USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 640 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 1 MET N :NH3+ 172:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=-0.017) USER MOD Set 2.1: A 1 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.0588 K(o=0.059,f=-0.76) USER MOD Single : A 6 HIS : no HE2:sc= -0.576 K(o=-0.58,f=-1.7) USER MOD Single : A 7 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-1.6!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -25:sc= 0.369 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=-0.32) USER MOD Single : A 22 GLN : amide:sc= -0.793 K(o=-0.79,f=-4.9!) USER MOD Single : A 26 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.3) USER MOD Single : A 29 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.0205 (180deg=-0.197) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.533 F(o=-1.4,f=-0.53) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 63:sc= -3.4! USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -0.794 (180deg=-2.6!) USER MOD Single : A 52 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.5!) USER MOD Single : A 53 GLN : amide:sc= -0.0295 X(o=-0.03,f=-0.032) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -128:sc= -2.32 (180deg=-5.29!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= -0.014 (180deg=-0.15) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.407 (180deg=-0.929) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 117:sc= -0.336 USER MOD Single : A 68 SER OG : rot 180:sc= -0.254 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.72 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.155 -1.938 -1.726 1.00 0.00 N ATOM 2 CA MET A 1 -20.767 -2.153 -2.213 1.00 0.00 C ATOM 3 C MET A 1 -20.354 -3.632 -2.071 1.00 0.00 C ATOM 4 O MET A 1 -20.218 -4.343 -3.077 1.00 0.00 O ATOM 5 CB MET A 1 -19.792 -1.213 -1.442 1.00 0.00 C ATOM 6 CG MET A 1 -18.321 -1.254 -1.905 1.00 0.00 C ATOM 7 SD MET A 1 -17.349 0.086 -1.180 1.00 0.00 S ATOM 8 CE MET A 1 -15.770 -0.089 -2.014 1.00 0.00 C ATOM 0 H1 MET A 1 -22.362 -0.919 -1.705 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.824 -2.414 -2.364 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.251 -2.331 -0.768 1.00 0.00 H new ATOM 0 HA MET A 1 -20.720 -1.908 -3.274 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.155 -0.189 -1.533 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.828 -1.471 -0.384 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.880 -2.212 -1.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.280 -1.185 -2.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.977 0.302 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.583 -1.143 -2.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.790 0.467 -2.951 1.00 0.00 H new ATOM 20 N GLY A 2 -20.226 -4.095 -0.811 1.00 0.00 N ATOM 21 CA GLY A 2 -19.666 -5.416 -0.490 1.00 0.00 C ATOM 22 C GLY A 2 -20.501 -6.624 -0.918 1.00 0.00 C ATOM 23 O GLY A 2 -20.043 -7.762 -0.761 1.00 0.00 O ATOM 0 H GLY A 2 -20.509 -3.561 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.684 -5.495 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.512 -5.470 0.588 1.00 0.00 H new ATOM 27 N HIS A 3 -21.715 -6.394 -1.450 1.00 0.00 N ATOM 28 CA HIS A 3 -22.546 -7.475 -2.028 1.00 0.00 C ATOM 29 C HIS A 3 -21.848 -8.098 -3.248 1.00 0.00 C ATOM 30 O HIS A 3 -21.959 -9.308 -3.485 1.00 0.00 O ATOM 31 CB HIS A 3 -23.965 -6.972 -2.406 1.00 0.00 C ATOM 32 CG HIS A 3 -24.033 -6.047 -3.606 1.00 0.00 C ATOM 33 ND1 HIS A 3 -24.712 -6.358 -4.771 1.00 0.00 N ATOM 34 CD2 HIS A 3 -23.499 -4.821 -3.818 1.00 0.00 C ATOM 35 CE1 HIS A 3 -24.600 -5.362 -5.626 1.00 0.00 C ATOM 36 NE2 HIS A 3 -23.864 -4.422 -5.079 1.00 0.00 N ATOM 0 H HIS A 3 -22.146 -5.470 -1.493 1.00 0.00 H new ATOM 0 HA HIS A 3 -22.665 -8.242 -1.263 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -24.598 -7.838 -2.600 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.389 -6.454 -1.546 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.895 -4.259 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -25.040 -5.325 -6.612 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -23.606 -3.539 -5.520 1.00 0.00 H new ATOM 45 N HIS A 4 -21.100 -7.257 -3.992 1.00 0.00 N ATOM 46 CA HIS A 4 -20.328 -7.698 -5.161 1.00 0.00 C ATOM 47 C HIS A 4 -18.991 -8.323 -4.705 1.00 0.00 C ATOM 48 O HIS A 4 -17.938 -7.677 -4.734 1.00 0.00 O ATOM 49 CB HIS A 4 -20.115 -6.520 -6.153 1.00 0.00 C ATOM 50 CG HIS A 4 -19.391 -6.904 -7.430 1.00 0.00 C ATOM 51 ND1 HIS A 4 -19.980 -7.647 -8.431 1.00 0.00 N ATOM 52 CD2 HIS A 4 -18.115 -6.674 -7.847 1.00 0.00 C ATOM 53 CE1 HIS A 4 -19.108 -7.860 -9.396 1.00 0.00 C ATOM 54 NE2 HIS A 4 -17.975 -7.281 -9.071 1.00 0.00 N ATOM 0 H HIS A 4 -21.018 -6.259 -3.797 1.00 0.00 H new ATOM 0 HA HIS A 4 -20.889 -8.466 -5.694 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -21.086 -6.098 -6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -19.550 -5.735 -5.651 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -17.356 -6.119 -7.315 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -19.294 -8.417 -10.302 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -17.127 -7.282 -9.637 1.00 0.00 H new ATOM 63 N HIS A 5 -19.083 -9.567 -4.211 1.00 0.00 N ATOM 64 CA HIS A 5 -17.935 -10.390 -3.779 1.00 0.00 C ATOM 65 C HIS A 5 -18.276 -11.866 -4.008 1.00 0.00 C ATOM 66 O HIS A 5 -19.456 -12.231 -4.045 1.00 0.00 O ATOM 67 CB HIS A 5 -17.600 -10.168 -2.279 1.00 0.00 C ATOM 68 CG HIS A 5 -16.881 -8.884 -1.954 1.00 0.00 C ATOM 69 ND1 HIS A 5 -17.191 -8.080 -0.876 1.00 0.00 N ATOM 70 CD2 HIS A 5 -15.815 -8.300 -2.550 1.00 0.00 C ATOM 71 CE1 HIS A 5 -16.344 -7.072 -0.826 1.00 0.00 C ATOM 72 NE2 HIS A 5 -15.507 -7.182 -1.832 1.00 0.00 N ATOM 0 H HIS A 5 -19.978 -10.043 -4.097 1.00 0.00 H new ATOM 0 HA HIS A 5 -17.062 -10.097 -4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.529 -10.197 -1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -16.989 -11.002 -1.935 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -17.956 -8.241 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -15.302 -8.654 -3.432 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.339 -6.288 -0.083 1.00 0.00 H new ATOM 81 N HIS A 6 -17.245 -12.716 -4.151 1.00 0.00 N ATOM 82 CA HIS A 6 -17.448 -14.164 -4.321 1.00 0.00 C ATOM 83 C HIS A 6 -17.736 -14.822 -2.947 1.00 0.00 C ATOM 84 O HIS A 6 -16.831 -15.237 -2.231 1.00 0.00 O ATOM 85 CB HIS A 6 -16.257 -14.830 -5.080 1.00 0.00 C ATOM 86 CG HIS A 6 -14.885 -14.691 -4.459 1.00 0.00 C ATOM 87 ND1 HIS A 6 -14.426 -15.515 -3.454 1.00 0.00 N ATOM 88 CD2 HIS A 6 -13.856 -13.853 -4.734 1.00 0.00 C ATOM 89 CE1 HIS A 6 -13.192 -15.195 -3.142 1.00 0.00 C ATOM 90 NE2 HIS A 6 -12.817 -14.191 -3.903 1.00 0.00 N ATOM 0 H HIS A 6 -16.267 -12.427 -4.152 1.00 0.00 H new ATOM 0 HA HIS A 6 -18.322 -14.326 -4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -16.475 -15.893 -5.187 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.218 -14.410 -6.085 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -14.965 -16.263 -3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.854 -13.064 -5.472 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.587 -15.675 -2.387 1.00 0.00 H new ATOM 99 N HIS A 7 -19.017 -14.837 -2.559 1.00 0.00 N ATOM 100 CA HIS A 7 -19.465 -15.436 -1.280 1.00 0.00 C ATOM 101 C HIS A 7 -19.593 -16.953 -1.455 1.00 0.00 C ATOM 102 O HIS A 7 -19.221 -17.735 -0.574 1.00 0.00 O ATOM 103 CB HIS A 7 -20.823 -14.834 -0.827 1.00 0.00 C ATOM 104 CG HIS A 7 -20.884 -13.324 -0.867 1.00 0.00 C ATOM 105 ND1 HIS A 7 -20.187 -12.511 0.000 1.00 0.00 N ATOM 106 CD2 HIS A 7 -21.543 -12.483 -1.706 1.00 0.00 C ATOM 107 CE1 HIS A 7 -20.419 -11.246 -0.299 1.00 0.00 C ATOM 108 NE2 HIS A 7 -21.232 -11.203 -1.332 1.00 0.00 N ATOM 0 H HIS A 7 -19.774 -14.439 -3.114 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.728 -15.213 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -21.613 -15.234 -1.462 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -21.032 -15.167 0.190 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -22.193 -12.771 -2.519 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -20.010 -10.390 0.218 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -21.575 -10.354 -1.781 1.00 0.00 H new ATOM 117 N HIS A 8 -20.143 -17.348 -2.612 1.00 0.00 N ATOM 118 CA HIS A 8 -20.313 -18.755 -3.006 1.00 0.00 C ATOM 119 C HIS A 8 -19.593 -18.975 -4.341 1.00 0.00 C ATOM 120 O HIS A 8 -20.057 -18.482 -5.376 1.00 0.00 O ATOM 121 CB HIS A 8 -21.820 -19.106 -3.140 1.00 0.00 C ATOM 122 CG HIS A 8 -22.631 -18.879 -1.885 1.00 0.00 C ATOM 123 ND1 HIS A 8 -23.729 -18.044 -1.832 1.00 0.00 N ATOM 124 CD2 HIS A 8 -22.505 -19.397 -0.639 1.00 0.00 C ATOM 125 CE1 HIS A 8 -24.240 -18.062 -0.617 1.00 0.00 C ATOM 126 NE2 HIS A 8 -23.517 -18.875 0.124 1.00 0.00 N ATOM 0 H HIS A 8 -20.487 -16.690 -3.311 1.00 0.00 H new ATOM 0 HA HIS A 8 -19.887 -19.405 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -22.248 -18.511 -3.947 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -21.912 -20.152 -3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -21.748 -20.092 -0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -25.104 -17.505 -0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -23.683 -19.083 1.109 1.00 0.00 H new ATOM 135 N SER A 9 -18.452 -19.690 -4.299 1.00 0.00 N ATOM 136 CA SER A 9 -17.607 -19.951 -5.486 1.00 0.00 C ATOM 137 C SER A 9 -16.434 -20.913 -5.157 1.00 0.00 C ATOM 138 O SER A 9 -15.732 -21.360 -6.076 1.00 0.00 O ATOM 139 CB SER A 9 -17.065 -18.617 -6.066 1.00 0.00 C ATOM 140 OG SER A 9 -16.340 -18.822 -7.266 1.00 0.00 O ATOM 0 H SER