USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 938 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 0.986 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -36:sc= -2.97! USER MOD Single : A 16 SER OG : rot 46:sc= 0.189 USER MOD Single : A 21 THR OG1 : rot 120:sc= -1.71! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -2.95 K(o=-3,f=-8.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -95:sc= 0.0535 USER MOD Single : A 47 GLN : amide:sc= -4.93! C(o=-4.9!,f=-8.3!) USER MOD Single : A 50 SER OG : rot -52:sc= 0.154 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00319) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0575 X(o=-0.057,f=-0.017) USER MOD Single : A 58 GLN : amide:sc=-0.00598 X(o=-0.006,f=-0.035) USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 57:sc= 0.451 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -3.58! C(o=-4.3!,f=-3.6!) USER MOD Single : A 87 HIS : no HD1:sc= -2.93! X(o=-2.9!,f=-2.9) USER MOD Single : A 89 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.74) USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= -0.0114 (180deg=-0.773) USER MOD Single : A 94 SER OG : rot 3:sc= 1.07 USER MOD Single : A 97 GLN : amide:sc=-0.00493 X(o=-0.0049,f=-0.21) USER MOD Single : A 100 GLN : amide:sc=-0.00629 K(o=-0.0063,f=-0.95) USER MOD Single : A 104 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.4) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 109 ASN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.1) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.640 -23.985 30.207 1.00 0.00 N ATOM 2 CA GLY A 1 -16.645 -23.277 28.938 1.00 0.00 C ATOM 3 C GLY A 1 -15.913 -21.938 29.054 1.00 0.00 C ATOM 4 O GLY A 1 -16.331 -21.062 29.809 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.142 -24.890 30.102 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.659 -24.166 30.500 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.115 -23.407 30.929 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.169 -23.891 28.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.673 -23.107 28.616 1.00 0.00 H new ATOM 8 N SER A 2 -14.833 -21.823 28.296 1.00 0.00 N ATOM 9 CA SER A 2 -14.039 -20.606 28.304 1.00 0.00 C ATOM 10 C SER A 2 -13.398 -20.389 26.932 1.00 0.00 C ATOM 11 O SER A 2 -12.520 -21.149 26.526 1.00 0.00 O ATOM 12 CB SER A 2 -12.962 -20.659 29.390 1.00 0.00 C ATOM 13 OG SER A 2 -11.889 -21.527 29.036 1.00 0.00 O ATOM 0 H SER A 2 -14.489 -22.553 27.672 1.00 0.00 H new ATOM 0 HA SER A 2 -14.700 -19.768 28.525 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.574 -19.656 29.565 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.407 -20.996 30.326 1.00 0.00 H new ATOM 0 HG SER A 2 -11.986 -21.803 28.101 1.00 0.00 H new ATOM 19 N SER A 3 -13.862 -19.349 26.256 1.00 0.00 N ATOM 20 CA SER A 3 -13.346 -19.022 24.937 1.00 0.00 C ATOM 21 C SER A 3 -13.395 -17.509 24.716 1.00 0.00 C ATOM 22 O SER A 3 -14.418 -16.875 24.966 1.00 0.00 O ATOM 23 CB SER A 3 -14.134 -19.745 23.843 1.00 0.00 C ATOM 24 OG SER A 3 -13.282 -20.476 22.966 1.00 0.00 O ATOM 0 H SER A 3 -14.590 -18.721 26.597 1.00 0.00 H new ATOM 0 HA SER A 3 -12.310 -19.357 24.882 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.851 -20.425 24.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.708 -19.018 23.268 1.00 0.00 H new ATOM 0 HG SER A 3 -13.823 -20.925 22.283 1.00 0.00 H new ATOM 30 N GLY A 4 -12.276 -16.975 24.249 1.00 0.00 N ATOM 31 CA GLY A 4 -12.178 -15.549 23.991 1.00 0.00 C ATOM 32 C GLY A 4 -11.188 -15.262 22.861 1.00 0.00 C ATOM 33 O GLY A 4 -10.284 -16.057 22.607 1.00 0.00 O ATOM 0 H GLY A 4 -11.429 -17.505 24.043 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.160 -15.155 23.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.860 -15.033 24.897 1.00 0.00 H new ATOM 37 N SER A 5 -11.392 -14.125 22.212 1.00 0.00 N ATOM 38 CA SER A 5 -10.528 -13.724 21.115 1.00 0.00 C ATOM 39 C SER A 5 -9.772 -12.446 21.484 1.00 0.00 C ATOM 40 O SER A 5 -8.542 -12.430 21.496 1.00 0.00 O ATOM 41 CB SER A 5 -11.331 -13.513 19.830 1.00 0.00 C ATOM 42 OG SER A 5 -10.511 -13.066 18.754 1.00 0.00 O ATOM 0 H SER A 5 -12.143 -13.469 22.425 1.00 0.00 H new ATOM 0 HA SER A 5 -9.810 -14.524 20.936 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.819 -14.447 19.550 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.120 -12.783 20.012 1.00 0.00 H new ATOM 0 HG SER A 5 -11.061 -12.945 17.952 1.00 0.00 H new ATOM 48 N SER A 6 -10.539 -11.406 21.776 1.00 0.00 N ATOM 49 CA SER A 6 -9.957 -10.127 22.144 1.00 0.00 C ATOM 50 C SER A 6 -8.833 -9.764 21.172 1.00 0.00 C ATOM 51 O SER A 6 -7.662 -10.022 21.448 1.00 0.00 O ATOM 52 CB SER A 6 -9.430 -10.155 23.580 1.00 0.00 C ATOM 53 OG SER A 6 -10.133 -9.248 24.425 1.00 0.00 O ATOM 0 H SER A 6 -11.559 -11.423 21.765 1.00 0.00 H new ATOM 0 HA SER A 6 -10.736 -9.367 22.087 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.519 -11.165 23.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.369 -9.904 23.582 1.00 0.00 H new ATOM 0 HG SER A 6 -9.768 -9.297 25.333 1.00 0.00 H new ATOM 59 N GLY A 7 -9.228 -9.171 20.055 1.00 0.00 N ATOM 60 CA GLY A 7 -8.268 -8.770 19.041 1.00 0.00 C ATOM 61 C GLY A 7 -8.353 -7.267 18.768 1.00 0.00 C ATOM 62 O GLY A 7 -8.811 -6.850 17.705 1.00 0.00 O ATOM 0 H GLY A 7 -10.200 -8.959 19.830 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.260 -9.027 19.