23.625 49.397 1.00 0.00 C ATOM 550 CG GLU A 35 5.573 24.926 49.082 1.00 0.00 C ATOM 551 CD GLU A 35 6.679 25.169 50.101 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.627 24.358 50.155 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.596 26.170 50.843 1.00 0.00 O ATOM 0 H GLU A 35 3.013 23.288 47.202 1.00 0.00 H new ATOM 0 HA GLU A 35 5.798 22.536 47.813 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.830 23.846 49.738 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.347 23.108 50.213 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.997 24.880 48.079 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.870 25.759 49.093 1.00 0.00 H new ATOM 560 N HIS A 36 3.444 20.782 47.593 1.00 0.00 N ATOM 561 CA HIS A 36 2.794 19.492 47.815 1.00 0.00 C ATOM 562 C HIS A 36 2.020 19.496 49.128 1.00 0.00 C ATOM 563 O HIS A 36 1.900 18.466 49.791 1.00 0.00 O ATOM 564 CB HIS A 36 3.841 18.382 47.836 1.00 0.00 C ATOM 565 CG HIS A 36 3.520 17.259 46.899 1.00 0.00 C ATOM 566 ND1 HIS A 36 2.313 16.608 46.890 1.00 0.00 N ATOM 567 CD2 HIS A 36 4.250 16.657 45.926 1.00 0.00 C ATOM 568 CE1 HIS A 36 2.294 15.666 45.975 1.00 0.00 C ATOM 569 NE2 HIS A 36 3.467 15.666 45.362 1.00 0.00 N ATOM 0 H HIS A 36 3.299 21.170 46.661 1.00 0.00 H new ATOM 0 HA HIS A 36 2.092 19.314 47.000 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.812 18.801 47.573 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.927 17.990 48.849 1.00 0.00 H new ATOM 0 HD1 HIS A 36 1.534 16.826 47.511 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.262 16.907 45.643 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.466 15.007 45.760 1.00 0.00 H new ATOM 577 N GLY A 37 1.496 20.660 49.500 1.00 0.00 N ATOM 578 CA GLY A 37 0.734 20.793 50.737 1.00 0.00 C ATOM 579 C GLY A 37 0.583 22.257 51.128 1.00 0.00 C ATOM 580 O GLY A 37 0.804 22.628 52.280 1.00 0.00 O ATOM 0 H GLY A 37 1.585 21.523 48.964 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.251 20.342 50.612 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.235 20.248 51.538 1.00 0.00 H new ATOM 584 N SER A 38 0.201 23.085 50.162 1.00 0.00 N ATOM 585 CA SER A 38 0.016 24.512 50.407 1.00 0.00 C ATOM 586 C SER A 38 -1.452 24.884 50.252 1.00 0.00 C ATOM 587 O SER A 38 -2.176 24.276 49.463 1.00 0.00 O ATOM 588 CB SER A 38 0.864 25.324 49.432 1.00 0.00 C ATOM 589 OG SER A 38 1.003 26.660 49.889 1.00 0.00 O ATOM 0 H SER A 38 0.013 22.794 49.203 1.00 0.00 H new ATOM 0 HA SER A 38 0.332 24.738 51.425 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.847 24.865 49.326 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.401 25.317 48.445 1.00 0.00 H new ATOM 0 HG SER A 38 1.551 27.168 49.254 1.00 0.00 H new ATOM 595 N ASP A 39 -1.890 25.886 51.009 1.00 0.00 N ATOM 596 CA ASP A 39 -3.277 26.339 50.955 1.00 0.00 C ATOM 597 C ASP A 39 -3.694 26.596 49.513 1.00 0.00 C ATOM 598 O ASP A 39 -4.864 26.449 49.158 1.00 0.00 O ATOM 599 CB ASP A 39 -3.441 27.613 51.779 1.00 0.00 C ATOM 600 CG ASP A 39 -3.903 27.272 53.189 1.00 0.00 C ATOM 601 OD1 ASP A 39 -3.185 26.526 53.887 1.00 0.00 O ATOM 602 OD2 ASP A 39 -4.983 27.752 53.594 1.00 0.00 O ATOM 0 H ASP A 39 -1.305 26.400 51.667 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.916 25.560 51.371 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.495 28.153 51.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.165 28.273 51.301 1.00 0.00 H new ATOM 607 N GLU A 40 -2.728 26.978 48.684 1.00 0.00 N ATOM 608 CA GLU A 40 -2.988 27.254 47.276 1.00 0.00 C ATOM 609 C GLU A 40 -1.678 27.460 46.527 1.00 0.00 C ATOM 610 O GLU A 40 -0.691 27.922 47.099 1.00 0.00 O ATOM 611 CB GLU A 40 -3.869 28.494 47.138 1.00 0.00 C ATOM 612 CG GLU A 40 -3.137 29.750 47.603 1.00 0.00 C ATOM 613 CD GLU A 40 -4.046 30.592 48.488 1.00 0.00 C ATOM 614 OE1 GLU A 40 -5.170 30.916 48.049 1.00 0.00 O ATOM 615 OE2 GLU A 40 -3.634 30.926 49.618 1.00 0.00 O ATOM 0 H GLU A 40 -1.755 27.104 48.964 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.509 26.399 46.844 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.174 28.612 46.098 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.779 28.363 47.724 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.237 29.473 48.153 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.816 30.333 46.740 1.00 0.00 H new ATOM 622 N TRP A 41 -1.677 27.114 45.244 1.00 0.00 N ATOM 623 CA TRP A 41 -0.489 27.260 44.410 1.00 0.00 C ATOM 624 C TRP A 41 0.064 28.674 44.520 1.00 0.00 C ATOM 625 O TRP A 41 -0.672 29.617 44.809 1.00 0.00 O ATOM 626 CB TRP A 41 -0.833 26.947 42.957 1.00 0.00 C ATOM 627 CG TRP A 41 -1.071 25.486 42.721 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.204 24.781 43.025 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.152 24.544 42.130 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.022 23.477 42.654 1.00 0.00 N ATOM 631 CE2 TRP A 41 -0.789 23.297 42.108 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.144 24.635 41.620 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.174 22.165 41.598 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.766 23.505 41.108 1.00 0.00 C ATOM 635 CH2 TRP A 41 1.112 22.280 41.097 1.00 0.00 C ATOM 0 H TRP A 41 -2.487 26.730 44.758 1.00 0.00 H new ATOM 0 HA TRP A 41 0.271 26.560 44.756 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.723 27.507 42.670 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.021 27.287 42.314 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.094 25.187 43.482 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.717 22.739 42.771 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.662 25.583 41.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.686 21.214 41.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.769 23.579 40.714 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.610 21.410 40.695 1.00 0.00 H new ATOM 646 N VAL A 42 1.365 28.815 44.291 1.00 0.00 N ATOM 647 CA VAL A 42 2.018 30.117 44.368 1.00 0.00 C ATOM 648 C VAL A 42 2.697 30.451 43.047 1.00 0.00 C ATOM 649 O VAL A 42 3.592 29.734 42.598 1.00 0.00 O ATOM 650 CB VAL A 42 3.042 30.115 45.497 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.346 29.975 46.847 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.056 28.991 45.298 1.00 0.00 C ATOM 0 H VAL A 42 1.988 28.044 44.051 1.00 0.00 H new ATOM 0 HA VAL A 42 1.263 30.877 44.571 1.00 0.00 H new ATOM 0 HB VAL A 42 3.575 31.065 45.481 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.091 29.975 47.642 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.661 30.810 46.991 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.788 29.039 46.873 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.779 29.005 46.113 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.539 28.032 45.288 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.575 29.133 44.350 1.00 0.00 H new ATOM 662 N ALA A 43 2.266 31.545 42.428 1.00 0.00 N ATOM 663 CA ALA A 43 2.829 31.981 