A 9 -18.088 -20.104 -3.441 1.00 0.00 H new ATOM 0 HA SER A 9 -18.232 -20.438 -6.235 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.897 -17.938 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.421 -18.135 -5.330 1.00 0.00 H new ATOM 0 HG SER A 9 -15.986 -19.736 -7.282 1.00 0.00 H new ATOM 146 N HIS A 10 -16.237 -21.220 -3.846 1.00 0.00 N ATOM 147 CA HIS A 10 -15.170 -22.115 -3.337 1.00 0.00 C ATOM 148 C HIS A 10 -13.774 -21.519 -3.602 1.00 0.00 C ATOM 149 O HIS A 10 -13.087 -21.897 -4.564 1.00 0.00 O ATOM 150 CB HIS A 10 -15.314 -23.561 -3.901 1.00 0.00 C ATOM 151 CG HIS A 10 -14.307 -24.567 -3.382 1.00 0.00 C ATOM 152 ND1 HIS A 10 -13.140 -24.880 -4.052 1.00 0.00 N ATOM 153 CD2 HIS A 10 -14.309 -25.347 -2.270 1.00 0.00 C ATOM 154 CE1 HIS A 10 -12.480 -25.802 -3.384 1.00 0.00 C ATOM 155 NE2 HIS A 10 -13.159 -26.102 -2.301 1.00 0.00 N ATOM 0 H HIS A 10 -16.827 -20.844 -3.104 1.00 0.00 H new ATOM 0 HA HIS A 10 -15.286 -22.192 -2.256 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -16.316 -23.924 -3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -15.232 -23.518 -4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.071 -25.370 -1.505 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.537 -26.239 -3.678 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.879 -26.784 -1.596 1.00 0.00 H new ATOM 164 N MET A 11 -13.390 -20.543 -2.755 1.00 0.00 N ATOM 165 CA MET A 11 -12.081 -19.870 -2.829 1.00 0.00 C ATOM 166 C MET A 11 -10.936 -20.888 -2.589 1.00 0.00 C ATOM 167 O MET A 11 -10.842 -21.493 -1.517 1.00 0.00 O ATOM 168 CB MET A 11 -12.019 -18.672 -1.828 1.00 0.00 C ATOM 169 CG MET A 11 -12.192 -19.029 -0.342 1.00 0.00 C ATOM 170 SD MET A 11 -12.141 -17.588 0.747 1.00 0.00 S ATOM 171 CE MET A 11 -12.192 -18.365 2.363 1.00 0.00 C ATOM 0 H MET A 11 -13.982 -20.200 -1.999 1.00 0.00 H new ATOM 0 HA MET A 11 -11.950 -19.460 -3.830 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.060 -18.169 -1.952 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.792 -17.954 -2.102 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.143 -19.545 -0.207 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.407 -19.726 -0.049 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.167 -17.598 3.137 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.109 -18.947 2.458 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.331 -19.024 2.477 1.00 0.00 H new ATOM 181 N ALA A 12 -10.114 -21.106 -3.621 1.00 0.00 N ATOM 182 CA ALA A 12 -9.038 -22.112 -3.597 1.00 0.00 C ATOM 183 C ALA A 12 -7.958 -21.728 -4.617 1.00 0.00 C ATOM 184 O ALA A 12 -7.307 -22.579 -5.224 1.00 0.00 O ATOM 185 CB ALA A 12 -9.636 -23.499 -3.883 1.00 0.00 C ATOM 0 H ALA A 12 -10.173 -20.591 -4.499 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.567 -22.147 -2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.844 -24.247 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.378 -23.739 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.111 -23.495 -4.864 1.00 0.00 H new ATOM 191 N ASP A 13 -7.744 -20.415 -4.735 1.00 0.00 N ATOM 192 CA ASP A 13 -6.875 -19.803 -5.756 1.00 0.00 C ATOM 193 C ASP A 13 -6.294 -18.476 -5.207 1.00 0.00 C ATOM 194 O ASP A 13 -6.688 -18.055 -4.113 1.00 0.00 O ATOM 195 CB ASP A 13 -7.695 -19.562 -7.060 1.00 0.00 C ATOM 196 CG ASP A 13 -8.900 -18.620 -6.869 1.00 0.00 C ATOM 197 OD1 ASP A 13 -9.973 -19.098 -6.427 1.00 0.00 O ATOM 198 OD2 ASP A 13 -8.794 -17.411 -7.185 1.00 0.00 O ATOM 0 H ASP A 13 -8.176 -19.731 -4.114 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.046 -20.470 -5.992 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.036 -19.145 -7.821 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.051 -20.521 -7.437 1.00 0.00 H new ATOM 203 N PRO A 14 -5.310 -17.812 -5.915 1.00 0.00 N ATOM 204 CA PRO A 14 -4.868 -16.432 -5.567 1.00 0.00 C ATOM 205 C PRO A 14 -5.996 -15.369 -5.775 1.00 0.00 C ATOM 206 O PRO A 14 -7.119 -15.559 -5.304 1.00 0.00 O ATOM 207 CB PRO A 14 -3.634 -16.205 -6.492 1.00 0.00 C ATOM 208 CG PRO A 14 -3.211 -17.567 -6.942 1.00 0.00 C ATOM 209 CD PRO A 14 -4.485 -18.371 -7.025 1.00 0.00 C ATOM 0 HA PRO A 14 -4.619 -16.321 -4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.893 -15.574 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.829 -15.702 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -2.709 -17.524 -7.909 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.509 -18.014 -6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.975 -18.251 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.299 -19.437 -6.892 1.00 0.00 H new ATOM 217 N GLY A 15 -5.707 -14.251 -6.470 1.00 0.00 N ATOM 218 CA GLY A 15 -6.673 -13.159 -6.624 1.00 0.00 C ATOM 219 C GLY A 15 -6.577 -12.074 -5.548 1.00 0.00 C ATOM 220 O GLY A 15 -6.352 -10.911 -5.877 1.00 0.00 O ATOM 0 H GLY A 15 -4.812 -14.086 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.529 -12.698 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.680 -13.576 -6.613 1.00 0.00 H new ATOM 224 N ARG A 16 -6.735 -12.468 -4.262 1.00 0.00 N ATOM 225 CA ARG A 16 -6.875 -11.523 -3.126 1.00 0.00 C ATOM 226 C ARG A 16 -5.637 -10.629 -2.927 1.00 0.00 C ATOM 227 O ARG A 16 -5.787 -9.428 -2.702 1.00 0.00 O ATOM 228 CB ARG A 16 -7.168 -12.321 -1.825 1.00 0.00 C ATOM 229 CG ARG A 16 -7.257 -11.483 -0.529 1.00 0.00 C ATOM 230 CD ARG A 16 -8.440 -10.512 -0.524 1.00 0.00 C ATOM 231 NE ARG A 16 -9.730 -11.217 -0.581 1.00 0.00 N ATOM 232 CZ ARG A 16 -10.930 -10.632 -0.664 1.00 0.00 C ATOM 233 NH1 ARG A 16 -11.049 -9.308 -0.722 1.00 0.00 N ATOM 234 NH2 ARG A 16 -12.020 -11.380 -0.710 1.00 0.00 N ATOM 0 H ARG A 16 -6.769 -13.448 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.705 -10.857 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.108 -12.857 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.388 -13.071 -1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.341 -12.154 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.332 -10.920 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.402 -9.898 0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.358 -9.836 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.707 -12.236 -0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.216 -8.720 -0.703 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.973 -8.881 -0.785 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.942 -12.397 -0.682 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.938 -10.940 -0.773 1.00 0.00 H new ATOM 248 N GLU A 17 -4.431 -11.221 -2.992 1.00 0.00 N ATOM 249 CA GLU A 17 -3.175 -10.477 -2.776 1.00 0.00 C ATOM 250 C GLU A 17 -2.967 -9.437 -3.888 1.00 0.00 C ATOM 251 O GLU A 17 -2.613 -8.295 -3.604 1.00 0.00 O ATOM 252 CB GLU A 17 -1.951 -11.424 -2.682 1.00 0.00 C ATOM 253 CG GLU A 17 -0.616 -10.688 -2.435 1.00 0.00 C ATOM 254 CD GLU A 17 0.590 -11.630 -2.367 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.075 -12.053 -3.432 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.049 -11.964 -1.255 1.00 0.00 O ATOM 0 H GLU A 17 -4.299 -12.212 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.262 -9.960 -1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.117 -12.139 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.874 -11.997 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.457 -9.961 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.685 -10.128 -1.502 1.00 0.00 H new ATOM 263 N GLY A 18 -3.212 -9.846 -5.142 1.00 0.00 N ATOM 264 CA GLY A 18 -3.162 -8.935 -6.288 1.00 0.00 C ATOM 265 C GLY A 18 -4.245 -7.868 -6.258 1.00 0.00 C ATOM 266 O GLY A 18 -4.020 -6.751 -6.715 1.00 0.00 O ATOM 0 H GLY A 18 -3.448 -10.808 -5.386 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.186 -8.451 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.257 -9.513 -7.207 1.00 0.00 H new ATOM 270 N HIS A 19 -5.408 -8.221 -5.694 1.00 0.00 N ATOM 271 CA HIS A 19 -6.534 -7.284 -5.507 1.00 0.00 C ATOM 272 C HIS A 19 -6.127 -6.190 -4.509 1.00 0.00 C ATOM 273 O HIS A 19 -6.364 -5.001 -4.727 1.00 0.00 O ATOM 274 CB HIS A 19 -7.780 -8.055 -4.989 1.00 0.00 C ATOM 275 CG HIS A 19 -9.023 -7.222 -4.777 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.209 -6.423 -3.671 1.00 0.00 N ATOM 277 CD2 HIS A 19 -10.142 -7.073 -5.527 1.00 0.00 C ATOM 278 CE1 HIS A 19 -10.383 -5.824 -3.745 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.964 -6.201 -4.859 1.00 0.00 N ATOM 0 H HIS A 19 -5.599 -9.163 -5.353 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.785 -6.819 -6.460 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.014 -8.850 -5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.521 -8.535 -4.045 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -10.348 -7.551 -6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.794 -5.142 -3.015 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -11.883 -5.894 -5.178 1.00 0.00 H new ATOM 288 N LEU A 20 -5.506 -6.652 -3.423 1.00 0.00 N ATOM 289 CA LEU A 20 -5.004 -5.826 -2.328 1.00 0.00 C ATOM 290 C LEU A 20 -3.825 -4.943 -2.784 1.00 0.00 C ATOM 291 O LEU A 20 -3.708 -3.796 -2.360 1.00 0.00 O ATOM 292 CB LEU A 20 -4.615 -6.774 -1.149 1.00 0.00 C ATOM 293 CG LEU A 20 -4.278 -6.130 0.241 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.793 -5.751 0.387 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.181 -4.913 0.518 1.00 0.00 C ATOM 0 H LEU A 20 -5.333 -7.647 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.777 -5.134 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.437 -7.475 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.750 -7.358 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.478 -6.896 