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.455 -9.322 18.120 1.00 0.00 H new ATOM 66 N ALA A 8 -7.906 -6.495 19.747 1.00 0.00 N ATOM 67 CA ALA A 8 -7.926 -5.047 19.626 1.00 0.00 C ATOM 68 C ALA A 8 -6.528 -4.496 19.915 1.00 0.00 C ATOM 69 O ALA A 8 -5.651 -5.227 20.370 1.00 0.00 O ATOM 70 CB ALA A 8 -8.986 -4.470 20.567 1.00 0.00 C ATOM 0 H ALA A 8 -7.528 -6.844 20.627 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.194 -4.751 18.612 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.001 -3.384 20.476 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.965 -4.870 20.301 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.749 -4.745 21.595 1.00 0.00 H new ATOM 76 N GLY A 9 -6.365 -3.210 19.639 1.00 0.00 N ATOM 77 CA GLY A 9 -5.089 -2.553 19.864 1.00 0.00 C ATOM 78 C GLY A 9 -4.141 -2.777 18.684 1.00 0.00 C ATOM 79 O GLY A 9 -3.673 -1.820 18.069 1.00 0.00 O ATOM 0 H GLY A 9 -7.095 -2.606 19.262 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.247 -1.484 20.010 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.635 -2.936 20.778 1.00 0.00 H new ATOM 83 N SER A 10 -3.887 -4.047 18.404 1.00 0.00 N ATOM 84 CA SER A 10 -3.004 -4.409 17.308 1.00 0.00 C ATOM 85 C SER A 10 -3.426 -3.678 16.032 1.00 0.00 C ATOM 86 O SER A 10 -4.610 -3.416 15.825 1.00 0.00 O ATOM 87 CB SER A 10 -3.003 -5.922 17.078 1.00 0.00 C ATOM 88 OG SER A 10 -1.738 -6.391 16.621 1.00 0.00 O ATOM 0 H SER A 10 -4.277 -4.838 18.917 1.00 0.00 H new ATOM 0 HA SER A 10 -1.990 -4.108 17.572 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.264 -6.430 18.006 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.770 -6.178 16.347 1.00 0.00 H new ATOM 0 HG SER A 10 -1.777 -7.361 16.488 1.00 0.00 H new ATOM 94 N ALA A 11 -2.434 -3.370 15.209 1.00 0.00 N ATOM 95 CA ALA A 11 -2.688 -2.675 13.959 1.00 0.00 C ATOM 96 C ALA A 11 -3.032 -3.696 12.873 1.00 0.00 C ATOM 97 O ALA A 11 -2.843 -4.897 13.063 1.00 0.00 O ATOM 98 CB ALA A 11 -1.471 -1.822 13.593 1.00 0.00 C ATOM 0 H ALA A 11 -1.453 -3.589 15.384 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.540 -2.002 14.060 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.661 -1.300 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.287 -1.093 14.383 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.597 -2.464 13.480 1.00 0.00 H new ATOM 104 N THR A 12 -3.532 -3.182 11.759 1.00 0.00 N ATOM 105 CA THR A 12 -3.904 -4.034 10.643 1.00 0.00 C ATOM 106 C THR A 12 -2.720 -4.214 9.691 1.00 0.00 C ATOM 107 O THR A 12 -2.556 -5.276 9.092 1.00 0.00 O ATOM 108 CB THR A 12 -5.136 -3.423 9.972 1.00 0.00 C ATOM 109 OG1 THR A 12 -5.327 -4.219 8.806 1.00 0.00 O ATOM 110 CG2 THR A 12 -4.870 -2.019 9.425 1.00 0.00 C ATOM 0 H THR A 12 -3.688 -2.186 11.606 1.00 0.00 H new ATOM 0 HA THR A 12 -4.164 -5.037 10.981 1.00 0.00 H new ATOM 0 HB THR A 12 -5.957 -3.384 10.688 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.108 -3.893 8.311 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.776 -1.632 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.572 -1.361 10.241 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.072 -2.062 8.684 1.00 0.00 H new ATOM 118 N ILE A 13 -1.925 -3.160 9.581 1.00 0.00 N ATOM 119 CA ILE A 13 -0.761 -3.188 8.711 1.00 0.00 C ATOM 120 C ILE A 13 0.406 -2.486 9.407 1.00 0.00 C ATOM 121 O ILE A 13 0.211 -1.494 10.108 1.00 0.00 O ATOM 122 CB ILE A 13 -1.103 -2.601 7.340 1.00 0.00 C ATOM 123 CG1 ILE A 13 -2.507 -3.017 6.899 1.00 0.00 C ATOM 124 CG2 ILE A 13 -0.042 -2.977 6.303 1.00 0.00 C ATOM 125 CD1 ILE A 13 -2.908 -2.309 5.604 1.00 0.00 C ATOM 0 H ILE A 13 -2.064 -2.281 10.080 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.449 -4.215 8.523 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.101 -1.514 7.424 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.541 -4.097 6.753 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.224 -2.779 7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.309 -2.548 5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.927 -2.590 6.617 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.012 -4.062 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.910 -2.623 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.897 -1.230 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.203 -2.568 4.814 1.00 0.00 H new ATOM 137 N THR A 14 1.596 -3.028 9.190 1.00 0.00 N ATOM 138 CA THR A 14 2.795 -2.466 9.788 1.00 0.00 C ATOM 139 C THR A 14 3.932 -2.428 8.765 1.00 0.00 C ATOM 140 O THR A 14 4.353 -3.468 8.260 1.00 0.00 O ATOM 141 CB THR A 14 3.128 -3.284 11.037 1.00 0.00 C ATOM 142 OG1 THR A 14 2.640 -4.589 10.738 1.00 0.00 O ATOM 143 CG2 THR A 14 2.311 -2.850 12.256 1.00 0.00 C ATOM 0 H THR A 14 1.755 -3.851 8.608 1.00 0.00 H new ATOM 0 HA THR A 14 2.638 -1.431 10.092 1.00 0.00 H new ATOM 0 HB THR A 14 4.191 -3.189 11.260 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.816 -5.186 11.495 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.586 -3.462 13.115 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.515 -1.802 12.477 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.249 -2.976 12.046 1.00 0.00 H new ATOM 151 N TYR A 15 4.398 -1.218 8.491 1.00 0.00 N ATOM 152 CA TYR A 15 5.478 -1.031 7.538 1.00 0.00 C ATOM 153 C TYR A 15 6.831 -0.955 8.249 1.00 0.00 C ATOM 154 O TYR A 15 6.886 -0.818 9.471 1.00 0.00 O ATOM 155 CB TYR A 15 5.204 0.307 6.847 1.00 0.00 C ATOM 156 CG TYR A 15 4.304 0.197 5.614 1.00 0.00 C ATOM 157 CD1 TYR A 15 3.101 -0.474 5.696 1.00 0.00 C ATOM 158 CD2 TYR A 15 4.695 0.770 4.421 1.00 0.00 C ATOM 159 CE1 TYR A 15 2.254 -0.577 4.536 1.00 0.00 C ATOM 160 CE2 TYR A 15 3.848 0.667 3.261 1.00 0.00 C ATOM 161 CZ TYR A 15 2.669 -0.002 3.376 1.00 0.00 C ATOM 162 OH TYR A 15 1.869 -0.099 2.280 1.00 0.00 O ATOM 0 H TYR A 15 4.047 -0.358 8.912 1.00 0.00 H new ATOM 0 HA TYR A 15 5.518 -1.864 6.837 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.741 0.986 7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.154 0.754 6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.795 -0.922 6.630 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.636 1.296 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.310 -1.099 4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.142 1.111 2.321 1.00 0.00 H new ATOM 0 HH TYR A 15 1.426 -0.973 2.274 1.00 0.00 H new ATOM 172 N SER A 16 7.887 -1.048 7.456 1.00 0.00 N ATOM 173 CA SER A 16 9.235 -0.992 7.995 1.00 0.00 C ATOM 174 C SER A 16 10.023 0.132 7.319 1.00 0.00 C ATOM 175 O SER A 16 10.457 -0.009 6.177 1.00 0.00 O ATOM 176 CB SER A 16 9.957 -2.329 7.814 1.00 0.00 C ATOM 177 OG SER A 16 9.833 -2.827 6.485 1.00 0.00 O ATOM 0 H SER A 16 7.837 -1.162 6.444 1.00 0.00 H new ATOM 0 HA SER A 16 9.167 -0.788 9.064 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.012 -2.207 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.550 -3.059 8.514 1.00 0.00 H new ATOM 0 HG SER A 16 10.003 -2.103 5.847 1.00 0.00 H new ATOM 183 N VAL A 17 10.184 1.224 8.053 1.00 0.00 N ATOM 184 CA VAL A 17 10.911 2.371 7.538 1.00 0.00 C ATOM 185 C VAL A 17 11.467 3.184 8.709 1.00 0.00 C ATOM 186 O VAL A 17 10.840 3.268 9.764 1.00 0.00 O ATOM 187 CB VAL A 17 10.009 3.192 6.615 1.00 0.00 C ATOM 188 CG1 VAL A 17 8.859 3.830 7.398 1.00 0.00 C ATOM 189 CG2 VAL A 17 10.814 4.253 5.862 1.00 0.00 C ATOM 0 H VAL A 17 9.823 1.338 9.000 1.00 0.00 H new ATOM 0 HA VAL A 17 11.759 2.046 6.935 1.00 0.00 H new ATOM 0 HB VAL A 17 9.578 2.514 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.233 4.408 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.261 3.049 7.867 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.263 4.488 8.167 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.148 4.822 5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.287 4.926 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.581 3.767 5.259 1.00 0.00 H new ATOM 199 N LEU A 18 12.637 3.763 8.484 1.00 0.00 N ATOM 200 CA LEU A 18 13.284 4.566 9.507 1.00 0.00 C ATOM 201 C LEU A 18 12.358 5.715 9.909 1.00 0.00 C ATOM 202 O LEU A 18 11.150 5.650 9.687 1.00 0.00 O ATOM 203 CB LEU A 18 14.665 5.026 9.034 1.00 0.00 C ATOM 204 CG LEU A 18 15.495 3.987 8.278 1.00 0.00 C ATOM 205 CD1 LEU A 18 15.831 4.474 6.868 1.00 0.00 C ATOM 206 CD2 LEU A 18 16.750 3.608 9.068 1.00 0.00 C ATOM 0 H LEU A 18 13.154 3.692 7.608 1.00 0.00 H new ATOM 0 HA LEU A 18 13.461 3.971 10.403 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.536 5.896 8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.234 5.354 9.904 1.00 0.00 H new ATOM 0 HG LEU A 18 14.896 3.083 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 18 16.421 3.717 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.909 4.653 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.403 5.400 6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 18 17.322 2.868 8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 18 17.362 4.496 9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 18 16.461 3.190 10.032 1.00 0.00 H new ATOM 218 N GLU A 19 12.959 6.741 10.493 1.00 0.00 N ATOM 219 CA GLU A 19 12.202 7.903 10.928 1.00 0.00 C ATOM 220 C GLU A 19 12.617 9.137 10.124 1.00 0.00 C ATOM 221 O GLU A 19 11.842 10.083 9.988 1.00 0.00 O ATOM 222 CB GLU A 19 12.379 8.142 12.429 1.00 0.00 C ATOM 223 CG GLU A 19 13.860 8.154 12.812 1.00 0.00 C ATOM 224 CD GLU A 19 14.175 9.324 13.746 1.00 0.00 C ATOM 225 OE1 GLU A 19 13.545 10.387 13.557 1.00 0.00 O ATOM 226 OE2 GLU A 19 15.039 9.129 14.628 1.00 0.00 O ATOM 0 H GLU A 19 13.961 6.792 10.675 1.00 0.00 H new ATOM 0 HA GLU A 19 11.144 7.713 10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.920 9.091 12.706 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.861 7.363 12.988 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.121 7.215 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.471 8.227 11.913 1.00 0.00 H new ATOM 233 N GLU A 20 13.838 9.089 9.613 1.00 0.00 N ATOM 234 CA GLU A 20 14.365 10.191 8.826 1.00 0.00 C ATOM 235 C GLU A 20 14.416 9.809 7.345 1.00 0.00 C ATOM 236 O GLU A 20 15.250 10.319 6.598 1.00 0.00 O ATOM 237 CB GLU A 20 15.745 10.615 9.331 1.00 0.00 C ATOM 238 CG GLU A 20 16.703 9.422 9.376 1.00 0.00 C ATOM 239 CD GLU A 20 17.033 9.038 10.819 1.00 0.00 C ATOM 240 OE1 GLU A 20 17.633 9.890 11.510 1.00 0.00 O ATOM 241 OE2 GLU A 20 16.679 7.901 11.199 1.00 0.00 O ATOM 0 H GLU A 20 14.478 8.303 9.729 1.00 0.00 H new ATOM 0 HA GLU A 20 13.696 11.044 8.938 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.152 11.389 8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 20 15.654 11.051 10.326 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.254 8.571 8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.621 9.668 8.842 1.00 0.00 H new ATOM 248 N THR A 21 13.515 8.916 6.966 1.00 0.00 N ATOM 249 CA THR A 21 13.447 8.460 5.588 1.00 0.00 C ATOM 250 C THR A 21 13.473 9.652 4.630 1.00 0.00 C ATOM 251 O THR A 21 12.733 10.617 4.813 1.00 0.00 O ATOM 252 CB THR A 21 12.198 7.588 5.439 1.00 0.00 C ATOM 253 OG1 THR A 21 12.138 6.856 6.660 1.00 0.00 O ATOM 254 CG2 THR A 21 12.362 6.509 4.366 1.00 0.00 C ATOM 0 H THR A 21 12.825 8.495 7.589 1.00 0.00 H new ATOM 0 HA THR A 21 14.316 7.855 5.329 1.00 0.00 H new ATOM 0 HB THR A 21 11.343 8.218 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.297 7.058 7.121 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.448 5.919 4.301 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.559 6.980 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.196 5.858 4.629 1.00 0.00 H new ATOM 262 N ASP A 22 14.334 9.547 3.628 1.00 0.00 N ATOM 263 CA ASP A 22 14.466 10.604 2.640 1.00 0.00 C ATOM 264 C ASP A 22 13.127 10.801 1.928 1.00 0.00 C ATOM 265 O ASP A 22 12.298 9.893 1.894 1.00 0.00 O ATOM 266 CB ASP A 22 15.515 10.245 1.586 1.00 0.00 C ATOM 267 CG ASP A 22 16.833 9.704 2.142 1.00 0.00 C ATOM 268 OD1 ASP A 22 17.237 10.192 3.220 1.00 0.00 O ATOM 269 OD2 ASP A 22 17.407 8.815 1.478 1.00 0.00 O ATOM 0 H ASP A 22 14.947 