41.155 1.00 0.00 C ATOM 664 C ALA A 43 4.345 32.088 41.251 1.00 0.00 C ATOM 665 O ALA A 43 4.899 32.248 42.339 1.00 0.00 O ATOM 666 CB ALA A 43 2.239 33.331 40.761 1.00 0.00 C ATOM 0 H ALA A 43 1.526 32.148 42.789 1.00 0.00 H new ATOM 0 HA ALA A 43 2.579 31.243 40.393 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.664 33.650 39.809 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.157 33.241 40.663 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.473 34.069 41.529 1.00 0.00 H new ATOM 672 N MET A 44 5.013 32.000 40.105 1.00 0.00 N ATOM 673 CA MET A 44 6.468 32.088 40.056 1.00 0.00 C ATOM 674 C MET A 44 6.906 33.519 39.774 1.00 0.00 C ATOM 675 O MET A 44 6.078 34.426 39.687 1.00 0.00 O ATOM 676 CB MET A 44 7.009 31.157 38.977 1.00 0.00 C ATOM 677 CG MET A 44 7.696 29.943 39.593 1.00 0.00 C ATOM 678 SD MET A 44 9.422 30.262 39.992 1.00 0.00 S ATOM 679 CE MET A 44 10.109 28.603 39.880 1.00 0.00 C ATOM 0 H MET A 44 4.569 31.868 39.196 1.00 0.00 H new ATOM 0 HA MET A 44 6.868 31.786 41.024 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.193 30.829 38.333 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.715 31.697 38.347 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.165 29.649 40.498 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.635 29.104 38.900 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.961 28.516 40.554 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.348 27.874 40.161 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.434 28.412 38.857 1.00 0.00 H new ATOM 689 N THR A 45 8.213 33.716 39.635 1.00 0.00 N ATOM 690 CA THR A 45 8.764 35.039 39.366 1.00 0.00 C ATOM 691 C THR A 45 9.702 34.994 38.167 1.00 0.00 C ATOM 692 O THR A 45 10.819 34.485 38.260 1.00 0.00 O ATOM 693 CB THR A 45 9.517 35.546 40.593 1.00 0.00 C ATOM 694 OG1 THR A 45 8.651 35.571 41.717 1.00 0.00 O ATOM 695 CG2 THR A 45 10.087 36.939 40.341 1.00 0.00 C ATOM 0 H THR A 45 8.911 32.975 39.704 1.00 0.00 H new ATOM 0 HA THR A 45 7.942 35.718 39.140 1.00 0.00 H new ATOM 0 HB THR A 45 10.346 34.867 40.794 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.142 35.896 42.501 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.619 37.280 41.229 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.775 36.903 39.496 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.274 37.630 40.118 1.00 0.00 H new ATOM 703 N LYS A 46 9.245 35.533 37.042 1.00 0.00 N ATOM 704 CA LYS A 46 10.048 35.558 35.824 1.00 0.00 C ATOM 705 C LYS A 46 11.088 36.666 35.910 1.00 0.00 C ATOM 706 O LYS A 46 10.814 37.817 35.568 1.00 0.00 O ATOM 707 CB LYS A 46 9.148 35.773 34.608 1.00 0.00 C ATOM 708 CG LYS A 46 7.950 34.830 34.635 1.00 0.00 C ATOM 709 CD LYS A 46 7.231 34.811 33.289 1.00 0.00 C ATOM 710 CE LYS A 46 6.848 36.220 32.847 1.00 0.00 C ATOM 711 NZ LYS A 46 6.386 36.235 31.430 1.00 0.00 N ATOM 0 H LYS A 46 8.323 35.959 36.948 1.00 0.00 H new ATOM 0 HA LYS A 46 10.560 34.602 35.717 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.801 36.806 34.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.721 35.611 33.695 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.282 33.823 34.887 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.257 35.141 35.416 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.874 34.353 32.537 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.335 34.194 33.361 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.059 36.605 33.493 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.705 36.885 32.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.133 37.206 31.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.149 35.890 30.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.554 35.619 31.330 1.00 0.00 H new ATOM 725 N GLY A 47 12.284 36.316 36.377 1.00 0.00 N ATOM 726 CA GLY A 47 13.363 37.288 36.517 1.00 0.00 C ATOM 727 C GLY A 47 14.647 36.786 35.869 1.00 0.00 C ATOM 728 O GLY A 47 15.358 37.547 35.213 1.00 0.00 O ATOM 0 H GLY A 47 12.529 35.368 36.664 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.067 38.232 36.059 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.540 37.488 37.574 1.00 0.00 H new ATOM 732 N GLU A 48 14.947 35.502 36.057 1.00 0.00 N ATOM 733 CA GLU A 48 16.151 34.905 35.492 1.00 0.00 C ATOM 734 C GLU A 48 16.275 35.245 34.012 1.00 0.00 C ATOM 735 O GLU A 48 17.366 35.532 33.519 1.00 0.00 O ATOM 736 CB GLU A 48 16.110 33.391 35.673 1.00 0.00 C ATOM 737 CG GLU A 48 17.190 32.920 36.644 1.00 0.00 C ATOM 738 CD GLU A 48 18.571 33.256 36.097 1.00 0.00 C ATOM 739 OE1 GLU A 48 18.694 33.450 34.869 1.00 0.00 O ATOM 740 OE2 GLU A 48 19.527 33.327 36.897 1.00 0.00 O ATOM 0 H GLU A 48 14.371 34.856 36.597 1.00 0.00 H new ATOM 0 HA GLU A 48 17.018 35.309 36.015 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.129 33.093 36.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.247 32.903 34.708 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.049 33.396 37.615 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.105 31.845 36.801 1.00 0.00 H new ATOM 747 N GLY A 49 15.151 35.204 33.306 1.00 0.00 N ATOM 748 CA GLY A 49 15.130 35.501 31.878 1.00 0.00 C ATOM 749 C GLY A 49 15.189 34.211 31.072 1.00 0.00 C ATOM 750 O GLY A 49 14.604 34.112 29.993 1.00 0.00 O ATOM 0 H GLY A 49 14.240 34.967 33.700 1.00 0.00 H new ATOM 0 HA2 GLY A 49 14.225 36.054 31.627 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.975 36.139 31.619 1.00 0.00 H new ATOM 754 N GLY A 50 15.895 33.222 31.609 1.00 0.00 N ATOM 755 CA GLY A 50 16.032 31.929 30.950 1.00 0.00 C ATOM 756 C GLY A 50 15.210 30.869 31.674 1.00 0.00 C ATOM 757 O GLY A 50 14.816 29.865 31.081 1.00 0.00 O ATOM 0 H GLY A 50 16.383 33.292 32.502 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.704 32.006 29.913 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.081 31.634 30.931 1.00 0.00 H new ATOM 761 N VAL A 51 14.953 31.099 32.960 1.00 0.00 N ATOM 762 CA VAL A 51 14.176 30.166 33.767 1.00 0.00 C ATOM 763 C VAL A 51 13.408 30.913 34.847 1.00 0.00 C ATOM 764 O VAL A 51 13.510 32.134 34.963 1.00 0.00 O ATOM 765 CB VAL A 51 15.099 29.138 34.409 1.00 0.00 C ATOM 766 CG1 VAL A 51 15.686 28.214 33.344 1.00 0.00 C ATOM 767 CG2 VAL A 51 16.209 29.835 35.190 1.00 0.00 C ATOM 0 H VAL A 51 15.273 31.926 33.465 1.00 0.00 H new ATOM 0 HA VAL A 51 13.465 29.654 33.119 1.00 0.00 H new ATOM 0 HB VAL A 51 14.518 28.533 35.106 1.00 0.00 H new ATOM 0 HG11 VAL A 51 16.343 27.485 33.817 1.00 0.00 H new ATOM 0 HG12 VAL A 51 14.879 27.694 32.828 1.00 0.00 H new ATOM 0 HG13 VAL A 51 16.255 28.803 32.625 1.00 0.00 H new ATOM 0 HG21 VAL A 51 16.860 29.087 35.643 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.791 30.462 34.514 1.00 0.00 H new ATOM 0 HG23 VAL A 51 15.770 30.455 35.972 1.00 0.00 H new ATOM 777 N TRP A 52 12.627 30.174 35.626 1.00 0.00 N ATOM 778 CA TRP A 52 11.825 30.766 36.690 1.00 0.00 C ATOM 779 C TRP A 52 12.437 30.488 38.058 1.00 0.00 C ATOM 780 O TRP A 52 12.859 29.369 38.347 1.00 0.00 O ATOM 781 CB TRP A 52 10.417 30.195 36.618 1.00 0.00 C ATOM 782 CG TRP A 52 9.899 30.152 35.215 1.00 0.00 C ATOM 783 CD1 TRP A 52 9.262 29.110 34.609 1.00 0.00 C ATOM 784 CD2 TRP A 52 9.997 31.198 34.229 1.00 0.00 C ATOM 785 NE1 TRP A 52 8.942 29.473 33.329 1.00 0.00 N ATOM 786 CE2 TRP A 52 9.377 30.736 33.063 1.00 0.00 C ATOM 787 CE3 TRP A 52 10.541 32.482 34.226 1.00 0.00 C ATOM 788 CZ2 TRP A 52 9.290 31.514 31.919 1.00 0.00 C ATOM 789 CZ3 TRP A 52 10.461 33.263 33.085 1.00 0.00 C ATOM 790 CH2 TRP A 52 9.840 32.785 31.943 1.00 0.00 C ATOM 0 H TRP A 52 12.532 29.162 35.541 1.00 0.00 H new ATOM 0 HA TRP A 52 11.796 31.847 36.555 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.412 29.189 37.037 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.749 30.799 37.232 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.046 28.155 35.064 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.446 28.879 32.665 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.024 32.867 35.