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.625 -5.311 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.177 -6.644 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.524 -5.030 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.927 -4.485 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.031 -4.164 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.225 -5.228 0.522 1.00 0.00 H new ATOM 307 N GLU A 21 -2.976 -5.501 -3.645 1.00 0.00 N ATOM 308 CA GLU A 21 -1.831 -4.799 -4.243 1.00 0.00 C ATOM 309 C GLU A 21 -2.310 -3.653 -5.154 1.00 0.00 C ATOM 310 O GLU A 21 -1.779 -2.537 -5.101 1.00 0.00 O ATOM 311 CB GLU A 21 -0.956 -5.825 -5.015 1.00 0.00 C ATOM 312 CG GLU A 21 0.232 -5.226 -5.782 1.00 0.00 C ATOM 313 CD GLU A 21 1.171 -6.288 -6.372 1.00 0.00 C ATOM 314 OE1 GLU A 21 0.727 -7.071 -7.228 1.00 0.00 O ATOM 315 OE2 GLU A 21 2.358 -6.339 -5.987 1.00 0.00 O ATOM 0 H GLU A 21 -3.062 -6.469 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.225 -4.346 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.576 -6.561 -4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.591 -6.361 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.145 -4.596 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.800 -4.581 -5.112 1.00 0.00 H new ATOM 322 N GLN A 22 -3.350 -3.939 -5.960 1.00 0.00 N ATOM 323 CA GLN A 22 -3.987 -2.921 -6.819 1.00 0.00 C ATOM 324 C GLN A 22 -4.700 -1.858 -5.967 1.00 0.00 C ATOM 325 O GLN A 22 -4.721 -0.678 -6.342 1.00 0.00 O ATOM 326 CB GLN A 22 -4.989 -3.549 -7.813 1.00 0.00 C ATOM 327 CG GLN A 22 -4.384 -4.481 -8.889 1.00 0.00 C ATOM 328 CD GLN A 22 -3.409 -3.815 -9.885 1.00 0.00 C ATOM 329 OE1 GLN A 22 -2.699 -2.860 -9.570 1.00 0.00 O ATOM 330 NE2 GLN A 22 -3.362 -4.317 -11.108 1.00 0.00 N ATOM 0 H GLN A 22 -3.767 -4.867 -6.035 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.191 -2.448 -7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.728 -4.114 -7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.523 -2.744 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.860 -5.294 -8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.201 -4.930 -9.454 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.955 -5.109 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.733 -3.913 -11.801 1.00 0.00 H new ATOM 339 N ARG A 23 -5.271 -2.279 -4.816 1.00 0.00 N ATOM 340 CA ARG A 23 -5.881 -1.363 -3.834 1.00 0.00 C ATOM 341 C ARG A 23 -4.844 -0.348 -3.315 1.00 0.00 C ATOM 342 O ARG A 23 -5.075 0.851 -3.408 1.00 0.00 O ATOM 343 CB ARG A 23 -6.493 -2.166 -2.636 1.00 0.00 C ATOM 344 CG ARG A 23 -7.942 -2.683 -2.811 1.00 0.00 C ATOM 345 CD ARG A 23 -9.007 -1.578 -2.651 1.00 0.00 C ATOM 346 NE ARG A 23 -8.941 -0.558 -3.711 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.147 0.761 -3.542 1.00 0.00 C ATOM 348 NH1 ARG A 23 -9.438 1.274 -2.351 1.00 0.00 N ATOM 349 NH2 ARG A 23 -9.087 1.561 -4.587 1.00 0.00 N ATOM 0 H ARG A 23 -5.320 -3.261 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.681 -0.817 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.849 -3.022 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.463 -1.531 -1.751 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.043 -3.135 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.131 -3.469 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.998 -2.033 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.880 -1.096 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.720 -0.879 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.510 0.664 -1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.589 2.278 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.886 1.179 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.241 2.563 -4.472 1.00 0.00 H new ATOM 363 N ILE A 24 -3.690 -0.867 -2.830 1.00 0.00 N ATOM 364 CA ILE A 24 -2.599 -0.045 -2.264 1.00 0.00 C ATOM 365 C ILE A 24 -2.143 1.018 -3.281 1.00 0.00 C ATOM 366 O ILE A 24 -2.125 2.205 -2.958 1.00 0.00 O ATOM 367 CB ILE A 24 -1.366 -0.923 -1.802 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.765 -1.893 -0.642 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.167 -0.035 -1.378 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.668 -2.852 -0.204 1.00 0.00 C ATOM 0 H ILE A 24 -3.492 -1.868 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.997 0.451 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.057 -1.523 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.074 -1.300 0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.632 -2.474 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.663 -0.669 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.144 0.582 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.465 0.607 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.038 -3.484 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.373 -3.477 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.194 -2.284 0.146 1.00 0.00 H new ATOM 382 N LEU A 25 -1.891 0.584 -4.533 1.00 0.00 N ATOM 383 CA LEU A 25 -1.423 1.469 -5.616 1.00 0.00 C ATOM 384 C LEU A 25 -2.455 2.557 -5.941 1.00 0.00 C ATOM 385 O LEU A 25 -2.081 3.701 -6.185 1.00 0.00 O ATOM 386 CB LEU A 25 -1.102 0.619 -6.877 1.00 0.00 C ATOM 387 CG LEU A 25 0.142 -0.303 -6.747 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.309 -1.209 -7.982 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.410 0.535 -6.485 1.00 0.00 C ATOM 0 H LEU A 25 -2.006 -0.388 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.517 1.975 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.970 0.003 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.951 1.291 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.014 -0.960 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.189 -1.839 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.574 -1.838 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.430 -0.592 -8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.272 -0.127 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.567 1.226 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.289 1.099 -5.560 1.00 0.00 H new ATOM 401 N GLN A 26 -3.749 2.190 -5.881 1.00 0.00 N ATOM 402 CA GLN A 26 -4.859 3.110 -6.178 1.00 0.00 C ATOM 403 C GLN A 26 -4.934 4.221 -5.119 1.00 0.00 C ATOM 404 O GLN A 26 -4.992 5.403 -5.459 1.00 0.00 O ATOM 405 CB GLN A 26 -6.197 2.326 -6.241 1.00 0.00 C ATOM 406 CG GLN A 26 -7.408 3.144 -6.744 1.00 0.00 C ATOM 407 CD GLN A 26 -7.283 3.632 -8.184 1.00 0.00 C ATOM 408 OE1 GLN A 26 -6.650 2.995 -9.026 1.00 0.00 O ATOM 409 NE2 GLN A 26 -7.912 4.748 -8.490 1.00 0.00 N ATOM 0 H GLN A 26 -4.052 1.250 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.680 3.574 -7.148 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.065 1.462 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.424 1.943 -5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.306 2.532 -6.657 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.545 4.006 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.429 5.255 -7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.882 5.105 -9.445 1.00 0.00 H new ATOM 418 N VAL A 27 -4.877 3.810 -3.841 1.00 0.00 N ATOM 419 CA VAL A 27 -4.893 4.717 -2.678 1.00 0.00 C ATOM 420 C VAL A 27 -3.736 5.745 -2.763 1.00 0.00 C ATOM 421 O VAL A 27 -3.919 6.943 -2.489 1.00 0.00 O ATOM 422 CB VAL A 27 -4.790 3.870 -1.349 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.741 4.754 -0.091 1.00 0.00 C ATOM 424 CG2 VAL A 27 -5.949 2.854 -1.242 1.00 0.00 C ATOM 0 H VAL A 27 -4.818 2.825 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.830 5.273 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.848 3.325 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.670 4.123 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.871 5.409 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.647 5.358 -0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.851 2.286 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.900 3.386 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.915 2.172 -2.092 1.00 0.00 H new ATOM 434 N LEU A 28 -2.569 5.244 -3.201 1.00 0.00 N ATOM 435 CA LEU A 28 -1.350 6.052 -3.384 1.00 0.00 C ATOM 436 C LEU A 28 -1.480 7.040 -4.566 1.00 0.00 C ATOM 437 O LEU A 28 -1.000 8.176 -4.475 1.00 0.00 O ATOM 438 CB LEU A 28 -0.127 5.127 -3.590 1.00 0.00 C ATOM 439 CG LEU A 28 0.204 4.158 -2.417 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.376 3.238 -2.781 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.478 4.915 -1.112 1.00 0.00 C ATOM 0 H LEU A 28 -2.443 4.260 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.209 6.645 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.293 4.533 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.747 5.751 -3.777 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.675 3.536 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.588 2.571 -1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.116 2.648 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.258 3.841 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.705 4.203 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.326 5.585 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.402 5.496 -0.837 1.00 0.00 H new ATOM 453 N THR A 29 -2.124 6.598 -5.669 1.00 0.00 N ATOM 454 CA THR A 29 -2.304 7.411 -6.891 1.00 0.00 C ATOM 455 C THR A 29 -3.284 8.582 -6.658 1.00 0.00 C ATOM 456 O THR A 29 -2.991 9.726 -7.031 1.00 0.00 O ATOM 457 CB THR A 29 -2.815 6.511 -8.077 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.880 5.440 -8.314 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.998 7.301 -9.384 1.00 0.00 C ATOM 0 H THR A 29 -2.534 5.666 -5.736 1.00 0.00 H new ATOM 0 HA THR A 29 -1.333 7.833 -7.151 1.00 0.00 H new ATOM 0 HB THR A 29 -3.789 6.121 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.922 4.799 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.352 6.631 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.728 8.096 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.044 7.737 -9.682 1.00 0.00 H new ATOM 467 N GLU A 30 -4.426 8.286 -6.012 1.00 0.00 N ATOM 468 CA GLU A 30 -5.502 9.270 -5.767 1.00 0.00 C ATOM 469 C GLU A 30 -5.045 10.330 -4.753 1.00 0.00 C ATOM 470 O GLU A 30 -5.433 11.499 -4.844 1.00 0.00 O ATOM 471 CB GLU A 30 -6.767 8.538 -5.254 1.00 0.00 C ATOM 472 CG GLU A 30 -7.305 7.446 -6.203 1.00 0.00 C ATOM 473 CD GLU A 30 -8.339 6.523 -5.530 1.00 0.00 C ATOM 474 OE1 GLU A 30 -8.018 5.920 -4.479 1.00 0.00 O ATOM 475 OE2 GLU A 30 -9.461 6.368 -6.053 1.00 0.00 O ATOM 0 H GLU A 30 -4.631 7.357 -5.644 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.738 9.778 -6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.542 8.084 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.553 9.274 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.760 7.920 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.472 6.845 -6.567 1.00 0.00 H new ATOM 482 N ALA A 31 -4.228 9.891 -3.781 1.00 0.00 N ATOM 483 CA ALA A 31 -3.548 10.790 -2.846 1.00 0.00 C ATOM 484 C ALA A 31 -2.502 11.641 -3.576 1.00 0.00 C ATOM 485 O ALA A 31 -2.397 12.851 -3.336 1.00 0.00 O ATOM 486 CB ALA A 31 -2.883 9.987 -1.728 1.00 0.00 C ATOM 0 H ALA A 31 -4.024 8.904 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.292 11.456 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.381 10.668 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.640 9.419 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.153 9.301 -2.157 1.00 0.00 H new ATOM 492 N GLY A 32 -1.746 10.983 -4.483 1.00 0.00 N ATOM 493 CA GLY A 32 -0.576 11.591 -5.131 1.00 0.00 C ATOM 494 C GLY A 32 0.493 11.989 -4.116 1.00 0.00 C ATOM 495 O GLY A 32 1.273 12.922 -4.344 1.00 0.00 O ATOM 0 H GLY A 32 -1.932 10.025 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.152 10.888 -5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.889 12.471 -5.693 1.00 0.00 H new ATOM 499 N SER A 33 0.519 11.242 -3.005 1.00 0.00 N ATOM 500 CA SER A 33 1.234 11.604 -1.783 1.00 0.00 C ATOM 501 C SER A 33 1.412 10.338 -0.907 1.00 0.00 C ATOM 502 O SER A 33 0.559 9.438 -0.951 1.00 0.00 O ATOM 503 CB SER A 33 0.417 12.694 -1.032 1.00 0.00 C ATOM 504 OG SER A 33 1.023 13.083 0.190 1.00 0.00 O ATOM 0 H SER A 33 0.031 10.349 -2.933 1.00 0.00 H new ATOM 0 HA SER A 33 2.221 12.003 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.308 13.568 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.586 12.318 -0.832 1.00 0.00 H new ATOM 0 HG SER A 33 0.474 13.770 0.623 1.00 0.00 H new ATOM 510 N PRO A 34 2.536 10.233 -0.130 1.00 0.00 N ATOM 511 CA PRO A 34 2.759 9.121 0.832 1.00 0.00 C ATOM 512 C PRO A 34 1.581 8.900 1.815 1.00 0.00 C ATOM 513 O PRO A 34 1.272 9.772 2.631 1.00 0.00 O ATOM 514 CB PRO A 34 4.037 9.561 1.584 1.00 0.00 C ATOM 515 CG PRO A 34 4.770 10.432 0.611 1.00 0.00 C ATOM 516 CD PRO A 34 3.699 11.162 -0.166 1.00 0.00 C ATOM 0 HA PRO A 34 2.849 8.162 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.792 10.105 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.639 8.701 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.426 11.133 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.399 9.837 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.458 12.122 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.016 11.366 -1.189 1.00 0.00 H new ATOM 524 N VAL A 35 0.922 7.736 1.707 1.00 0.00 N ATOM 525 CA VAL A 35 -0.214 7.345 2.568 1.00 0.00 C ATOM 526 C VAL A 35 0.290 6.465 3.722 1.00 0.00 C ATOM 527 O VAL A 35 1.217 5.680 3.547 1.00 0.00 O ATOM 528 CB VAL A 35 -1.294 6.544 1.735 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.466 6.053 2.610 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.806 7.381 0.550 1.00 0.00 C ATOM 0 H VAL A 35 1.163 7.029 1.012 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.674 8.250 2.966 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.797 5.656 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.179 5.509 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.086 5.393 3.390 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.962 6.909 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.547 6.808 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.261 8.299 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.972 7.630 -0.106 1.00 0.00 H new ATOM 540 N LYS A 36 -0.356 6.581 4.895 1.00 0.00 N ATOM 541 CA LYS A 36 -0.003 5.807 6.092 1.00 0.00 C ATOM 542 C LYS A 36 -0.633 4.404 6.032 1.00 0.00 C ATOM 543 O LYS A 36 -1.696 4.217 5.430 1.00 0.00 O ATOM 544 CB LYS A 36 -0.482 6.560 7.359 1.00 0.00 C ATOM 545 CG LYS A 36 0.099 7.986 7.503 1.00 0.00 C ATOM 546 CD LYS A 36 -0.427 8.725 8.757 1.00 0.00 C ATOM 547 CE LYS A 36 0.062 10.182 8.825 1.00 0.00 C ATOM 548 NZ LYS A 36 -0.421 10.990 7.675 1.00 0.00 N ATOM 0 H LYS A 36 -1.140 7.217 5.037 1.00 0.00 H new ATOM 0 HA LYS A 36 1.080 5.692 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.570 6.623 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.210 5.978 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.186 7.927 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.150 8.566 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.517 8.710 8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.103 8.193 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.281 10.636 9.755 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.152 10.197 8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.260 11.999 7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.096 10.715 6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.438 10.822 7.536 1.00 0.00 H new ATOM 562 N LEU A 37 0.032 3.451 6.704 1.00 0.00 N ATOM 563 CA LEU A 37 -0.397 2.047 6.803 1.00 0.00 C ATOM 564 C LEU A 37 -1.813 1.941 7.411 1.00 0.00 C ATOM 565 O LEU A 37 -2.683 1.253 6.870 1.00 0.00 O ATOM 566 CB LEU A 37 0.645 1.283 7.664 1.00 0.00 C ATOM 567 CG LEU A 37 0.285 -0.160 8.117 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.161 -1.138 6.934 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.311 -0.655 9.152 1.00 0.00 C ATOM 0 H LEU A 37 0.901 3.639 7.204 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.449 1.603 5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.577 1.236 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.843 1.876 8.557 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.700 -0.126 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.092 -2.130 7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.622 -0.794 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.109 -1.182 6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.053 -1.667 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.306 -0.656 8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.302 0.006 10.018 1.00 0.00 H new ATOM 581 N ALA A 38 -2.011 2.633 8.545 1.00 0.00 N ATOM 582 CA ALA A 38 -3.320 2.765 9.216 1.00 0.00 C ATOM 583 C ALA A 38 -4.457 3.265 8.289 1.00 0.00 C ATOM 584 O ALA A 38 -5.616 2.863 8.464 1.00 0.00 O ATOM 585 CB ALA A 38 -3.184 3.686 10.428 1.00 0.00 C ATOM 0 H ALA A 38 -1.259 3.123 9.029 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.610 1.762 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.151 3.782 10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.460 3.265 11.126 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.844 4.669 10.102 1.00 0.00 H new ATOM 591 N GLN A 39 -4.134 4.122 7.298 1.00 0.00 N ATOM 592 CA GLN A 39 -5.135 4.666 6.357 1.00 0.00 C ATOM 593 C GLN A 39 -5.378 3.669 5.201 1.00 0.00 C ATOM 594 O GLN A 39 -6.472 3.623 4.617 1.00 0.00 O ATOM 595 CB GLN A 39 -4.658 6.040 5.812 1.00 0.00 C ATOM 596 CG GLN A 39 -5.770 6.854 5.124 1.00 0.00 C ATOM 597 CD GLN A 39 -5.282 8.156 4.489 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.948 8.108 3.213 1.00 0.00 O flip ATOM 599 NE2 GLN A 39 -5.235 9.207 5.135 1.00 0.00 N flip ATOM 0 H GLN A 39 -3.184 4.453 7.129 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.078 4.812 6.884 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.248 6.625 6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.847 5.877 5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.235 6.238 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.543 7.086 5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.500 9.212 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.932 10.070 4.684 1.00 0.00 H new ATOM 608 N LEU A 40 -4.342 2.857 4.905 1.00 0.00 N ATOM 609 CA LEU A 40 -4.421 1.758 3.924 1.00 0.00 C ATOM 610 C LEU A 40 -5.398 0.662 4.415 1.00 0.00 C ATOM 611 O LEU A 40 -6.000 -0.016 3.603 1.00 0.00 O ATOM 612 CB LEU A 40 -3.011 1.130 3.652 1.00 0.00 C ATOM 613 CG LEU A 40 -1.940 2.044 2.955 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.543 1.371 2.958 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.362 2.405 1.516 1.00 0.00 C ATOM 0 H LEU A 40 -3.425 2.947 5.342 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.793 2.178 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.601 0.795 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.150 0.242 3.035 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.876 2.967 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.178 2.027 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.229 1.189 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.594 0.424 