8.746 3.479 1.00 0.00 H new ATOM 0 HA ASP A 22 14.772 11.513 3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.090 9.501 0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.727 11.132 0.989 1.00 0.00 H new ATOM 274 N ARG A 23 12.956 11.994 1.376 1.00 0.00 N ATOM 275 CA ARG A 23 11.732 12.321 0.665 1.00 0.00 C ATOM 276 C ARG A 23 11.668 11.562 -0.661 1.00 0.00 C ATOM 277 O ARG A 23 12.591 11.641 -1.471 1.00 0.00 O ATOM 278 CB ARG A 23 11.640 13.824 0.390 1.00 0.00 C ATOM 279 CG ARG A 23 12.870 14.318 -0.373 1.00 0.00 C ATOM 280 CD ARG A 23 12.464 15.039 -1.660 1.00 0.00 C ATOM 281 NE ARG A 23 13.663 15.334 -2.476 1.00 0.00 N ATOM 282 CZ ARG A 23 13.717 16.288 -3.414 1.00 0.00 C ATOM 283 NH1 ARG A 23 12.641 17.047 -3.661 1.00 0.00 N ATOM 284 NH2 ARG A 23 14.848 16.485 -4.106 1.00 0.00 N ATOM 0 H ARG A 23 13.645 12.746 1.407 1.00 0.00 H new ATOM 0 HA ARG A 23 10.894 12.026 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.740 14.037 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.551 14.365 1.332 1.00 0.00 H new ATOM 0 HG2 ARG A 23 13.448 14.992 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.517 13.474 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.770 14.421 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.942 15.965 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 23 14.501 14.775 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.780 16.898 -3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.683 17.774 -4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.668 15.908 -3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.889 17.212 -4.820 1.00 0.00 H new ATOM 298 N GLY A 24 10.570 10.844 -0.843 1.00 0.00 N ATOM 299 CA GLY A 24 10.374 10.071 -2.058 1.00 0.00 C ATOM 300 C GLY A 24 10.954 8.663 -1.911 1.00 0.00 C ATOM 301 O GLY A 24 11.528 8.123 -2.856 1.00 0.00 O ATOM 0 H GLY A 24 9.807 10.781 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.310 10.008 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.850 10.579 -2.897 1.00 0.00 H new ATOM 305 N SER A 25 10.784 8.108 -0.720 1.00 0.00 N ATOM 306 CA SER A 25 11.284 6.773 -0.438 1.00 0.00 C ATOM 307 C SER A 25 10.117 5.792 -0.315 1.00 0.00 C ATOM 308 O SER A 25 9.049 6.151 0.179 1.00 0.00 O ATOM 309 CB SER A 25 12.126 6.759 0.839 1.00 0.00 C ATOM 310 OG SER A 25 13.358 6.067 0.659 1.00 0.00 O ATOM 0 H SER A 25 10.307 8.559 0.061 1.00 0.00 H new ATOM 0 HA SER A 25 11.923 6.465 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.328 7.784 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.559 6.287 1.642 1.00 0.00 H new ATOM 0 HG SER A 25 13.867 6.082 1.496 1.00 0.00 H new ATOM 316 N LEU A 26 10.359 4.573 -0.774 1.00 0.00 N ATOM 317 CA LEU A 26 9.341 3.538 -0.722 1.00 0.00 C ATOM 318 C LEU A 26 9.213 3.026 0.715 1.00 0.00 C ATOM 319 O LEU A 26 10.137 2.410 1.243 1.00 0.00 O ATOM 320 CB LEU A 26 9.642 2.438 -1.741 1.00 0.00 C ATOM 321 CG LEU A 26 9.018 1.070 -1.457 1.00 0.00 C ATOM 322 CD1 LEU A 26 7.544 1.209 -1.072 1.00 0.00 C ATOM 323 CD2 LEU A 26 9.215 0.121 -2.641 1.00 0.00 C ATOM 0 H LEU A 26 11.246 4.279 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 26 8.370 3.945 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.301 2.774 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.723 2.316 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 26 9.533 0.630 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.125 0.222 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.458 1.825 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.997 1.679 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.762 -0.844 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.743 0.543 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.281 -0.013 -2.826 1.00 0.00 H new ATOM 335 N VAL A 27 8.059 3.301 1.306 1.00 0.00 N ATOM 336 CA VAL A 27 7.799 2.876 2.671 1.00 0.00 C ATOM 337 C VAL A 27 7.344 1.415 2.668 1.00 0.00 C ATOM 338 O VAL A 27 7.721 0.642 3.547 1.00 0.00 O ATOM 339 CB VAL A 27 6.786 3.816 3.328 1.00 0.00 C ATOM 340 CG1 VAL A 27 6.564 3.445 4.795 1.00 0.00 C ATOM 341 CG2 VAL A 27 7.224 5.276 3.191 1.00 0.00 C ATOM 0 H VAL A 27 7.295 3.812 0.865 1.00 0.00 H new ATOM 0 HA VAL A 27 8.709 2.932 3.268 1.00 0.00 H new ATOM 0 HB VAL A 27 5.836 3.701 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.840 4.129 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.186 2.425 4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.508 3.517 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.487 5.923 3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.192 5.412 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.306 5.534 2.135 1.00 0.00 H new ATOM 351 N GLY A 28 6.540 1.081 1.669 1.00 0.00 N ATOM 352 CA GLY A 28 6.029 -0.273 1.540 1.00 0.00 C ATOM 353 C GLY A 28 4.904 -0.338 0.505 1.00 0.00 C ATOM 354 O GLY A 28 4.624 0.647 -0.175 1.00 0.00 O ATOM 0 H GLY A 28 6.230 1.725 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.837 -0.944 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.660 -0.620 2.505 1.00 0.00 H new ATOM 358 N ASN A 29 4.289 -1.509 0.420 1.00 0.00 N ATOM 359 CA ASN A 29 3.201 -1.716 -0.520 1.00 0.00 C ATOM 360 C ASN A 29 1.870 -1.696 0.235 1.00 0.00 C ATOM 361 O ASN A 29 1.755 -2.279 1.312 1.00 0.00 O ATOM 362 CB ASN A 29 3.327 -3.070 -1.220 1.00 0.00 C ATOM 363 CG ASN A 29 3.413 -4.208 -0.201 1.00 0.00 C ATOM 364 OD1 ASN A 29 2.423 -4.815 0.174 1.00 0.00 O ATOM 365 ND2 ASN A 29 4.647 -4.462 0.224 1.00 0.00 N ATOM 0 H ASN A 29 4.524 -2.324 0.987 1.00 0.00 H new ATOM 0 HA ASN A 29 3.243 -0.921 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.469 -3.227 -1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.215 -3.075 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.809 -5.204 0.905 