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.805 31.138 31.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.887 34.255 33.086 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.784 33.409 31.063 1.00 0.00 H new ATOM 801 N THR A 53 12.474 31.519 38.898 1.00 0.00 N ATOM 802 CA THR A 53 13.026 31.400 40.244 1.00 0.00 C ATOM 803 C THR A 53 11.933 31.633 41.280 1.00 0.00 C ATOM 804 O THR A 53 10.996 32.396 41.044 1.00 0.00 O ATOM 805 CB THR A 53 14.151 32.412 40.438 1.00 0.00 C ATOM 806 OG1 THR A 53 13.857 33.606 39.731 1.00 0.00 O ATOM 807 CG2 THR A 53 15.484 31.838 39.965 1.00 0.00 C ATOM 0 H THR A 53 12.126 32.450 38.669 1.00 0.00 H new ATOM 0 HA THR A 53 13.427 30.395 40.373 1.00 0.00 H new ATOM 0 HB THR A 53 14.232 32.637 41.502 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.583 34.251 39.862 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.271 32.577 40.113 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.717 30.940 40.537 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.417 31.586 38.907 1.00 0.00 H new ATOM 815 N PHE A 54 12.054 30.972 42.426 1.00 0.00 N ATOM 816 CA PHE A 54 11.069 31.109 43.495 1.00 0.00 C ATOM 817 C PHE A 54 11.725 31.630 44.767 1.00 0.00 C ATOM 818 O PHE A 54 12.938 31.518 44.943 1.00 0.00 O ATOM 819 CB PHE A 54 10.406 29.761 43.766 1.00 0.00 C ATOM 820 CG PHE A 54 9.309 29.842 44.798 1.00 0.00 C ATOM 821 CD1 PHE A 54 8.149 30.548 44.523 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.461 29.210 46.021 1.00 0.00 C ATOM 823 CE1 PHE A 54 7.142 30.621 45.471 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.453 29.284 46.969 1.00 0.00 C ATOM 825 CZ PHE A 54 7.294 29.989 46.693 1.00 0.00 C ATOM 0 H PHE A 54 12.823 30.337 42.639 1.00 0.00 H new ATOM 0 HA PHE A 54 10.311 31.826 43.178 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.994 29.371 42.835 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.162 29.051 44.102 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.030 31.041 43.570 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.365 28.660 46.236 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.238 31.171 45.257 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.572 28.792 47.923 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.508 30.046 47.432 1.00 0.00 H new ATOM 835 N ASP A 55 10.913 32.200 45.651 1.00 0.00 N ATOM 836 CA ASP A 55 11.408 32.741 46.912 1.00 0.00 C ATOM 837 C ASP A 55 10.848 31.946 48.084 1.00 0.00 C ATOM 838 O ASP A 55 9.634 31.876 48.276 1.00 0.00 O ATOM 839 CB ASP A 55 11.007 34.208 47.040 1.00 0.00 C ATOM 840 CG ASP A 55 9.497 34.353 46.904 1.00 0.00 C ATOM 841 OD1 ASP A 55 8.979 34.159 45.784 1.00 0.00 O ATOM 842 OD2 ASP A 55 8.835 34.662 47.917 1.00 0.00 O ATOM 0 H ASP A 55 9.907 32.299 45.517 1.00 0.00 H new ATOM 0 HA ASP A 55 12.495 32.664 46.924 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.332 34.599 48.004 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.507 34.798 46.272 1.00 0.00 H new ATOM 847 N SER A 56 11.740 31.346 48.866 1.00 0.00 N ATOM 848 CA SER A 56 11.336 30.552 50.022 1.00 0.00 C ATOM 849 C SER A 56 11.293 31.417 51.275 1.00 0.00 C ATOM 850 O SER A 56 11.943 32.460 51.344 1.00 0.00 O ATOM 851 CB SER A 56 12.309 29.395 50.223 1.00 0.00 C ATOM 852 OG SER A 56 13.433 29.815 50.980 1.00 0.00 O ATOM 0 H SER A 56 12.748 31.394 48.720 1.00 0.00 H new ATOM 0 HA SER A 56 10.338 30.154 49.839 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.806 28.574 50.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.637 29.016 49.255 1.00 0.00 H new ATOM 0 HG SER A 56 14.242 29.745 50.431 1.00 0.00 H new ATOM 858 N GLU A 57 10.520 30.978 52.263 1.00 0.00 N ATOM 859 CA GLU A 57 10.387 31.711 53.517 1.00 0.00 C ATOM 860 C GLU A 57 10.898 30.872 54.683 1.00 0.00 C ATOM 861 O GLU A 57 11.683 31.347 55.503 1.00 0.00 O ATOM 862 CB GLU A 57 8.926 32.088 53.746 1.00 0.00 C ATOM 863 CG GLU A 57 8.677 33.558 53.420 1.00 0.00 C ATOM 864 CD GLU A 57 8.091 33.697 52.021 1.00 0.00 C ATOM 865 OE1 GLU A 57 7.368 32.777 51.584 1.00 0.00 O ATOM 866 OE2 GLU A 57 8.357 34.725 51.364 1.00 0.00 O ATOM 0 H GLU A 57 9.975 30.117 52.219 1.00 0.00 H new ATOM 0 HA GLU A 57 10.986 32.620 53.455 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.285 31.462 53.126 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.656 31.892 54.784 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.994 33.989 54.152 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.611 34.116 53.488 1.00 0.00 H new ATOM 873 N GLU A 58 10.449 29.621 54.752 1.00 0.00 N ATOM 874 CA GLU A 58 10.865 28.717 55.821 1.00 0.00 C ATOM 875 C GLU A 58 11.910 27.731 55.307 1.00 0.00 C ATOM 876 O GLU A 58 11.995 27.478 54.105 1.00 0.00 O ATOM 877 CB GLU A 58 9.642 27.966 56.381 1.00 0.00 C ATOM 878 CG GLU A 58 9.241 26.761 55.517 1.00 0.00 C ATOM 879 CD GLU A 58 7.815 26.336 55.839 1.00 0.00 C ATOM 880 OE1 GLU A 58 6.895 27.164 55.673 1.00 0.00 O ATOM 881 OE2 GLU A 58 7.620 25.176 56.258 1.00 0.00 O ATOM 0 H GLU A 58 9.798 29.211 54.082 1.00 0.00 H new ATOM 0 HA GLU A 58 11.313 29.303 56.624 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.862 27.626 57.393 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.799 28.654 56.452 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.322 27.018 54.461 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.925 25.932 55.697 1.00 0.00 H new ATOM 888 N PRO A 59 12.697 27.135 56.215 1.00 0.00 N ATOM 889 CA PRO A 59 13.712 26.143 55.840 1.00 0.00 C ATOM 890 C PRO A 59 13.039 24.881 55.315 1.00 0.00 C ATOM 891 O PRO A 59 11.881 24.927 54.900 1.00 0.00 O ATOM 892 CB PRO A 59 14.470 25.889 57.141 1.00 0.00 C ATOM 893 CG PRO A 59 13.514 26.246 58.225 1.00 0.00 C ATOM 894 CD PRO A 59 12.644 27.343 57.672 1.00 0.00 C ATOM 0 HA PRO A 59 14.377 26.476 55.043 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.782 24.847 57.218 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.373 