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.600 3.038 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.473 1.493 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.312 2.940 1.539 1.00 0.00 H new ATOM 627 N VAL A 41 -5.551 0.505 5.749 1.00 0.00 N ATOM 628 CA VAL A 41 -6.435 -0.532 6.347 1.00 0.00 C ATOM 629 C VAL A 41 -7.882 -0.417 5.837 1.00 0.00 C ATOM 630 O VAL A 41 -8.432 -1.389 5.295 1.00 0.00 O ATOM 631 CB VAL A 41 -6.407 -0.483 7.922 1.00 0.00 C ATOM 632 CG1 VAL A 41 -7.350 -1.541 8.550 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.964 -0.646 8.452 1.00 0.00 C ATOM 0 H VAL A 41 -5.073 1.085 6.439 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.040 -1.496 6.027 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.775 0.498 8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.300 -1.473 9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.373 -1.358 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.041 -2.537 8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.970 -0.609 9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.562 -1.605 8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.341 0.160 8.065 1.00 0.00 H new ATOM 643 N LYS A 42 -8.452 0.795 5.943 1.00 0.00 N ATOM 644 CA LYS A 42 -9.850 1.042 5.563 1.00 0.00 C ATOM 645 C LYS A 42 -10.028 0.995 4.027 1.00 0.00 C ATOM 646 O LYS A 42 -10.881 0.259 3.522 1.00 0.00 O ATOM 647 CB LYS A 42 -10.360 2.395 6.140 1.00 0.00 C ATOM 648 CG LYS A 42 -9.564 3.638 5.684 1.00 0.00 C ATOM 649 CD LYS A 42 -10.178 4.971 6.160 1.00 0.00 C ATOM 650 CE LYS A 42 -9.427 6.183 5.591 1.00 0.00 C ATOM 651 NZ LYS A 42 -10.011 7.471 6.058 1.00 0.00 N ATOM 0 H LYS A 42 -7.963 1.620 6.290 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.455 0.245 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.404 2.525 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.332 2.343 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.543 3.563 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.505 3.643 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.224 5.017 5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.159 5.011 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.379 6.132 5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.453 6.147 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.474 8.263 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.004 7.533 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.963 7.518 7.096 1.00 0.00 H new ATOM 665 N GLU A 43 -9.173 1.750 3.295 1.00 0.00 N ATOM 666 CA GLU A 43 -9.299 1.941 1.842 1.00 0.00 C ATOM 667 C GLU A 43 -8.951 0.662 1.079 1.00 0.00 C ATOM 668 O GLU A 43 -9.730 0.215 0.234 1.00 0.00 O ATOM 669 CB GLU A 43 -8.391 3.107 1.374 1.00 0.00 C ATOM 670 CG GLU A 43 -8.731 4.481 1.983 1.00 0.00 C ATOM 671 CD GLU A 43 -7.888 5.623 1.394 1.00 0.00 C ATOM 672 OE1 GLU A 43 -8.081 5.955 0.211 1.00 0.00 O ATOM 673 OE2 GLU A 43 -7.034 6.193 2.103 1.00 0.00 O ATOM 0 H GLU A 43 -8.378 2.242 3.703 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.338 2.188 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.357 2.863 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.452 3.182 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.787 4.694 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.578 4.442 3.061 1.00 0.00 H new ATOM 680 N CYS A 44 -7.805 0.057 1.412 1.00 0.00 N ATOM 681 CA CYS A 44 -7.337 -1.172 0.749 1.00 0.00 C ATOM 682 C CYS A 44 -8.112 -2.404 1.246 1.00 0.00 C ATOM 683 O CYS A 44 -8.015 -3.468 0.640 1.00 0.00 O ATOM 684 CB CYS A 44 -5.814 -1.342 0.936 1.00 0.00 C ATOM 685 SG CYS A 44 -4.845 0.092 0.428 1.00 0.00 S ATOM 0 H CYS A 44 -7.179 0.399 2.141 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.534 -1.080 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.609 -1.552 1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.484 -2.211 0.366 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.159 1.113 1.169 1.00 0.00 H new ATOM 691 N GLN A 45 -8.887 -2.228 2.341 1.00 0.00 N ATOM 692 CA GLN A 45 -9.849 -3.233 2.853 1.00 0.00 C ATOM 693 C GLN A 45 -9.140 -4.525 3.291 1.00 0.00 C ATOM 694 O GLN A 45 -9.536 -5.632 2.904 1.00 0.00 O ATOM 695 CB GLN A 45 -10.957 -3.526 1.791 1.00 0.00 C ATOM 696 CG GLN A 45 -11.815 -2.307 1.408 1.00 0.00 C ATOM 697 CD GLN A 45 -12.780 -2.578 0.251 1.00 0.00 C ATOM 698 OE1 GLN A 45 -12.498 -3.383 -0.641 1.00 0.00 O ATOM 699 NE2 GLN A 45 -13.916 -1.903 0.246 1.00 0.00 N ATOM 0 H GLN A 45 -8.862 -1.375 2.900 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.328 -2.815 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.484 -3.919 0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.612 -4.309 2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.386 -1.987 2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.158 -1.481 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.121 -1.244 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -14.588 -2.041 -0.509 1.00 0.00 H new ATOM 708 N ALA A 46 -8.110 -4.375 4.129 1.00 0.00 N ATOM 709 CA ALA A 46 -7.314 -5.505 4.630 1.00 0.00 C ATOM 710 C ALA A 46 -6.766 -5.202 6.031 1.00 0.00 C ATOM 711 O ALA A 46 -6.578 -4.032 6.382 1.00 0.00 O ATOM 712 CB ALA A 46 -6.160 -5.803 3.669 1.00 0.00 C ATOM 0 H ALA A 46 -7.803 -3.468 4.480 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.960 -6.380 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.577 -6.642 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.560 -6.055 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.520 -4.925 3.585 1.00 0.00 H new ATOM 718 N PRO A 47 -6.527 -6.253 6.871 1.00 0.00 N ATOM 719 CA PRO A 47 -5.866 -6.088 8.176 1.00 0.00 C ATOM 720 C PRO A 47 -4.422 -5.563 8.023 1.00 0.00 C ATOM 721 O PRO A 47 -3.747 -5.887 7.037 1.00 0.00 O ATOM 722 CB PRO A 47 -5.882 -7.521 8.779 1.00 0.00 C ATOM 723 CG PRO A 47 -6.940 -8.262 8.018 1.00 0.00 C ATOM 724 CD PRO A 47 -6.912 -7.670 6.633 1.00 0.00 C ATOM 0 HA PRO A 47 -6.369 -5.355 8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.910 -8.003 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.109 -7.496 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.733 -9.332 7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.919 -8.137 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.192 -8.180 5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.883 -7.746 6.144 1.00 0.00 H new ATOM 732 N LYS A 48 -3.993 -4.739 9.000 1.00 0.00 N ATOM 733 CA LYS A 48 -2.631 -4.160 9.083 1.00 0.00 C ATOM 734 C LYS A 48 -1.507 -5.147 8.673 1.00 0.00 C ATOM 735 O LYS A 48 -0.778 -4.879 7.720 1.00 0.00 O ATOM 736 CB LYS A 48 -2.389 -3.615 10.514 1.00 0.00 C ATOM 737 CG LYS A 48 -1.009 -2.972 10.712 1.00 0.00 C ATOM 738 CD LYS A 48 -0.803 -2.302 12.094 1.00 0.00 C ATOM 739 CE LYS A 48 -1.516 -0.940 12.252 1.00 0.00 C ATOM 740 NZ LYS A 48 -3.000 -1.058 12.338 1.00 0.00 N ATOM 0 H LYS A 48 -4.594 -4.449 9.771 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.585 -3.347 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.158 -2.879 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.504 -4.431 11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.244 -3.736 10.575 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.856 -2.224 9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.161 -2.979 12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.265 -2.162 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.145 -0.445 13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.257 -0.302 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.366 -0.356 13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.417 -0.887 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.254 -2.013 12.661 1.00 0.00 H new ATOM 754 N ARG A 49 -1.447 -6.311 9.346 1.00 0.00 N ATOM 755 CA ARG A 49 -0.399 -7.340 9.109 1.00 0.00 C ATOM 756 C ARG A 49 -0.367 -7.840 7.645 1.00 0.00 C ATOM 757 O ARG A 49 0.720 -8.103 7.097 1.00 0.00 O ATOM 758 CB ARG A 49 -0.612 -8.546 10.045 1.00 0.00 C ATOM 759 CG ARG A 49 -0.593 -8.214 11.546 1.00 0.00 C ATOM 760 CD ARG A 49 -0.806 -9.473 12.414 1.00 0.00 C ATOM 761 NE ARG A 49 -2.067 -10.176 12.080 1.00 0.00 N ATOM 762 CZ ARG A 49 -2.202 -11.507 11.902 1.00 0.00 C ATOM 763 NH1 ARG A 49 -1.152 -12.326 12.034 1.00 0.00 N ATOM 764 NH2 ARG A 49 -3.391 -12.006 11.578 1.00 0.00 N ATOM 0 H ARG A 49 -2.118 -6.571 10.069 1.00 0.00 H new ATOM 0 HA ARG A 49 0.557 -6.859 9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.568 -9.010 9.803 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.162 -9.286 9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.360 -7.751 11.804 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.372 -7.484 11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.035 -10.153 12.277 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.818 -9.189 13.466 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.905 -9.605 11.976 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.236 -11.946 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.268 -13.330 11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.192 -11.384 11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.502 -13.011 11.441 1.00 0.00 H new ATOM 778 N GLU A 50 -1.561 -7.951 7.025 1.00 0.00 N ATOM 779 CA GLU A 50 -1.700 -8.377 5.623 1.00 0.00 C ATOM 780 C GLU A 50 -1.056 -7.336 4.691 1.00 0.00 C ATOM 781 O GLU A 50 -0.246 -7.685 3.812 1.00 0.00 O ATOM 782 CB GLU A 50 -3.195 -8.576 5.257 1.00 0.00 C ATOM 783 CG GLU A 50 -3.437 -9.159 3.848 1.00 0.00 C ATOM 784 CD GLU A 50 -3.059 -10.653 3.724 1.00 0.00 C ATOM 785 OE1 GLU A 50 -1.851 -10.974 3.640 1.00 0.00 O ATOM 786 OE2 