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.431 -3.915 -0.131 1.00 0.00 H new ATOM 372 N LEU A 30 0.898 -1.020 -0.360 1.00 0.00 N ATOM 373 CA LEU A 30 -0.420 -0.917 0.242 1.00 0.00 C ATOM 374 C LEU A 30 -1.387 -1.846 -0.495 1.00 0.00 C ATOM 375 O LEU A 30 -2.207 -2.517 0.130 1.00 0.00 O ATOM 376 CB LEU A 30 -0.878 0.542 0.282 1.00 0.00 C ATOM 377 CG LEU A 30 -1.761 0.935 1.468 1.00 0.00 C ATOM 378 CD1 LEU A 30 -1.125 0.504 2.792 1.00 0.00 C ATOM 379 CD2 LEU A 30 -2.076 2.432 1.444 1.00 0.00 C ATOM 0 H LEU A 30 0.997 -0.538 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.391 -1.246 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.006 1.180 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.422 0.757 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.709 0.405 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.773 0.795 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.994 -0.578 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.155 0.987 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.705 2.685 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.147 3.000 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.601 2.679 0.521 1.00 0.00 H new ATOM 391 N ALA A 31 -1.259 -1.855 -1.814 1.00 0.00 N ATOM 392 CA ALA A 31 -2.111 -2.690 -2.642 1.00 0.00 C ATOM 393 C ALA A 31 -1.647 -4.144 -2.541 1.00 0.00 C ATOM 394 O ALA A 31 -2.461 -5.049 -2.360 1.00 0.00 O ATOM 395 CB ALA A 31 -2.092 -2.171 -4.081 1.00 0.00 C ATOM 0 H ALA A 31 -0.578 -1.297 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.143 -2.648 -2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.732 -2.798 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.459 -1.145 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.072 -2.200 -4.465 1.00 0.00 H new ATOM 401 N LYS A 32 -0.340 -4.325 -2.664 1.00 0.00 N ATOM 402 CA LYS A 32 0.243 -5.654 -2.588 1.00 0.00 C ATOM 403 C LYS A 32 0.180 -6.152 -1.143 1.00 0.00 C ATOM 404 O LYS A 32 0.353 -7.342 -0.885 1.00 0.00 O ATOM 405 CB LYS A 32 1.655 -5.654 -3.178 1.00 0.00 C ATOM 406 CG LYS A 32 1.749 -6.604 -4.374 1.00 0.00 C ATOM 407 CD LYS A 32 2.765 -7.717 -4.110 1.00 0.00 C ATOM 408 CE LYS A 32 4.120 -7.383 -4.738 1.00 0.00 C ATOM 409 NZ LYS A 32 5.119 -7.088 -3.688 1.00 0.00 N ATOM 0 H LYS A 32 0.332 -3.573 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.330 -6.357 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.923 -4.644 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.372 -5.953 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.770 -7.040 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.038 -6.046 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.883 -7.859 -3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.393 -8.657 -4.517 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.461 -8.220 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.018 -6.525 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.033 -6.863 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.799 -6.275 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.229 -7.917 -3.070 1.00 0.00 H new ATOM 423 N ASP A 33 -0.068 -5.217 -0.238 1.00 0.00 N ATOM 424 CA ASP A 33 -0.156 -5.546 1.174 1.00 0.00 C ATOM 425 C ASP A 33 -1.459 -6.302 1.437 1.00 0.00 C ATOM 426 O ASP A 33 -1.447 -7.382 2.027 1.00 0.00 O ATOM 427 CB ASP A 33 -0.161 -4.282 2.035 1.00 0.00 C ATOM 428 CG ASP A 33 0.996 -4.172 3.031 1.00 0.00 C ATOM 429 OD1 ASP A 33 1.775 -5.147 3.105 1.00 0.00 O ATOM 430 OD2 ASP A 33 1.075 -3.117 3.695 1.00 0.00 O ATOM 0 H ASP A 33 -0.211 -4.231 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 33 0.710 -6.155 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.138 -3.413 1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.100 -4.240 2.586 1.00 0.00 H new ATOM 435 N LEU A 34 -2.553 -5.706 0.986 1.00 0.00 N ATOM 436 CA LEU A 34 -3.863 -6.310 1.165 1.00 0.00 C ATOM 437 C LEU A 34 -4.151 -7.250 -0.008 1.00 0.00 C ATOM 438 O LEU A 34 -5.287 -7.681 -0.198 1.00 0.00 O ATOM 439 CB LEU A 34 -4.928 -5.230 1.364 1.00 0.00 C ATOM 440 CG LEU A 34 -4.537 -4.062 2.271 1.00 0.00 C ATOM 441 CD1 LEU A 34 -5.738 -3.153 2.543 1.00 0.00 C ATOM 442 CD2 LEU A 34 -3.894 -4.564 3.565 1.00 0.00 C ATOM 0 H LEU A 34 -2.559 -4.811 0.497 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.883 -6.915 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.199 -4.830 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.821 -5.700 1.775 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.790 -3.462 1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.433 -2.331 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.113 -2.753 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.525 -3.727 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.626 -3.714 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.600 -5.200 4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.998 -5.137 3.327 1.00 0.00 H new ATOM 454 N GLY A 35 -3.102 -7.539 -0.764 1.00 0.00 N ATOM 455 CA GLY A 35 -3.228 -8.419 -1.913 1.00 0.00 C ATOM 456 C GLY A 35 -4.217 -7.851 -2.934 1.00 0.00 C ATOM 457 O GLY A 35 -4.791 -8.594 -3.728 1.00 0.00 O ATOM 0 H GLY A 35 -2.161 -7.179 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.253 -8.553 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.563 -9.404 -1.586 1.00 0.00 H new ATOM 461 N LEU A 36 -4.385 -6.538 -2.879 1.00 0.00 N ATOM 462 CA LEU A 36 -5.294 -5.861 -3.788 1.00 0.00 C ATOM 463 C LEU A 36 -4.563 -5.551 -5.096 1.00 0.00 C ATOM 464 O LEU A 36 -3.355 -5.758 -5.201 1.00 0.00 O ATOM 465 CB LEU A 36 -5.903 -4.628 -3.118 1.00 0.00 C ATOM 466 CG LEU A 36 -6.820 -4.898 -1.924 1.00 0.00 C ATOM 467 CD1 LEU A 36 -7.197 -3.596 -1.215 1.00 0.00 C ATOM 468 CD2 LEU A 36 -8.054 -5.697 -2.350 1.00 0.00 C ATOM 0 H LEU