26.497 57.196 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.915 25.383 58.516 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.044 26.581 59.117 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.624 27.272 58.049 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.019 28.328 57.949 1.00 0.00 H new ATOM 902 N LEU A 60 13.737 23.754 55.345 1.00 0.00 N ATOM 903 CA LEU A 60 13.168 22.512 54.888 1.00 0.00 C ATOM 904 C LEU A 60 12.733 22.616 53.430 1.00 0.00 C ATOM 905 O LEU A 60 11.762 23.300 53.108 1.00 0.00 O ATOM 906 CB LEU A 60 11.987 22.183 55.772 1.00 0.00 C ATOM 907 CG LEU A 60 12.422 21.960 57.217 1.00 0.00 C ATOM 908 CD1 LEU A 60 11.343 22.442 58.182 1.00 0.00 C ATOM 909 CD2 LEU A 60 12.738 20.486 57.459 1.00 0.00 C ATOM 0 H LEU A 60 14.697 23.683 55.682 1.00 0.00 H new ATOM 0 HA LEU A 60 13.914 21.720 54.948 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.261 22.995 55.730 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.488 21.289 55.398 1.00 0.00 H new ATOM 0 HG LEU A 60 13.327 22.540 57.397 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.671 22.275 59.208 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.165 23.506 58.027 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.421 21.890 58.002 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.047 20.345 58.495 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.850 19.886 57.260 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.543 20.173 56.795 1.00 0.00 H new ATOM 921 N GLN A 61 13.458 21.930 52.553 1.00 0.00 N ATOM 922 CA GLN A 61 13.152 21.941 51.126 1.00 0.00 C ATOM 923 C GLN A 61 12.528 20.615 50.704 1.00 0.00 C ATOM 924 O GLN A 61 13.221 19.607 50.572 1.00 0.00 O ATOM 925 CB GLN A 61 14.427 22.194 50.327 1.00 0.00 C ATOM 926 CG GLN A 61 15.044 23.543 50.684 1.00 0.00 C ATOM 927 CD GLN A 61 15.815 23.440 51.994 1.00 0.00 C ATOM 928 OE1 GLN A 61 16.450 22.423 52.274 1.00 0.00 O ATOM 929 NE2 GLN A 61 15.761 24.496 52.798 1.00 0.00 N ATOM 0 H GLN A 61 14.264 21.358 52.806 1.00 0.00 H new ATOM 0 HA GLN A 61 12.438 22.740 50.927 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.146 21.399 50.524 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.203 22.165 49.261 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.711 23.868 49.886 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.262 24.297 50.773 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.222 25.318 52.525 1.00 0.00 H new ATOM 0 HE22 GLN A 61 16.259 24.485 53.688 1.00 0.00 H new ATOM 938 N GLY A 62 11.215 20.624 50.493 1.00 0.00 N ATOM 939 CA GLY A 62 10.494 19.422 50.086 1.00 0.00 C ATOM 940 C GLY A 62 10.327 19.374 48.571 1.00 0.00 C ATOM 941 O GLY A 62 10.989 20.113 47.842 1.00 0.00 O ATOM 0 H GLY A 62 10.628 21.452 50.597 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.033 18.537 50.425 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.515 19.401 50.565 1.00 0.00 H new ATOM 945 N PRO A 63 9.432 18.499 48.076 1.00 0.00 N ATOM 946 CA PRO A 63 9.177 18.356 46.635 1.00 0.00 C ATOM 947 C PRO A 63 8.355 19.515 46.084 1.00 0.00 C ATOM 948 O PRO A 63 7.335 19.894 46.660 1.00 0.00 O ATOM 949 CB PRO A 63 8.406 17.047 46.525 1.00 0.00 C ATOM 950 CG PRO A 63 7.753 16.856 47.855 1.00 0.00 C ATOM 951 CD PRO A 63 8.599 17.582 48.875 1.00 0.00 C ATOM 0 HA PRO A 63 10.101 18.358 46.056 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.665 17.094 45.727 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.073 16.217 46.292 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.737 17.252 47.846 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.680 15.796 48.099 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.981 18.127 49.588 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.212 16.887 49.450 1.00 0.00 H new ATOM 959 N PHE A 64 8.805 20.076 44.966 1.00 0.00 N ATOM 960 CA PHE A 64 8.110 21.194 44.339 1.00 0.00 C ATOM 961 C PHE A 64 7.153 20.693 43.267 1.00 0.00 C ATOM 962 O PHE A 64 7.382 19.651 42.652 1.00 0.00 O ATOM 963 CB PHE A 64 9.120 22.154 43.717 1.00 0.00 C ATOM 964 CG PHE A 64 9.826 23.011 44.735 1.00 0.00 C ATOM 965 CD1 PHE A 64 9.097 23.822 45.589 1.00 0.00 C ATOM 966 CD2 PHE A 64 11.208 22.991 44.814 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.750 24.612 46.521 1.00 0.00 C ATOM 968 CE2 PHE A 64 11.862 23.780 45.745 1.00 0.00 C ATOM 969 CZ PHE A 64 11.133 24.591 46.598 1.00 0.00 C ATOM 0 H PHE A 64 9.647 19.775 44.476 1.00 0.00 H new ATOM 0 HA PHE A 64 7.538 21.718 45.105 1.00 0.00 H new ATOM 0 HB2 PHE A 64 9.860 21.581 43.158 1.00 0.00 H new ATOM 0 HB3 PHE A 64 8.608 22.798 43.002 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.019 23.838 45.528 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.777 22.359 44.148 1.00 0.00 H new ATOM 0 HE1 PHE A 64 9.181 25.244 47.187 1.00 0.00 H new ATOM 0 HE2 PHE A 64 12.940 23.763 45.806 1.00 0.00 H new ATOM 0 HZ PHE A 64 11.643 25.207 47.324 1.00 0.00 H new ATOM 979 N ASN A 65 6.084 21.447 43.043 1.00 0.00 N ATOM 980 CA ASN A 65 5.090 21.092 42.039 1.00 0.00 C ATOM 981 C ASN A 65 4.796 22.296 41.158 1.00 0.00 C ATOM 982 O ASN A 65 4.737 23.428 41.640 1.00 0.00 O ATOM 983 CB ASN A 65 3.810 20.610 42.716 1.00 0.00 C ATOM 984 CG ASN A 65 4.129 19.515 43.726 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.820 18.344 43.505 1.00 0.00 O ATOM 986 ND2 ASN A 65 4.748 19.896 44.837 1.00 0.00 N ATOM 0 H ASN A 65 5.883 22.312 43.546 1.00 0.00 H new ATOM 0 HA ASN A 65 5.482 20.286 41.419 1.00 0.00 H new ATOM 0 HB2 ASN A 65 3.318 21.444 43.216 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.114 20.232 41.967 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.987 19.207 45.550 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.985 20.878 44.978 1.00 0.00 H new ATOM 993 N PHE A 66 4.623 22.053 39.864 1.00 0.00 N ATOM 994 CA PHE A 66 4.346 23.126 38.916 1.00 0.00 C ATOM 995 C PHE A 66 3.050 22.858 38.161 1.00 0.00 C ATOM 996 O PHE A 66 2.376 21.854 38.392 1.00 0.00 O ATOM 997 CB PHE A 66 5.498 23.256 37.924 1.00 0.00 C ATOM 998 CG PHE A 66 6.765 23.791 38.547 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.613 22.941 39.241 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.089 25.132 38.416 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.780 23.434 39.804 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.256 25.622 38.977 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.101 24.773 39.671 1.00 0.00 C ATOM 0 H PHE A 66 4.670 21.123 39.447 1.00 0.00 H new ATOM 0 HA PHE A 66 4.240 24.056 39.474 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.702 22.280 37.484 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.195 23.915 37.110 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.364 21.895 39.343 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.430 25.796 37.876 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.439 22.772 40.347 