GLU A 50 -3.974 -11.510 3.701 1.00 0.00 O ATOM 0 H GLU A 50 -2.450 -7.748 7.483 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.187 -9.331 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.651 -9.237 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.705 -7.616 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.488 -9.036 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.860 -8.585 3.122 1.00 0.00 H new ATOM 793 N LEU A 51 -1.411 -6.060 4.939 1.00 0.00 N ATOM 794 CA LEU A 51 -0.884 -4.904 4.197 1.00 0.00 C ATOM 795 C LEU A 51 0.642 -4.865 4.231 1.00 0.00 C ATOM 796 O LEU A 51 1.249 -4.835 3.183 1.00 0.00 O ATOM 797 CB LEU A 51 -1.437 -3.593 4.782 1.00 0.00 C ATOM 798 CG LEU A 51 -2.968 -3.387 4.661 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.424 -2.263 5.586 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.380 -3.099 3.207 1.00 0.00 C ATOM 0 H LEU A 51 -2.078 -5.803 5.667 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.206 -5.009 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.167 -3.547 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.938 -2.759 4.288 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.460 -4.311 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.502 -2.128 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.179 -2.518 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.917 -1.338 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.460 -2.959 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.880 -2.195 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.092 -3.939 2.574 1.00 0.00 H new ATOM 812 N ASN A 52 1.227 -4.920 5.454 1.00 0.00 N ATOM 813 CA ASN A 52 2.699 -4.878 5.669 1.00 0.00 C ATOM 814 C ASN A 52 3.441 -5.874 4.785 1.00 0.00 C ATOM 815 O ASN A 52 4.386 -5.502 4.078 1.00 0.00 O ATOM 816 CB ASN A 52 3.059 -5.177 7.143 1.00 0.00 C ATOM 817 CG ASN A 52 2.686 -4.046 8.084 1.00 0.00 C ATOM 818 OD1 ASN A 52 1.589 -4.008 8.630 1.00 0.00 O ATOM 819 ND2 ASN A 52 3.606 -3.120 8.304 1.00 0.00 N ATOM 0 H ASN A 52 0.693 -4.995 6.320 1.00 0.00 H new ATOM 0 HA ASN A 52 3.010 -3.867 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.550 -6.088 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.130 -5.368 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.411 -2.349 8.942 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.510 -3.178 7.835 1.00 0.00 H new ATOM 826 N GLN A 53 2.965 -7.124 4.811 1.00 0.00 N ATOM 827 CA GLN A 53 3.557 -8.228 4.057 1.00 0.00 C ATOM 828 C GLN A 53 3.612 -7.903 2.547 1.00 0.00 C ATOM 829 O GLN A 53 4.660 -8.059 1.908 1.00 0.00 O ATOM 830 CB GLN A 53 2.732 -9.513 4.308 1.00 0.00 C ATOM 831 CG GLN A 53 3.395 -10.818 3.843 1.00 0.00 C ATOM 832 CD GLN A 53 4.672 -11.174 4.621 1.00 0.00 C ATOM 833 OE1 GLN A 53 5.780 -10.802 4.234 1.00 0.00 O ATOM 834 NE2 GLN A 53 4.520 -11.884 5.730 1.00 0.00 N ATOM 0 H GLN A 53 2.151 -7.397 5.362 1.00 0.00 H new ATOM 0 HA GLN A 53 4.581 -8.381 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.525 -9.590 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.771 -9.413 3.803 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.680 -11.634 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.637 -10.735 2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.588 -12.177 6.024 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.335 -12.137 6.289 1.00 0.00 H new ATOM 843 N VAL A 54 2.488 -7.392 2.007 1.00 0.00 N ATOM 844 CA VAL A 54 2.379 -7.030 0.591 1.00 0.00 C ATOM 845 C VAL A 54 3.234 -5.775 0.275 1.00 0.00 C ATOM 846 O VAL A 54 3.947 -5.771 -0.708 1.00 0.00 O ATOM 847 CB VAL A 54 0.875 -6.830 0.178 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.724 -6.499 -1.322 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.037 -8.081 0.544 1.00 0.00 C ATOM 0 H VAL A 54 1.637 -7.221 2.542 1.00 0.00 H new ATOM 0 HA VAL A 54 2.774 -7.853 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 54 0.498 -5.975 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.331 -6.369 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.263 -5.579 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.134 -7.315 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.001 -7.923 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.434 -8.951 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.088 -8.251 1.619 1.00 0.00 H new ATOM 859 N LEU A 55 3.192 -4.753 1.151 1.00 0.00 N ATOM 860 CA LEU A 55 3.949 -3.481 1.015 1.00 0.00 C ATOM 861 C LEU A 55 5.452 -3.670 0.772 1.00 0.00 C ATOM 862 O LEU A 55 5.994 -3.083 -0.171 1.00 0.00 O ATOM 863 CB LEU A 55 3.731 -2.596 2.276 1.00 0.00 C ATOM 864 CG LEU A 55 2.334 -1.914 2.392 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.104 -1.351 3.810 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.184 -0.811 1.325 1.00 0.00 C ATOM 0 H LEU A 55 2.619 -4.784 1.994 1.00 0.00 H new ATOM 0 HA LEU A 55 3.554 -2.990 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.888 -3.212 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.496 -1.819 2.289 1.00 0.00 H new ATOM 0 HG LEU A 55 1.570 -2.670 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.122 -0.881 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.156 -2.162 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.872 -0.611 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.203 -0.345 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.959 -0.058 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.283 -1.249 0.332 1.00 0.00 H new ATOM 878 N TYR A 56 6.127 -4.503 1.589 1.00 0.00 N ATOM 879 CA TYR A 56 7.584 -4.717 1.454 1.00 0.00 C ATOM 880 C TYR A 56 7.904 -5.541 0.195 1.00 0.00 C ATOM 881 O TYR A 56 8.989 -5.405 -0.387 1.00 0.00 O ATOM 882 CB TYR A 56 8.152 -5.394 2.723 1.00 0.00 C ATOM 883 CG TYR A 56 8.113 -4.490 3.972 1.00 0.00 C ATOM 884 CD1 TYR A 56 9.040 -3.462 4.140 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.153 -4.658 4.972 1.00 0.00 C ATOM 886 CE1 TYR A 56 9.010 -2.641 5.254 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.119 -3.839 6.086 1.00 0.00 C ATOM 888 CZ TYR A 56 8.051 -2.831 6.222 1.00 0.00 C ATOM 889 OH TYR A 56 8.023 -1.998 7.326 1.00 0.00 O ATOM 0 H TYR A 56 5.692 -5.035 2.343 1.00 0.00 H new ATOM 0 HA TYR A 56 8.065 -3.745 1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.586 -6.303 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.182 -5.695 2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.797 -3.303 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.420 -5.445 4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.739 -1.852 5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.366 -3.988 6.846 1.00 0.00 H new ATOM 0 HH TYR A 56 7.286 -2.262 7.916 1.00 0.00 H new ATOM 899 N ARG A 57 6.931 -6.365 -0.239 1.00 0.00 N ATOM 900 CA ARG A 57 7.018 -7.134 -1.485 1.00 0.00 C ATOM 901 C ARG A 57 6.964 -6.173 -2.684 1.00 0.00 C ATOM 902 O ARG A 57 7.842 -6.203 -3.543 1.00 0.00 O ATOM 903 CB ARG A 57 5.865 -8.190 -1.503 1.00 0.00 C ATOM 904 CG ARG A 57 5.865 -9.186 -2.694 1.00 0.00 C ATOM 905 CD ARG A 57 5.089 -8.699 -3.937 1.00 0.00 C ATOM 906 NE ARG A 57 5.351 -9.553 -5.106 1.00 0.00 N ATOM 907 CZ ARG A 57 4.651 -9.552 -6.249 1.00 0.00 C ATOM 908 NH1 ARG A 57 3.617 -8.743 -6.423 1.00 0.00 N ATOM 909 NH2 ARG A 57 5.020 -10.351 -7.236 1.00 0.00 N ATOM 0 H ARG A 57 6.060 -6.513 0.271 1.00 0.00 H new ATOM 0 HA ARG A 57 7.963 -7.673 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.911 -8.763 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.914 -7.658 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.897 -9.388 -2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.436 -10.131 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.021 -8.694 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.373 -7.672 -4.165 1.00 0.00 H new ATOM 0 HE ARG A 57 6.134 -10.203 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.339 -8.103 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.099 -8.759 -7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.830 -10.960 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.494 -10.358 -8.110 1.00 0.00 H new ATOM 923 N MET A 58 5.930 -5.308 -2.694 1.00 0.00 N ATOM 924 CA MET A 58 5.703 -4.281 -3.731 1.00 0.00 C ATOM 925 C MET A 58 6.863 -3.280 -3.794 1.00 0.00 C ATOM 926 O MET A 58 7.122 -2.706 -4.845 1.00 0.00 O ATOM 927 CB MET A 58 4.384 -3.521 -3.445 1.00 0.00 C ATOM 928 CG MET A 58 3.132 -4.393 -3.381 1.00 0.00 C ATOM 929 SD MET A 58 1.697 -3.494 -2.756 1.00 0.00 S ATOM 930 CE MET A 58 1.441 -2.280 -4.045 1.00 0.00 C ATOM 0 H MET A 58 5.215 -5.304 -1.967 1.00 0.00 H new ATOM 0 HA MET A 58 5.636 -4.790 -4.692 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.487 -2.991 -2.498 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.243 -2.767 -4.219 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.910 -4.779 -4.376 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.325 -5.254 -2.741 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.385 -1.286 -3.602 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.271 -2.317 -4.750 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.510 -2.497 -4.569 1.00 0.00 H new ATOM 940 N LYS A 59 7.530 -3.064 -2.650 1.00 0.00 N ATOM 941 CA LYS A 59 8.722 -2.207 -2.569 1.00 0.00 C ATOM 942 C LYS A 59 9.866 -2.794 -3.406 1.00 0.00 C ATOM 943 O LYS A 59 10.554 -2.063 -4.126 1.00 0.00 O ATOM 944 CB LYS A 59 9.167 -2.056 -1.099 1.00 0.00 C ATOM 945 CG LYS A 59 10.328 -1.059 -0.894 1.00 0.00 C ATOM 946 CD LYS A 59 11.000 -1.182 0.492 1.00 0.00 C ATOM 947 CE LYS A 59 12.219 -0.255 0.623 1.00 0.00 C ATOM 948 NZ LYS A 59 13.023 -0.530 1.848 1.00 0.00 