A 36 -3.907 -5.925 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.135 -6.508 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.091 -3.980 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.469 -4.074 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.273 -5.508 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.849 -3.817 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.294 -3.102 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.717 -2.939 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.689 -5.875 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.612 -5.134 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.741 -6.652 -2.773 1.00 0.00 H new ATOM 480 N SER A 37 -5.326 -5.061 -6.062 1.00 0.00 N ATOM 481 CA SER A 37 -4.766 -4.721 -7.359 1.00 0.00 C ATOM 482 C SER A 37 -4.788 -3.204 -7.557 1.00 0.00 C ATOM 483 O SER A 37 -5.692 -2.524 -7.073 1.00 0.00 O ATOM 484 CB SER A 37 -5.531 -5.414 -8.488 1.00 0.00 C ATOM 485 OG SER A 37 -4.863 -6.589 -8.942 1.00 0.00 O ATOM 0 H SER A 37 -6.328 -4.891 -5.972 1.00 0.00 H new ATOM 0 HA SER A 37 -3.734 -5.070 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.531 -5.676 -8.141 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.654 -4.722 -9.321 1.00 0.00 H new ATOM 0 HG SER A 37 -5.383 -7.004 -9.661 1.00 0.00 H new ATOM 491 N LEU A 38 -3.782 -2.717 -8.269 1.00 0.00 N ATOM 492 CA LEU A 38 -3.675 -1.293 -8.536 1.00 0.00 C ATOM 493 C LEU A 38 -5.038 -0.758 -8.979 1.00 0.00 C ATOM 494 O LEU A 38 -5.588 0.145 -8.350 1.00 0.00 O ATOM 495 CB LEU A 38 -2.551 -1.020 -9.539 1.00 0.00 C ATOM 496 CG LEU A 38 -1.203 -0.612 -8.941 1.00 0.00 C ATOM 497 CD1 LEU A 38 -1.379 0.488 -7.892 1.00 0.00 C ATOM 498 CD2 LEU A 38 -0.463 -1.827 -8.378 1.00 0.00 C ATOM 0 H LEU A 38 -3.034 -3.283 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.400 -0.754 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.403 -1.916 -10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.879 -0.232 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.586 -0.200 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.406 0.760 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.835 1.363 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.022 0.126 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.492 -1.509 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.066 -2.290 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.287 -2.548 -9.176 1.00 0.00 H new ATOM 510 N ARG A 39 -5.543 -1.336 -10.059 1.00 0.00 N ATOM 511 CA ARG A 39 -6.831 -0.928 -10.593 1.00 0.00 C ATOM 512 C ARG A 39 -7.829 -0.699 -9.456 1.00 0.00 C ATOM 513 O ARG A 39 -8.498 0.332 -9.411 1.00 0.00 O ATOM 514 CB ARG A 39 -7.391 -1.985 -11.548 1.00 0.00 C ATOM 515 CG ARG A 39 -8.442 -1.379 -12.480 1.00 0.00 C ATOM 516 CD ARG A 39 -8.529 -2.163 -13.791 1.00 0.00 C ATOM 517 NE ARG A 39 -9.673 -3.101 -13.746 1.00 0.00 N ATOM 518 CZ ARG A 39 -9.621 -4.323 -13.198 1.00 0.00 C ATOM 519 NH1 ARG A 39 -8.482 -4.763 -12.647 1.00 0.00 N ATOM 520 NH2 ARG A 39 -10.709 -5.106 -13.202 1.00 0.00 N ATOM 0 H ARG A 39 -5.083 -2.084 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.682 0.001 -11.143 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.581 -2.414 -12.138 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.834 -2.800 -10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.414 -1.379 -11.987 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.191 -0.339 -12.690 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.645 -1.475 -14.628 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.603 -2.714 -13.957 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.556 -2.799 -14.158 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.654 -4.168 -12.644 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.443 -5.693 -12.230 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.576 -4.772 -13.622 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.670 -6.036 -12.785 1.00 0.00 H new ATOM 534 N GLU A 40 -7.897 -1.677 -8.565 1.00 0.00 N ATOM 535 CA GLU A 40 -8.802 -1.595 -7.431 1.00 0.00 C ATOM 536 C GLU A 40 -8.434 -0.403 -6.544 1.00 0.00 C ATOM 537 O GLU A 40 -9.283 0.433 -6.240 1.00 0.00 O ATOM 538 CB GLU A 40 -8.796 -2.898 -6.629 1.00 0.00 C ATOM 539 CG GLU A 40 -9.857 -3.868 -7.151 1.00 0.00 C ATOM 540 CD GLU A 40 -10.973 -4.065 -6.123 1.00 0.00 C ATOM 541 OE1 GLU A 40 -10.700 -4.752 -5.115 1.00 0.00 O ATOM 542 OE2 GLU A 40 -12.073 -3.526 -6.369 1.00 0.00 O ATOM 0 H GLU A 40 -7.340 -2.531 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.814 -1.444 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.812 -3.362 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.982 -2.682 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.278 -3.486 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.395 -4.828 -7.381 1.00 0.00 H new ATOM 549 N LEU A 41 -7.168 -0.365 -6.155 1.00 0.00 N ATOM 550 CA LEU A 41 -6.678 0.710 -5.309 1.00 0.00 C ATOM 551 C LEU A 41 -6.918 2.051 -6.005 1.00 0.00 C ATOM 552 O LEU A 41 -7.040 3.083 -5.348 1.00 0.00 O ATOM 553 CB LEU A 41 -5.216 0.468 -4.927 1.00 0.00 C ATOM 554 CG LEU A 41 -4.981 -0.306 -3.628 1.00 0.00 C ATOM 555 CD1 LEU A 41 -4.590 0.639 -2.491 1.00 0.00 C ATOM 556 CD2 LEU A 41 -6.199 -1.160 -3.271 1.00 0.00 C ATOM 0 H LEU A 41 -6.467 -1.061 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.229 0.736 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.733 -0.073 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.718 1.434 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.144 -0.988 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.429 0.064 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.673 1.166 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.389 1.362 