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.507 26.667 38.873 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.011 25.156 40.109 1.00 0.00 H new ATOM 1013 N ARG A 67 2.713 23.767 37.252 1.00 0.00 N ATOM 1014 CA ARG A 67 1.504 23.651 36.443 1.00 0.00 C ATOM 1015 C ARG A 67 1.439 24.809 35.458 1.00 0.00 C ATOM 1016 O ARG A 67 0.677 25.758 35.646 1.00 0.00 O ATOM 1017 CB ARG A 67 0.268 23.654 37.338 1.00 0.00 C ATOM 1018 CG ARG A 67 0.257 24.867 38.262 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.163 25.379 38.479 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.597 26.166 37.329 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.874 26.484 37.142 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.791 25.530 37.059 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.235 27.755 37.038 1.00 0.00 N ATOM 0 H ARG A 67 3.267 24.601 37.056 1.00 0.00 H new ATOM 0 HA ARG A 67 1.531 22.711 35.892 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.631 23.656 36.721 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.245 22.741 37.933 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.702 24.601 39.221 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.871 25.659 37.834 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.841 24.539 38.631 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.204 25.988 39.382 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.902 26.480 36.651 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.517 24.551 37.139 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.771 25.775 36.916 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.532 28.492 37.101 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.216 27.997 36.895 1.00 0.00 H new ATOM 1037 N PHE A 68 2.257 24.731 34.415 1.00 0.00 N ATOM 1038 CA PHE A 68 2.318 25.777 33.400 1.00 0.00 C ATOM 1039 C PHE A 68 1.040 25.826 32.580 1.00 0.00 C ATOM 1040 O PHE A 68 0.116 25.040 32.785 1.00 0.00 O ATOM 1041 CB PHE A 68 3.505 25.534 32.475 1.00 0.00 C ATOM 1042 CG PHE A 68 3.510 24.144 31.889 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.574 23.787 30.933 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.450 23.219 32.315 1.00 0.00 C ATOM 1045 CE1 PHE A 68 2.578 22.506 30.404 1.00 0.00 C ATOM 1046 CE2 PHE A 68 4.455 21.940 31.786 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.519 21.583 30.830 1.00 0.00 C ATOM 0 H PHE A 68 2.891 23.949 34.249 1.00 0.00 H new ATOM 0 HA PHE A 68 2.436 26.733 33.910 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.486 26.265 31.667 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.430 25.694 33.028 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.841 24.507 30.600 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.180 23.497 33.061 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.847 22.227 29.659 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.189 21.221 32.119 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.523 20.585 30.417 1.00 0.00 H new ATOM 1057 N LEU A 69 1.012 26.760 31.640 1.00 0.00 N ATOM 1058 CA LEU A 69 -0.128 26.944 30.753 1.00 0.00 C ATOM 1059 C LEU A 69 0.372 27.314 29.366 1.00 0.00 C ATOM 1060 O LEU A 69 0.258 28.464 28.944 1.00 0.00 O ATOM 1061 CB LEU A 69 -1.043 28.041 31.291 1.00 0.00 C ATOM 1062 CG LEU A 69 -1.268 27.885 32.793 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.955 29.123 33.363 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -2.093 26.634 33.082 1.00 0.00 C ATOM 0 H LEU A 69 1.778 27.411 31.471 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.697 26.016 30.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.604 29.017 31.086 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.001 28.007 30.772 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.298 27.777 33.277 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.107 28.994 34.435 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.330 29.999 33.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.919 29.262 32.874 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.244 26.538 34.157 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.060 26.713 32.585 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.565 25.756 32.710 1.00 0.00 H new ATOM 1076 N THR A 70 0.948 26.325 28.676 1.00 0.00 N ATOM 1077 CA THR A 70 1.510 26.501 27.329 1.00 0.00 C ATOM 1078 C THR A 70 0.764 27.558 26.520 1.00 0.00 C ATOM 1079 O THR A 70 -0.466 27.580 26.485 1.00 0.00 O ATOM 1080 CB THR A 70 1.475 25.171 26.585 1.00 0.00 C ATOM 1081 OG1 THR A 70 0.131 24.754 26.401 1.00 0.00 O ATOM 1082 CG2 THR A 70 2.254 24.105 27.349 1.00 0.00 C ATOM 0 H THR A 70 1.039 25.375 29.036 1.00 0.00 H new ATOM 0 HA THR A 70 2.538 26.845 27.446 1.00 0.00 H new ATOM 0 HB THR A 70 1.944 25.307 25.610 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.049 24.282 25.546 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.216 23.164 26.801 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.292 24.420 27.457 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.811 23.968 28.336 1.00 0.00 H new ATOM 1090 N GLU A 71 1.527 28.433 25.871 1.00 0.00 N ATOM 1091 CA GLU A 71 0.958 29.501 25.056 1.00 0.00 C ATOM 1092 C GLU A 71 -0.081 28.939 24.093 1.00 0.00 C ATOM 1093 O GLU A 71 -1.008 29.640 23.687 1.00 0.00 O ATOM 1094 CB GLU A 71 2.065 30.202 24.275 1.00 0.00 C ATOM 1095 CG GLU A 71 3.197 30.648 25.197 1.00 0.00 C ATOM 1096 CD GLU A 71 3.208 32.166 25.316 1.00 0.00 C ATOM 1097 OE1 GLU A 71 2.208 32.733 25.805 1.00 0.00 O ATOM 1098 OE2 GLU A 71 4.218 32.787 24.920 1.00 0.00 O ATOM 0 H GLU A 71 2.547 28.422 25.894 1.00 0.00 H new ATOM 0 HA GLU A 71 0.471 30.221 25.713 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.458 29.529 23.513 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.654 31.067 23.755 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.072 30.199 26.182 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.153 30.299 24.807 1.00 0.00 H new ATOM 1105 N LYS A 72 0.081 27.670 23.733 1.00 0.00 N ATOM 1106 CA LYS A 72 -0.842 27.008 22.819 1.00 0.00 C ATOM 1107 C LYS A 72 -2.230 26.928 23.442 1.00 0.00 C ATOM 1108 O LYS A 72 -3.237 27.148 22.769 1.00 0.00 O ATOM 1109 CB LYS A 72 -0.334 25.607 22.491 1.00 0.00 C ATOM 1110 CG LYS A 72 -0.926 25.095 21.181 1.00 0.00 C ATOM 1111 CD LYS A 72 -2.054 24.099 21.436 1.00 0.00 C ATOM 1112 CE LYS A 72 -2.407 23.327 20.168 1.00 0.00 C ATOM 1113 NZ LYS A 72 -1.475 22.184 19.952 1.00 0.00 N ATOM 0 H LYS A 72 0.845 27.079 24.061 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.904 27.588 21.898 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.754 25.619 22.421 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.593 24.925 23.301 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.304 25.934 20.597 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.145 24.620 20.587 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.756 23.401 22.219 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.935 24.628 21.799 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.430 22.957 20.238 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.369 23.997 19.