N ATOM 0 H LYS A 59 7.259 -3.477 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 59 8.469 -1.224 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.314 -1.732 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.469 -3.032 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.077 -1.220 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.952 -0.043 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.275 -0.940 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.310 -2.214 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.853 -0.370 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.882 0.781 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.832 0.123 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.429 -0.395 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.370 -1.510 1.823 1.00 0.00 H new ATOM 962 N LYS A 60 10.030 -4.128 -3.317 1.00 0.00 N ATOM 963 CA LYS A 60 11.017 -4.870 -4.112 1.00 0.00 C ATOM 964 C LYS A 60 10.587 -4.936 -5.598 1.00 0.00 C ATOM 965 O LYS A 60 11.431 -4.991 -6.497 1.00 0.00 O ATOM 966 CB LYS A 60 11.203 -6.285 -3.511 1.00 0.00 C ATOM 967 CG LYS A 60 12.237 -7.163 -4.247 1.00 0.00 C ATOM 968 CD LYS A 60 12.504 -8.515 -3.552 1.00 0.00 C ATOM 969 CE LYS A 60 13.116 -8.354 -2.154 1.00 0.00 C ATOM 970 NZ LYS A 60 14.391 -7.591 -2.183 1.00 0.00 N ATOM 0 H LYS A 60 9.481 -4.717 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 60 11.974 -4.350 -4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.506 -6.186 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.241 -6.797 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.887 -7.349 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.175 -6.614 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.568 -9.069 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.175 -9.110 -4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.404 -7.844 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.294 -9.339 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.853 -7.651 -1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.019 -7.992 -2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.194 -6.595 -2.408 1.00 0.00 H new ATOM 984 N GLU A 61 9.261 -4.896 -5.835 1.00 0.00 N ATOM 985 CA GLU A 61 8.685 -4.802 -7.195 1.00 0.00 C ATOM 986 C GLU A 61 8.728 -3.350 -7.712 1.00 0.00 C ATOM 987 O GLU A 61 8.286 -3.097 -8.829 1.00 0.00 O ATOM 988 CB GLU A 61 7.217 -5.316 -7.198 1.00 0.00 C ATOM 989 CG GLU A 61 7.000 -6.714 -6.599 1.00 0.00 C ATOM 990 CD GLU A 61 7.771 -7.838 -7.310 1.00 0.00 C ATOM 991 OE1 GLU A 61 8.920 -8.136 -6.920 1.00 0.00 O ATOM 992 OE2 GLU A 61 7.225 -8.447 -8.253 1.00 0.00 O ATOM 0 H GLU A 61 8.560 -4.928 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 61 9.285 -5.426 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.601 -4.605 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.855 -5.321 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.295 -6.696 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.935 -6.946 -6.627 1.00 0.00 H new ATOM 999 N LEU A 62 9.211 -2.404 -6.864 1.00 0.00 N ATOM 1000 CA LEU A 62 9.358 -0.959 -7.190 1.00 0.00 C ATOM 1001 C LEU A 62 7.985 -0.277 -7.463 1.00 0.00 C ATOM 1002 O LEU A 62 7.925 0.835 -7.996 1.00 0.00 O ATOM 1003 CB LEU A 62 10.374 -0.766 -8.363 1.00 0.00 C ATOM 1004 CG LEU A 62 11.824 -1.316 -8.111 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.687 -1.252 -9.394 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.511 -0.577 -6.936 1.00 0.00 C ATOM 0 H LEU A 62 9.515 -2.628 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 62 9.767 -0.453 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.971 -1.252 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.444 0.299 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 62 11.729 -2.365 -7.832 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.683 -1.640 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.222 -1.853 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.765 -0.218 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.512 -0.981 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.579 0.486 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.926 -0.715 -6.027 1.00 0.00 H new ATOM 1018 N LYS A 63 6.894 -0.956 -7.047 1.00 0.00 N ATOM 1019 CA LYS A 63 5.511 -0.447 -7.144 1.00 0.00 C ATOM 1020 C LYS A 63 5.238 0.587 -6.047 1.00 0.00 C ATOM 1021 O LYS A 63 4.452 1.518 -6.245 1.00 0.00 O ATOM 1022 CB LYS A 63 4.496 -1.617 -7.023 1.00 0.00 C ATOM 1023 CG LYS A 63 4.632 -2.685 -8.118 1.00 0.00 C ATOM 1024 CD LYS A 63 3.577 -3.805 -8.001 1.00 0.00 C ATOM 1025 CE LYS A 63 3.749 -4.870 -9.093 1.00 0.00 C ATOM 1026 NZ LYS A 63 2.726 -5.940 -9.005 1.00 0.00 N ATOM 0 H LYS A 63 6.951 -1.885 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 63 5.392 0.031 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.621 -2.092 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.485 -1.210 -7.051 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.543 -2.210 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.628 -3.125 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.654 -4.275 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.579 -3.372 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.691 -4.395 -10.072 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.742 -5.313 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.707 -6.476 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.961 -6.581 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.792 -5.514 -8.837 1.00 0.00 H new ATOM 1040 N VAL A 64 5.878 0.404 -4.881 1.00 0.00 N ATOM 1041 CA VAL A 64 5.782 1.354 -3.754 1.00 0.00 C ATOM 1042 C VAL A 64 7.190 1.708 -3.263 1.00 0.00 C ATOM 1043 O VAL A 64 8.163 1.019 -3.588 1.00 0.00 O ATOM 1044 CB VAL A 64 4.911 0.810 -2.552 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.491 0.442 -3.009 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.579 -0.378 -1.850 1.00 0.00 C ATOM 0 H VAL A 64 6.474 -0.401 -4.690 1.00 0.00 H new ATOM 0 HA VAL A 64 5.273 2.243 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 64 4.836 1.620 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.919 0.072 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.000 1.325 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.544 -0.332 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.946 -0.719 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.719 -1.190 -2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.548 -0.070 -1.456 1.00 0.00 H new ATOM 1056 N SER A 65 7.278 2.787 -2.483 1.00 0.00 N ATOM 1057 CA SER A 65 8.531 3.269 -1.889 1.00 0.00 C ATOM 1058 C SER A 65 8.251 3.666 -0.437 1.00 0.00 C ATOM 1059 O SER A 65 7.147 4.105 -0.133 1.00 0.00 O ATOM 1060 CB SER A 65 9.069 4.478 -2.700 1.00 0.00 C ATOM 1061 OG SER A 65 10.346 4.897 -2.238 1.00 0.00 O ATOM 0 H SER A 65 6.470 3.361 -2.241 1.00 0.00 H new ATOM 0 HA SER A 65 9.290 2.487 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.134 4.208 -3.754 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.366 5.307 -2.626 1.00 0.00 H new ATOM 0 HG SER A 65 10.654 5.658 -2.773 1.00 0.00 H new ATOM 1067 N LEU A 66 9.239 3.513 0.469 1.00 0.00 N ATOM 1068 CA LEU A 66 9.055 3.877 1.889 1.00 0.00 C ATOM 1069 C LEU A 66 9.706 5.246 2.132 1.00 0.00 C ATOM 1070 O LEU A 66 10.934 5.361 2.150 1.00 0.00 O ATOM 1071 CB LEU A 66 9.657 2.807 2.845 1.00 0.00 C ATOM 1072 CG LEU A 66 9.386 3.053 4.367 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.884 2.991 4.685 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.177 2.068 5.248 1.00 0.00 C ATOM 0 H LEU A 66 10.163 3.144 0.246 1.00 0.00 H new ATOM 0 HA LEU A 66 7.988 3.925 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.255 1.831 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.734 2.764 2.685 1.00 0.00 H new ATOM 0 HG LEU A 66 9.736 4.059 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.730 3.166 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.359 3.755 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.496 2.008 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.965 2.268 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.883 1.047 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.244 2.191 5.064 1.00 0.00 H new ATOM 1086 N THR A 67 8.870 6.272 2.292 1.00 0.00 N ATOM 1087 CA THR A 67 9.306 7.666 2.468 1.00 0.00 C ATOM 1088 C THR A 67 9.552 7.987 3.960 1.00 0.00 C ATOM 1089 O THR A 67 10.562 8.602 4.312 1.00 0.00 O ATOM 1090 CB THR A 67 8.226 8.626 1.871 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.916 8.191 2.287 1.00 0.00 O ATOM 1092 CG2 THR A 67 8.276 8.678 0.330 1.00 0.00 C ATOM 0 H THR A 67 7.856 6.161 2.304 1.00 0.00 H new ATOM 0 HA THR A 67 10.249 7.809 1.940 1.00 0.00 H new ATOM 0 HB THR A 67 8.437 9.628 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.501 8.886 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.507 9.358 -0.036 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.256 9.032 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.101 7.681 -0.074 1.00 0.00 H new ATOM 1100 N SER A 68 8.627 7.538 4.818 1.00 0.00 N ATOM 1101 CA SER A 68 8.640 7.788 6.278 1.00 0.00 C ATOM 1102 C SER A 68 8.175 6.485 6.974 1.00 0.00 C ATOM 1103 O SER A 68 7.494 5.702 6.326 1.00 0.00 O ATOM 1104 CB SER A 68 7.707 8.993 6.595 1.00 0.00 C ATOM 1105 OG SER A 68 7.716 9.348 7.967 1.00 0.00 O ATOM 0 H SER A 68 7.829 6.978 4.517 1.00 0.00 H new ATOM 0 HA SER A 68 9.634 8.046 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.016 9.852 6.000 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.688 8.747 6.295 1.00 0.00 H