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.741 21.679 19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.503 22.541 19.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.531 21.533 20.761 1.00 0.00 H new ATOM 1127 N GLY A 73 -2.275 26.614 24.733 1.00 0.00 N ATOM 1128 CA GLY A 73 -3.541 26.508 25.451 1.00 0.00 C ATOM 1129 C GLY A 73 -3.688 25.133 26.091 1.00 0.00 C ATOM 1130 O GLY A 73 -4.571 24.358 25.723 1.00 0.00 O ATOM 0 H GLY A 73 -1.450 26.429 25.303 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.594 27.279 26.220 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.369 26.685 24.765 1.00 0.00 H new ATOM 1134 N MET A 74 -2.821 24.836 27.054 1.00 0.00 N ATOM 1135 CA MET A 74 -2.857 23.552 27.747 1.00 0.00 C ATOM 1136 C MET A 74 -2.227 23.675 29.129 1.00 0.00 C ATOM 1137 O MET A 74 -1.274 24.429 29.322 1.00 0.00 O ATOM 1138 CB MET A 74 -2.115 22.497 26.932 1.00 0.00 C ATOM 1139 CG MET A 74 -2.916 22.084 25.702 1.00 0.00 C ATOM 1140 SD MET A 74 -2.680 20.350 25.281 1.00 0.00 S ATOM 1141 CE MET A 74 -4.242 19.980 24.470 1.00 0.00 C ATOM 0 H MET A 74 -2.085 25.466 27.372 1.00 0.00 H new ATOM 0 HA MET A 74 -3.898 23.249 27.862 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.146 22.888 26.623 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.922 21.623 27.554 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.975 22.271 25.882 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.622 22.704 24.855 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.248 18.938 24.151 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.063 20.151 25.166 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.363 20.626 23.601 1.00 0.00 H new ATOM 1151 N LYS A 75 -2.765 22.928 30.087 1.00 0.00 N ATOM 1152 CA LYS A 75 -2.257 22.950 31.457 1.00 0.00 C ATOM 1153 C LYS A 75 -1.819 21.553 31.875 1.00 0.00 C ATOM 1154 O LYS A 75 -1.873 20.613 31.082 1.00 0.00 O ATOM 1155 CB LYS A 75 -3.335 23.461 32.415 1.00 0.00 C ATOM 1156 CG LYS A 75 -4.163 24.581 31.788 1.00 0.00 C ATOM 1157 CD LYS A 75 -5.215 24.019 30.836 1.00 0.00 C ATOM 1158 CE LYS A 75 -6.625 24.389 31.287 1.00 0.00 C ATOM 1159 NZ LYS A 75 -7.647 23.533 30.622 1.00 0.00 N ATOM 0 H LYS A 75 -3.554 22.298 29.941 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.399 23.621 31.498 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.991 22.638 32.697 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.867 23.823 33.330 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.650 25.160 32.572 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.507 25.264 31.248 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.040 24.402 29.831 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.120 22.934 30.785 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.704 24.280 32.369 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.820 25.437 31.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.595 23.808 30.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.586 23.657 29.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.474 22.536 30.862 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.387 21.420 33.125 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.942 20.131 33.649 1.00 0.00 C ATOM 1175 C ASN A 76 -0.346 20.298 35.040 1.00 0.00 C ATOM 1176 O ASN A 76 -0.219 21.414 35.544 1.00 0.00 O ATOM 1177 CB ASN A 76 0.095 19.516 32.712 1.00 0.00 C ATOM 1178 CG ASN A 76 -0.494 18.306 31.999 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -1.708 18.106 31.993 1.00 0.00 O ATOM 1180 ND2 ASN A 76 0.368 17.496 31.395 1.00 0.00 N ATOM 0 H ASN A 76 -1.335 22.188 33.794 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.804 19.468 33.715 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.419 20.256 31.981 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.978 19.220 33.279 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.031 16.670 30.901 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.367 17.700 31.425 1.00 0.00 H new ATOM 1187 N VAL A 77 0.021 19.179 35.656 1.00 0.00 N ATOM 1188 CA VAL A 77 0.608 19.191 36.992 1.00 0.00 C ATOM 1189 C VAL A 77 1.869 18.336 37.019 1.00 0.00 C ATOM 1190 O VAL A 77 2.087 17.510 36.132 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.401 18.664 38.009 1.00 0.00 C ATOM 1192 CG1 VAL A 77 0.211 18.632 39.406 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.667 19.517 37.997 1.00 0.00 C ATOM 0 H VAL A 77 -0.078 18.249 35.250 1.00 0.00 H new ATOM 0 HA VAL A 77 0.872 20.216 37.252 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.670 17.645 37.730 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.524 18.253 40.117 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.085 17.980 39.406 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.510 19.639 39.695 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.375 19.127 38.728 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.414 20.547 38.250 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.116 19.487 37.004 1.00 0.00 H new ATOM 1203 N PHE A 78 2.699 18.538 38.037 1.00 0.00 N ATOM 1204 CA PHE A 78 3.940 17.781 38.170 1.00 0.00 C ATOM 1205 C PHE A 78 4.327 17.637 39.636 1.00 0.00 C ATOM 1206 O PHE A 78 4.352 18.615 40.383 1.00 0.00 O ATOM 1207 CB PHE A 78 5.059 18.478 37.402 1.00 0.00 C ATOM 1208 CG PHE A 78 4.680 18.786 35.975 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.781 17.803 35.004 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.231 20.051 35.634 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.432 18.084 33.694 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.882 20.332 34.323 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.983 19.348 33.353 1.00 0.00 C ATOM 0 H PHE A 78 2.536 19.217 38.780 1.00 0.00 H new ATOM 0 HA PHE A 78 3.785 16.786 37.754 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.322 19.405 37.912 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.948 17.847 37.410 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.132 16.817 35.269 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.153 20.818 36.390 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.510 17.317 32.938 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.531 21.318 34.057 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.711 19.567 32.331 1.00 0.00 H new ATOM 1223 N ASP A 79 4.631 16.408 40.039 1.00 0.00 N ATOM 1224 CA ASP A 79 5.020 16.124 41.415 1.00 0.00 C ATOM 1225 C ASP A 79 6.411 15.504 41.452 1.00 0.00 C ATOM 1226 O ASP A 79 6.926 15.051 40.430 1.00 0.00 O ATOM 1227 CB ASP A 79 4.009 15.177 42.055 1.00 0.00 C ATOM 1228 CG ASP A 79 4.018 13.832 41.340 1.00 0.00 C ATOM 1229 OD1 ASP A 79 3.884 13.817 40.098 1.00 0.00 O ATOM 1230 OD2 ASP A 79 4.159 12.795 42.022 1.00 0.00 O ATOM 0 H ASP A 79 4.615 15.590 39.430 1.00 0.00 H new ATOM 0 HA ASP A 79 5.038 17.058 41.976 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.248 15.038 43.109 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.012 15.614 42.009 1.00 0.00 H new ATOM 1235 N ASP A 80 7.017 15.489 42.634 1.00 0.00 N ATOM 1236 CA ASP A 80 8.352 14.925 42.801 1.00 0.00 C ATOM 1237 C ASP A 80 9.315 15.544 41.797 1.00 0.00 C ATOM 1238 O ASP A 80 10.126 14.846 41.188 1.00 0.00 O ATOM 1239 CB ASP A 80 8.307 13.412 42.614 1.00 0.00 C ATOM 1240 CG ASP A 80 9.402 12.747 43.437 1.00 0.00 C ATOM 1241 OD1 ASP A 80 10.455 13.385 43.653 1.00 0.00 O ATOM 1242 OD2 ASP A 80 9.206 11.591 43.866 1.00 0.00 O ATOM 0 H ASP A 80 6.606 15.861 43.490 1.00 0.00 H new ATOM 0 HA ASP A 80 8.703 15.149 43.808 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.332 13.030 42.916 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.433 13.165 41.560 1.00 0.00 H new ATOM 1247 N VAL A 81 9.222 16.859 41.629 1.00 0.00 N ATOM 1248 CA VAL A 81 10.085 17.578 40.697 1.00 0.00 C ATOM 1249 C VAL A 81 11.388 18.009 41.374 1.00 0.00 C ATOM 1250 O VAL A 81 12.280 18.545 40.718 1.00 0.00 O ATOM 1251 CB VAL A 81 9.350 18.801 40.149 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.260 19.624 39.240 1.00 0.00 C ATOM 1253 CG2 VAL A 81 8.096 18.374 39.393 1.00 0.00 C ATOM 0 H VAL A 81 8.556 17.450 42.127 1.00 0.00 H new ATOM 0 HA VAL A 81 10.336 16.908 39.875 1.00 0.00 H new ATOM 0 HB VAL A 81 9.056 19.425 40.993 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.713 20.488 38.863 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.129 19.962 39.805 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.589 19.010 38.402 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.584 19.257 39.009 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.375 17.726 38.562 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.431 17.833 40.067 1.00 0.00 H new ATOM 1263 N VAL A 82 11.500 17.778 42.682 1.00 0.00 N ATOM 1264 CA VAL A 82 12.701 18.151 43.421 1.00 0.00 C ATOM 1265 C VAL A 82 12.829 17.301 44.685 1.00 0.00 C ATOM 1266 O VAL A 82 12.103 17.511 45.656 1.00 0.00 O ATOM 1267 CB VAL A 82 12.642 19.635 43.787 1.00 0.00 C ATOM 1268 CG1 VAL A 82 13.829 20.026 44.667 1.00 0.00 C ATOM 1269 CG2 VAL A 82 12.611 20.493 42.525 1.00 0.00 C ATOM 0 H VAL A 82 10.776 17.336 43.248 1.00 0.00 H new ATOM 0 HA VAL A 82 13.574 17.973 42.793 1.00 0.00 H new ATOM 0 HB VAL A 82 11.726 19.810 44.352 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.765 21.086 44.914 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.811 19.438 45.584 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.758 19.834 44.131 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.569 21.546 42.802 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.510 20.308 41.937 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.732 20.238 41.933 1.00 0.00 H new ATOM 1279 N PRO A 83 13.758 16.327 44.691 1.00 0.00 N ATOM 1280 CA PRO A 83 13.973 15.448 45.850 1.00 0.00 C ATOM 1281 C PRO A 83 14.681 16.165 46.994 1.00 0.00 C ATOM 1282 O PRO A 83 14.963 17.361 46.910 1.00 0.00 O ATOM 1283 CB PRO A 83 14.837 14.320 45.304 1.00 0.00 C ATOM 1284 CG PRO A 83 15.546 14.900 44.124 1.00 0.00 C ATOM 1285 CD PRO A 83 14.670 16.003 43.580 1.00 0.00 C ATOM 0 HA PRO A 83 13.030 15.100 46.272 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.545 13.969 46.054 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.228 13.463 45.015 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.522 15.290 44.414 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.720 14.137 43.366 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.260 16.870 43.285 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.121 15.676 42.697 1.00 0.00 H new ATOM 1293 N GLU A 84 14.964 15.427 48.062 1.00 0.00 N ATOM 1294 CA GLU A 84 15.639 15.988 49.228 1.00 0.00 C ATOM 1295 C GLU A 84 17.130 16.139 48.955 1.00 0.00 C ATOM 1296 O GLU A 84 17.784 15.203 48.495 1.00 0.00 O ATOM 1297 CB GLU A 84 15.422 15.085 50.439 1.00 0.00 C ATOM 1298 CG GLU A 84 13.936 14.840 50.687 1.00 0.00 C ATOM 1299 CD GLU A 84 13.747 13.680 51.656 1.00 0.00 C ATOM 1300 OE1 GLU A 84 14.563 13.546 52.592 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.783 12.906 51.477 1.00 0.00 O ATOM 0 H GLU A 84 14.736 14.436 48.145 1.00 0.00 H new ATOM 0 HA GLU A 84 15.219 16.972 49.435 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.929 14.133 50.281 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.870 15.542 51.321 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.475 15.740 51.092 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.434 14.621 49.745 1.00 0.00 H new ATOM 1308 N LYS A 85 17.663 17.322 49.242 1.00 0.00 N ATOM 1309 CA LYS A 85 19.079 17.597 49.027 1.00 0.00 C ATOM 1310 C LYS A 85 19.414 17.509 47.544 1.00 0.00 C ATOM 1311 O LYS A 85 20.424 16.919 47.159 1.00 0.00 O ATOM 1312 CB LYS A 85 19.928 16.599 49.810 1.00 0.00 C ATOM 1313 CG LYS A 85 19.569 16.613 51.294 1.00 0.00 C ATOM 1314 CD LYS A 85 20.611 17.375 52.107 1.00 0.00 C ATOM 1315 CE LYS A 85 20.464 18.883 51.920 1.00 0.00 C ATOM 1316 NZ LYS A 85 20.546 19.601 53.223 1.00 0.00 N ATOM 0 H LYS A 85 17.135 18.106 49.624 1.00 0.00 H new ATOM 0 HA LYS A 85 19.297 18.606 49.378 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.780 15.597 49.407 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.984 16.840 49.686 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.590 17.073 51.430 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.494 15.590 51.662 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.506 17.125 53.163 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.611 17.064 51.804 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.245 19.247 51.252 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.509 19.101 51.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.443 20.623 53.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.785 19.270 53.