new ATOM 0 HG SER A 68 7.116 10.109 8.112 1.00 0.00 H new ATOM 1111 N PRO A 69 8.569 6.187 8.269 1.00 0.00 N ATOM 1112 CA PRO A 69 8.158 4.932 8.987 1.00 0.00 C ATOM 1113 C PRO A 69 6.645 4.582 8.867 1.00 0.00 C ATOM 1114 O PRO A 69 5.788 5.335 9.344 1.00 0.00 O ATOM 1115 CB PRO A 69 8.560 5.236 10.454 1.00 0.00 C ATOM 1116 CG PRO A 69 9.766 6.118 10.324 1.00 0.00 C ATOM 1117 CD PRO A 69 9.496 7.004 9.117 1.00 0.00 C ATOM 0 HA PRO A 69 8.637 4.051 8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.756 5.737 10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.791 4.323 11.002 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.914 6.715 11.224 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.671 5.527 10.182 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.040 7.950 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.416 7.245 8.585 1.00 0.00 H new ATOM 1125 N ALA A 70 6.360 3.463 8.157 1.00 0.00 N ATOM 1126 CA ALA A 70 4.989 2.939 7.909 1.00 0.00 C ATOM 1127 C ALA A 70 4.179 3.856 6.969 1.00 0.00 C ATOM 1128 O ALA A 70 2.946 3.802 6.937 1.00 0.00 O ATOM 1129 CB ALA A 70 4.231 2.680 9.233 1.00 0.00 C ATOM 0 H ALA A 70 7.087 2.887 7.732 1.00 0.00 H new ATOM 0 HA ALA A 70 5.104 1.981 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.234 2.298 9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.777 1.948 9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.147 3.612 9.793 1.00 0.00 H new ATOM 1135 N THR A 71 4.881 4.694 6.200 1.00 0.00 N ATOM 1136 CA THR A 71 4.270 5.666 5.287 1.00 0.00 C ATOM 1137 C THR A 71 4.866 5.444 3.890 1.00 0.00 C ATOM 1138 O THR A 71 6.073 5.638 3.675 1.00 0.00 O ATOM 1139 CB THR A 71 4.523 7.136 5.770 1.00 0.00 C ATOM 1140 OG1 THR A 71 4.298 7.221 7.182 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.607 8.142 5.062 1.00 0.00 C ATOM 0 H THR A 71 5.901 4.717 6.194 1.00 0.00 H new ATOM 0 HA THR A 71 3.190 5.520 5.264 1.00 0.00 H new ATOM 0 HB THR A 71 5.555 7.387 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.458 8.139 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.818 9.147 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.785 8.103 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.566 7.892 5.266 1.00 0.00 H new ATOM 1149 N TRP A 72 4.015 5.037 2.949 1.00 0.00 N ATOM 1150 CA TRP A 72 4.433 4.527 1.639 1.00 0.00 C ATOM 1151 C TRP A 72 3.935 5.460 0.538 1.00 0.00 C ATOM 1152 O TRP A 72 2.835 5.989 0.636 1.00 0.00 O ATOM 1153 CB TRP A 72 3.864 3.102 1.433 1.00 0.00 C ATOM 1154 CG TRP A 72 4.369 2.102 2.449 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.867 1.855 3.701 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.486 1.225 2.291 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.608 0.880 4.318 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.602 0.472 3.470 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.390 1.003 1.257 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.597 -0.481 3.643 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.376 0.058 1.426 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.471 -0.677 2.607 1.00 0.00 C ATOM 0 H TRP A 72 3.003 5.051 3.074 1.00 0.00 H new ATOM 0 HA TRP A 72 5.521 4.484 1.596 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.776 3.142 1.483 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.124 2.756 0.433 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.014 2.354 4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.445 0.517 5.257 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.319 1.563 0.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.679 -1.046 4.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 8.087 -0.117 0.632 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.251 -1.417 2.707 1.00 0.00 H new ATOM 1173 N CYS A 73 4.740 5.648 -0.504 1.00 0.00 N ATOM 1174 CA CYS A 73 4.378 6.478 -1.662 1.00 0.00 C ATOM 1175 C CYS A 73 4.244 5.609 -2.914 1.00 0.00 C ATOM 1176 O CYS A 73 4.746 4.473 -2.949 1.00 0.00 O ATOM 1177 CB CYS A 73 5.461 7.549 -1.880 1.00 0.00 C ATOM 1178 SG CYS A 73 5.142 8.669 -3.260 1.00 0.00 S ATOM 0 H CYS A 73 5.667 5.229 -0.575 1.00 0.00 H new ATOM 0 HA CYS A 73 3.421 6.963 -1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.561 8.137 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.417 7.052 -2.046 1.00 0.00 H new ATOM 0 HG CYS A 73 6.111 9.530 -3.353 1.00 0.00 H new ATOM 1184 N LEU A 74 3.554 6.154 -3.936 1.00 0.00 N ATOM 1185 CA LEU A 74 3.397 5.485 -5.233 1.00 0.00 C ATOM 1186 C LEU A 74 4.772 5.398 -5.923 1.00 0.00 C ATOM 1187 O LEU A 74 5.269 6.390 -6.459 1.00 0.00 O ATOM 1188 CB LEU A 74 2.383 6.250 -6.122 1.00 0.00 C ATOM 1189 CG LEU A 74 2.055 5.605 -7.504 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.356 4.237 -7.353 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.222 6.568 -8.373 1.00 0.00 C ATOM 0 H LEU A 74 3.095 7.063 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 74 3.008 4.479 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.452 6.358 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.769 7.254 -6.296 1.00 0.00 H new ATOM 0 HG LEU A 74 3.002 5.421 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.146 3.825 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.006 3.555 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.421 4.364 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.005 6.097 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.287 6.801 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.784 7.487 -8.539 1.00 0.00 H new ATOM 1203 N GLY A 75 5.378 4.201 -5.872 1.00 0.00 N ATOM 1204 CA GLY A 75 6.700 3.961 -6.452 1.00 0.00 C ATOM 1205 C GLY A 75 6.626 3.774 -7.951 1.00 0.00 C ATOM 1206 O GLY A 75 7.516 4.218 -8.686 1.00 0.00 O ATOM 0 H GLY A 75 4.965 3.380 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.357 4.800 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.143 3.075 -5.996 1.00 0.00 H new ATOM 1210 N GLY A 76 5.527 3.139 -8.402 1.00 0.00 N ATOM 1211 CA GLY A 76 5.249 2.940 -9.822 1.00 0.00 C ATOM 1212 C GLY A 76 4.495 4.119 -10.414 1.00 0.00 C ATOM 1213 O GLY A 76 3.496 3.943 -11.119 1.00 0.00 O ATOM 0 H GLY A 76 4.812 2.753 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.186 2.799 -10.361 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.665 2.030 -9.955 1.00 0.00 H new ATOM 1217 N THR A 77 4.981 5.330 -10.109 1.00 0.00 N ATOM 1218 CA THR A 77 4.388 6.592 -10.572 1.00 0.00 C ATOM 1219 C THR A 77 4.822 6.875 -12.018 1.00 0.00 C ATOM 1220 O THR A 77 5.863 7.492 -12.273 1.00 0.00 O ATOM 1221 CB THR A 77 4.736 7.776 -9.597 1.00 0.00 C ATOM 1222 OG1 THR A 77 4.337 9.048 -10.140 1.00 0.00 O ATOM 1223 CG2 THR A 77 6.227 7.817 -9.223 1.00 0.00 C ATOM 0 H THR A 77 5.808 5.462 -9.526 1.00 0.00 H new ATOM 0 HA THR A 77 3.302 6.499 -10.564 1.00 0.00 H new ATOM 0 HB THR A 77 4.167 7.586 -8.687 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.567 9.760 -9.507 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.410 8.654 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.504 6.886 -8.729 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.825 7.941 -10.126 1.00 0.00 H new ATOM 1231 N ASP A 78 4.009 6.351 -12.963 1.00 0.00 N ATOM 1232 CA ASP A 78 4.245 6.459 -14.418 1.00 0.00 C ATOM 1233 C ASP A 78 5.686 6.031 -14.783 1.00 0.00 C ATOM 1234 O ASP A 78 6.528 6.876 -15.113 1.00 0.00 O ATOM 1235 CB ASP A 78 3.918 7.889 -14.933 1.00 0.00 C ATOM 1236 CG ASP A 78 2.436 8.253 -14.772 1.00 0.00 C ATOM 1237 OD1 ASP A 78 2.026 8.667 -13.659 1.00 0.00 O ATOM 1238 OD2 ASP A 78 1.664 8.117 -15.749 1.00 0.00 O ATOM 0 H ASP A 78 3.160 5.835 -12.732 1.00 0.00 H new ATOM 0 HA ASP A 78 3.567 5.770 -14.922 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.527 8.613 -14.392 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.194 7.964 -15.985 1.00 0.00 H new ATOM 1243 N PRO A 79 6.003 4.700 -14.659 1.00 0.00 N ATOM 1244 CA PRO A 79 7.374 4.159 -14.858 1.00 0.00 C ATOM 1245 C PRO A 79 7.967 4.538 -16.228 1.00 0.00 C ATOM 1246 O PRO A 79 9.063 5.096 -16.294 1.00 0.00 O ATOM 1247 CB PRO A 79 7.171 2.627 -14.721 1.00 0.00 C ATOM 1248 CG PRO A 79 5.949 2.493 -13.874 1.00 0.00 C ATOM 1249 CD PRO A 79 5.046 3.607 -14.329 1.00 0.00 C ATOM 0 HA PRO A 79 8.090 4.564 -14.143 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.035 2.155 -15.694 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.033 2.151 -14.254 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.477 1.520 -14.010 1.00 0.00 H new ATOM 0 HG3 PRO A 79 6.189 2.585 -12.815 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.451 3.316 -15.195 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.347 3.905 -13.547 1.00 0.00 H new ATOM 1257 N GLU A 80 7.198 4.247 -17.295 1.00 0.00 N ATOM 1258 CA GLU A 80 7.566 4.571 -18.688 1.00 0.00 C ATOM 1259 C GLU A 80 6.395 4.166 -19.622 1.00 0.00 C ATOM 1260 O GLU A 80 6.204 2.951 -19.854 1.00 0.00 O ATOM 1261 CB GLU A 80 8.904 3.863 -19.098 1.00 0.00 C ATOM 1262 CG GLU A 80 9.494 4.315 -20.451 1.00 0.00 C ATOM 1263 CD GLU A 80 10.857 3.669 -20.762 1.00 0.00 C ATOM 1264 OE1 GLU A 80 10.884 2.499 -21.194 1.00 0.00 O ATOM 1265 OE2 GLU A 80 11.907 4.328 -20.579 1.00 0.00 O ATOM 1266 OXT GLU A 80 5.650 5.055 -20.093 1.00 0.00 O ATOM 0 H GLU A 80 6.297 3.777 -17.214 1.00 0.00 H new ATOM 0 HA GLU A 80 7.739 5.643 -18.780 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.645 4.040 -18.318 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.732 2.787 -19.135 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.792 4.068 -21.247 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.605 5.399 -20.448 1.00 0.00 H new TER 1273 GLU A 80