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 21.467 19.411 53.666 1.00 0.00 H new ATOM 1330 N TYR A 86 18.559 18.097 46.715 1.00 0.00 N ATOM 1331 CA TYR A 86 18.758 18.086 45.268 1.00 0.00 C ATOM 1332 C TYR A 86 20.169 18.541 44.918 1.00 0.00 C ATOM 1333 O TYR A 86 20.707 19.461 45.534 1.00 0.00 O ATOM 1334 CB TYR A 86 17.737 19.000 44.596 1.00 0.00 C ATOM 1335 CG TYR A 86 17.851 20.435 45.043 1.00 0.00 C ATOM 1336 CD1 TYR A 86 18.752 21.285 44.424 1.00 0.00 C ATOM 1337 CD2 TYR A 86 17.055 20.905 46.073 1.00 0.00 C ATOM 1338 CE1 TYR A 86 18.856 22.604 44.836 1.00 0.00 C ATOM 1339 CE2 TYR A 86 17.160 22.223 46.484 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.059 23.066 45.864 1.00 0.00 C ATOM 1341 OH TYR A 86 18.162 24.376 46.272 1.00 0.00 O ATOM 0 H TYR A 86 17.719 18.589 47.020 1.00 0.00 H new ATOM 0 HA TYR A 86 18.622 17.067 44.907 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.868 18.950 43.515 1.00 0.00 H new ATOM 0 HB3 TYR A 86 16.733 18.636 44.813 1.00 0.00 H new ATOM 0 HD1 TYR A 86 19.374 20.920 43.620 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.352 20.243 46.556 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.558 23.268 44.354 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.540 22.590 47.288 1.00 0.00 H new ATOM 0 HH TYR A 86 17.532 24.541 47.004 1.00 0.00 H new ATOM 1351 N THR A 87 20.762 17.892 43.921 1.00 0.00 N ATOM 1352 CA THR A 87 22.111 18.228 43.481 1.00 0.00 C ATOM 1353 C THR A 87 22.062 18.956 42.143 1.00 0.00 C ATOM 1354 O THR A 87 21.588 18.412 41.147 1.00 0.00 O ATOM 1355 CB THR A 87 22.948 16.959 43.352 1.00 0.00 C ATOM 1356 OG1 THR A 87 22.656 16.074 44.422 1.00 0.00 O ATOM 1357 CG2 THR A 87 24.437 17.291 43.341 1.00 0.00 C ATOM 0 H THR A 87 20.328 17.129 43.402 1.00 0.00 H new ATOM 0 HA THR A 87 22.569 18.883 44.222 1.00 0.00 H new ATOM 0 HB THR A 87 22.696 16.476 42.408 1.00 0.00 H new ATOM 0 HG1 THR A 87 23.196 15.261 44.331 1.00 0.00 H new ATOM 0 HG21 THR A 87 25.014 16.371 43.248 1.00 0.00 H new ATOM 0 HG22 THR A 87 24.658 17.945 42.497 1.00 0.00 H new ATOM 0 HG23 THR A 87 24.704 17.795 44.270 1.00 0.00 H new ATOM 1365 N ILE A 88 22.552 20.192 42.128 1.00 0.00 N ATOM 1366 CA ILE A 88 22.563 20.998 40.912 1.00 0.00 C ATOM 1367 C ILE A 88 23.230 20.233 39.775 1.00 0.00 C ATOM 1368 O ILE A 88 24.284 19.624 39.958 1.00 0.00 O ATOM 1369 CB ILE A 88 23.299 22.310 41.162 1.00 0.00 C ATOM 1370 CG1 ILE A 88 22.654 23.072 42.318 1.00 0.00 C ATOM 1371 CG2 ILE A 88 23.312 23.169 39.903 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.172 23.320 42.056 1.00 0.00 C ATOM 0 H ILE A 88 22.947 20.657 42.945 1.00 0.00 H new ATOM 0 HA ILE A 88 21.534 21.217 40.628 1.00 0.00 H new ATOM 0 HB ILE A 88 24.330 22.078 41.430 1.00 0.00 H new ATOM 0 HG12 ILE A 88 22.773 22.506 43.242 1.00 0.00 H new ATOM 0 HG13 ILE A 88 23.165 24.024 42.460 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.842 24.100 40.103 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.816 22.630 39.100 1.00 0.00 H new ATOM 0 HG23 ILE A 88 22.288 23.392 39.604 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.740 23.864 42.896 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.057 23.908 41.145 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.658 22.366 41.939 1.00 0.00 H new ATOM 1384 N GLY A 89 22.607 20.268 38.600 1.00 0.00 N ATOM 1385 CA GLY A 89 23.137 19.576 37.430 1.00 0.00 C ATOM 1386 C GLY A 89 22.378 18.279 37.183 1.00 0.00 C ATOM 1387 O GLY A 89 22.926 17.322 36.635 1.00 0.00 O ATOM 0 H GLY A 89 21.734 20.769 38.433 1.00 0.00 H new ATOM 0 HA2 GLY A 89 23.060 20.221 36.554 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.196 19.362 37.576 1.00 0.00 H new ATOM 1391 N ALA A 90 21.113 18.253 37.592 1.00 0.00 N ATOM 1392 CA ALA A 90 20.276 17.070 37.417 1.00 0.00 C ATOM 1393 C ALA A 90 18.846 17.473 37.080 1.00 0.00 C ATOM 1394 O ALA A 90 18.288 18.388 37.687 1.00 0.00 O ATOM 1395 CB ALA A 90 20.293 16.230 38.690 1.00 0.00 C ATOM 0 H ALA A 90 20.645 19.037 38.047 1.00 0.00 H new ATOM 0 HA ALA A 90 20.675 16.480 36.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.666 15.349 38.553 1.00 0.00 H new ATOM 0 HB2 ALA A 90 21.315 15.919 38.907 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.910 16.822 39.521 1.00 0.00 H new ATOM 1401 N THR A 91 18.256 16.783 36.109 1.00 0.00 N ATOM 1402 CA THR A 91 16.886 17.064 35.687 1.00 0.00 C ATOM 1403 C THR A 91 15.899 16.264 36.528 1.00 0.00 C ATOM 1404 O THR A 91 15.863 15.036 36.458 1.00 0.00 O ATOM 1405 CB THR A 91 16.715 16.715 34.211 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.647 17.444 33.428 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.293 17.013 33.746 1.00 0.00 C ATOM 0 H THR A 91 18.706 16.023 35.598 1.00 0.00 H new ATOM 0 HA THR A 91 16.686 18.126 35.829 1.00 0.00 H new ATOM 0 HB THR A 91 16.901 15.648 34.085 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.531 17.213 32.483 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.194 16.757 32.691 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.588 16.422 34.331 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.080 18.073 33.883 1.00 0.00 H new ATOM 1415 N TYR A 92 15.103 16.968 37.327 1.00 0.00 N ATOM 1416 CA TYR A 92 14.118 16.328 38.188 1.00 0.00 C ATOM 1417 C TYR A 92 12.712 16.539 37.640 1.00 0.00 C ATOM 1418 O TYR A 92 12.440 17.532 36.965 1.00 0.00 O ATOM 1419 CB TYR A 92 14.216 16.907 39.592 1.00 0.00 C ATOM 1420 CG TYR A 92 15.569 16.696 40.222 1.00 0.00 C ATOM 1421 CD1 TYR A 92 16.065 15.414 40.385 1.00 0.00 C ATOM 1422 CD2 TYR A 92 16.317 17.783 40.640 1.00 0.00 C ATOM 1423 CE1 TYR A 92 17.308 15.220 40.964 1.00 0.00 C ATOM 1424 CE2 TYR A 92 17.560 17.588 41.219 1.00 0.00 C ATOM 1425 CZ TYR A 92 18.049 16.308 41.379 1.00 0.00 C ATOM 1426 OH TYR A 92 19.284 16.115 41.954 1.00 0.00 O ATOM 0 H TYR A 92 15.122 17.986 37.395 1.00 0.00 H new ATOM 0 HA TYR A 92 14.321 15.258 38.220 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.001 17.975 39.555 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.453 16.450 40.222 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.482 14.565 40.060 1.00 0.00 H new ATOM 0 HD2 TYR A 92 15.931 18.784 40.515 1.00 0.00 H new ATOM 0 HE1 TYR A 92 17.696 14.220 41.090 1.00 0.00 H new ATOM 0 HE2 TYR A 92 18.145 18.436 41.544 1.00 0.00 H new ATOM 0 HH TYR A 92 19.691 15.302 41.589 1.00 0.00 H new ATOM 1436 N ALA A 93 11.818 15.599 37.940 1.00 0.00 N ATOM 1437 CA ALA A 93 10.431 15.677 37.484 1.00 0.00 C ATOM 1438 C ALA A 93 9.706 14.364 37.761 1.00 0.00 C ATOM 1439 O ALA A 93 10.302 13.410 38.260 1.00 0.00 O ATOM 1440 CB ALA A 93 10.381 15.985 35.990 1.00 0.00 C ATOM 0 H ALA A 93 12.030 14.772 38.498 1.00 0.00 H new ATOM 0 HA ALA A 93 9.935 16.479 38.031 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.342 16.040 35.664 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.872 16.939 35.799 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.893 15.196 35.439 1.00 0.00 H new ATOM 1446 N PRO A 94 8.402 14.300 37.437 1.00 0.00 N ATOM 1447 CA PRO A 94 7.593 13.094 37.651 1.00 0.00 C ATOM 1448 C PRO A 94 7.850 12.037 36.583 1.00 0.00 C ATOM 1449 O PRO A 94 7.918 12.401 35.390 1.00 0.00 O ATOM 1450 CB PRO A 94 6.159 13.596 37.580 1.00 0.00 C ATOM 1451 CG PRO A 94 6.207 14.841 36.752 1.00 0.00 C ATOM 1452 CD PRO A 94 7.613 15.389 36.836 1.00 0.00 C ATOM 0 HA PRO A 94 7.829 12.608 38.598 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.505 12.850 37.128 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.767 13.803 38.576 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.941 14.624 35.717 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.488 15.573 37.119 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.994 15.657 35.850 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.651 16.290 37.448 1.00 0.00 H new TER 1460 PRO A 94