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.006 -1.700 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.069 -0.517 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.391 -1.873 -4.073 1.00 0.00 H new ATOM 568 N ILE A 42 -6.978 1.992 -7.328 1.00 0.00 N ATOM 569 CA ILE A 42 -7.200 3.189 -8.121 1.00 0.00 C ATOM 570 C ILE A 42 -8.679 3.576 -8.049 1.00 0.00 C ATOM 571 O ILE A 42 -9.013 4.703 -7.687 1.00 0.00 O ATOM 572 CB ILE A 42 -6.686 2.990 -9.548 1.00 0.00 C ATOM 573 CG1 ILE A 42 -5.196 3.327 -9.646 1.00 0.00 C ATOM 574 CG2 ILE A 42 -7.521 3.790 -10.549 1.00 0.00 C ATOM 575 CD1 ILE A 42 -4.353 2.056 -9.767 1.00 0.00 C ATOM 0 H ILE A 42 -6.877 1.134 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.630 4.025 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.796 1.937 -9.806 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.021 3.968 -10.510 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.888 3.889 -8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.134 3.630 -11.555 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -8.559 3.460 -10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.466 4.850 -10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.299 2.324 -9.835 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.512 1.429 -8.890 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.647 1.508 -10.663 1.00 0.00 H new ATOM 587 N THR A 43 -9.525 2.619 -8.399 1.00 0.00 N ATOM 588 CA THR A 43 -10.961 2.845 -8.378 1.00 0.00 C ATOM 589 C THR A 43 -11.416 3.254 -6.976 1.00 0.00 C ATOM 590 O THR A 43 -12.123 4.248 -6.815 1.00 0.00 O ATOM 591 CB THR A 43 -11.646 1.578 -8.894 1.00 0.00 C ATOM 592 OG1 THR A 43 -10.898 0.515 -8.310 1.00 0.00 O ATOM 593 CG2 THR A 43 -11.458 1.382 -10.400 1.00 0.00 C ATOM 0 H THR A 43 -9.244 1.685 -8.699 1.00 0.00 H new ATOM 0 HA THR A 43 -11.241 3.672 -9.030 1.00 0.00 H new ATOM 0 HB THR A 43 -12.710 1.623 -8.664 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.213 0.211 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.964 0.469 -10.714 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.882 2.233 -10.933 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.395 1.304 -10.627 1.00 0.00 H new ATOM 601 N ARG A 44 -10.992 2.468 -5.998 1.00 0.00 N ATOM 602 CA ARG A 44 -11.347 2.736 -4.615 1.00 0.00 C ATOM 603 C ARG A 44 -10.660 4.013 -4.128 1.00 0.00 C ATOM 604 O ARG A 44 -10.982 4.527 -3.058 1.00 0.00 O ATOM 605 CB ARG A 44 -10.947 1.572 -3.707 1.00 0.00 C ATOM 606 CG ARG A 44 -11.533 0.253 -4.215 1.00 0.00 C ATOM 607 CD ARG A 44 -11.074 -0.921 -3.349 1.00 0.00 C ATOM 608 NE ARG A 44 -12.153 -1.312 -2.414 1.00 0.00 N ATOM 609 CZ ARG A 44 -11.990 -2.164 -1.393 1.00 0.00 C ATOM 610 NH1 ARG A 44 -10.792 -2.719 -1.168 1.00 0.00 N ATOM 611 NH2 ARG A 44 -13.026 -2.461 -0.596 1.00 0.00 N ATOM 0 H ARG A 44 -10.406 1.645 -6.136 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.429 2.861 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -9.860 1.498 -3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.296 1.762 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.622 0.309 -4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.227 0.089 -5.248 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -10.805 -1.767 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -10.180 -0.644 -2.790 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.079 -0.907 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.003 -2.493 -1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.668 -3.368 -0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.938 -2.038 -0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.902 -3.110 0.181 1.00 0.00 H new ATOM 625 N GLY A 45 -9.724 4.489 -4.937 1.00 0.00 N ATOM 626 CA GLY A 45 -8.988 5.696 -4.603 1.00 0.00 C ATOM 627 C GLY A 45 -8.420 5.616 -3.184 1.00 0.00 C ATOM 628 O GLY A 45 -9.025 6.122 -2.240 1.00 0.00 O ATOM 0 H GLY A 45 -9.459 4.060 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.176 5.840 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.645 6.562 -4.688 1.00 0.00 H new ATOM 632 N ALA A 46 -7.264 4.978 -3.079 1.00 0.00 N ATOM 633 CA ALA A 46 -6.608 4.825 -1.792 1.00 0.00 C ATOM 634 C ALA A 46 -5.556 5.924 -1.627 1.00 0.00 C ATOM 635 O ALA A 46 -4.673 6.074 -2.471 1.00 0.00 O ATOM 636 CB ALA A 46 -6.007 3.422 -1.688 1.00 0.00 C ATOM 0 H ALA A 46 -6.765 4.561 -3.865 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.327 4.932 -0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.515 3.308 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.799 2.679 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.278 3.278 -2.486 1.00 0.00 H new ATOM 642 N GLN A 47 -5.685 6.664 -0.536 1.00 0.00 N ATOM 643 CA GLN A 47 -4.756 7.744 -0.250 1.00 0.00 C ATOM 644 C GLN A 47 -4.240 7.635 1.186 1.00 0.00 C ATOM 645 O GLN A 47 -4.888 7.028 2.037 1.00 0.00 O ATOM 646 CB GLN A 47 -5.407 9.106 -0.497 1.00 0.00 C ATOM 647 CG GLN A 47 -6.695 9.254 0.316 1.00 0.00 C ATOM 648 CD GLN A 47 -7.847 9.740 -0.566 1.00 0.00 C ATOM 649 OE1 GLN A 47 -8.785 9.018 -0.860 1.00 0.00 O ATOM 650 NE2 GLN A 47 -7.724 11.001 -0.971 1.00 0.00 N ATOM 0 H GLN A 47 -6.419 6.537 0.161 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.907 7.655 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.710 9.900 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.627 9.221 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.956 8.297 0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.535 9.958 1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.913 11.551 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.441 11.418 -1.564 1.00 0.00 H new ATOM 659 N ILE A 48 -3.079 8.232 1.411 1.00 0.00 N ATOM 660 CA ILE A 48 -2.469 8.210 2.730 1.00 0.00 C ATOM 661 C ILE A 48 -2.854 9.483 3.487 1.00 0.00 C ATOM 662 O ILE A 48 -2.738 10.585 2.954 1.00 0.00 O ATOM 663 CB ILE A 48 -0.959 7.994 2.618 1.00 0.00 C ATOM 664 CG1 ILE A 48 -0.637 6.877 1.624 1.00 0.00 C ATOM 665 CG2 ILE A 48 -0.339 7.735 3.992 1.00 0.00 C ATOM 666 CD1 ILE A 48 -1.451 5.618 1.931 1.00 0.00 C ATOM 0 H ILE A 48 -2.544 8.734 0.702 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.846 7.368 3.310 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.511 8.909 2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.851 7.215 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.427 6.645 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.735 7.585 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.522 8.591 4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.788 6.844 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.203 4.839 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.216 5.269 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.515 5.848 1.866 1.00 0.00 H new ATOM 678 N LEU A 49 -3.305 9.288 4.717 1.00 0.00 N ATOM 679 CA LEU A 49 -3.708 10.406 5.553 1.00 0.00 C ATOM 680 C LEU A 49 -2.750 10.521 6.741 1.00 0.00 C ATOM 681 O LEU A 49 -2.804 9.713 7.667 1.00 0.00 O ATOM 682 CB LEU A 49 -5.177 10.270 5.958 1.00 0.00 C ATOM 683 CG LEU A 49 -6.203 10.512 4.850 1.00 0.00 C ATOM 684 CD1 LEU A 49 -7.630 10.353 5.380 1.00 0.00 C ATOM 685 CD2 LEU A 49 -5.986 11.875 4.189 1.00 0.00 C ATOM 0 H LEU A 49 -3.400 8.372 5.155 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.640 11.341 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.332 9.267 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.376 10.970 6.769 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.059 9.754 4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.340 10.530 4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.764 9.342 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.803 11.073 6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.729 12.022 3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.087 12.662 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.987 11.914 3.754 1.00 0.00 H new ATOM 697 N SER A 50 -1.895 11.531 6.675 1.00 0.00 N ATOM 698 CA SER A 50 -0.927 11.761 7.734 1.00 0.00 C ATOM 699 C SER A 50 -0.860 13.253 8.066 1.00 0.00 C ATOM 700 O SER A 50 -0.593 14.076 7.192 1.00 0.00 O ATOM 701 CB SER A 50 0.457 11.244 7.336 1.00 0.00 C ATOM 702 OG SER A 50 0.601 9.850 7.595 1.00 0.00 O ATOM 0 H SER A 50 -1.852 12.199 5.905 1.00 0.00 H new ATOM 0 HA SER A 50 -1.250 11.212 8.618 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.624 11.435 6.276 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.221 11.795 7.884 1.00 0.00 H new ATOM 0 HG SER A 50 0.359 9.664 8.526 1.00 0.00 H new ATOM 708 N LYS A 51 -1.108 13.556 9.332 1.00 0.00 N ATOM 709 CA LYS A 51 -1.079 14.935 9.791 1.00 0.00 C ATOM 710 C LYS A 51 -2.144 15.739 9.042 1.00 0.00 C ATOM 711 O LYS A 51 -2.950 15.173 8.306 1.00 0.00 O ATOM 712 CB LYS A 51 0.331 15.513 9.664 1.00 0.00 C ATOM 713 CG LYS A 51 0.890 15.902 11.034 1.00 0.00 C ATOM 714 CD LYS A 51 2.382 16.229 10.944 1.00 0.00 C ATOM 715 CE LYS A 51 3.195 15.351 11.898 1.00 0.00 C ATOM 716 NZ LYS A 51 3.350 16.018 13.211 1.00 0.00 N ATOM 0 H LYS A 51 -1.330 12.871 10.054 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.325 14.989 10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.987 14.780 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.312 16.387 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.348 16.765 11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.735 15.086 11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.729 16.080 9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.543 17.280 11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.699 14.389 12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.176 15.148 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.933 15.424 13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.813 16.940 13.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.414 16.159 13.642 1.00 0.00 H new ATOM 730 N GLY A 52 -2.111 17.046 9.255 1.00 0.00 N ATOM 731 CA GLY A 52 -3.062 17.934 8.609 1.00 0.00 C ATOM 732 C GLY A 52 -2.342 19.022 7.810 1.00 0.00 C ATOM 733 O GLY A 52 -1.300 19.521 8.233 1.00 0.00 O ATOM 0 H GLY A 52 -1.440 17.512 9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.709 17.359 7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.703 18.394 9.361 1.00 0.00 H new ATOM 737 N ASN A 53 -2.926 19.358 6.669 1.00 0.00 N ATOM 738 CA ASN A 53 -2.353 20.378 5.807 1.00 0.00 C ATOM 739 C ASN A 53 -0.833 20.207 5.763 1.00 0.00 C ATOM 740 O ASN A 53 -0.093 21.096 6.182 1.00 0.00 O ATOM 741 CB ASN A 53 -2.656 21.781 6.336 1.00 0.00 C ATOM 742 CG ASN A 53 -4.004 22.284 5.815 1.00 0.00 C ATOM 743 OD1 ASN A 53 -4.106 22.870 4.749 1.00 0.00 O ATOM 744 ND2 ASN A 53 -5.028 22.024 6.623 1.00 0.00 N ATOM 0 H ASN A 53 -3.790 18.942 6.321 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.790 20.265 4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.665 21.769 7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.865 22.467 6.032 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.969 22.319 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.872 21.529 7.501 1.00 0.00 H new ATOM 751 N LYS A 54 -0.413 19.059 5.252 1.00 0.00 N ATOM 752 CA LYS A 54 1.006 18.761 5.149 1.00 0.00 C ATOM 753 C LYS A 54 1.190 17.424 4.427 1.00 0.00 C ATOM 754 O LYS A 54 1.691 17.384 3.305 1.00 0.00 O ATOM 755 CB LYS A 54 1.666 18.812 6.528 1.00 0.00 C ATOM 756 CG LYS A 54 3.121 19.273 6.422 1.00 0.00 C ATOM 757 CD LYS A 54 3.281 20.707 6.930 1.00 0.00 C ATOM 758 CE LYS A 54 3.622 21.661 5.783 1.00 0.00 C ATOM 759 NZ LYS A 54 4.704 22.587 6.183 1.00 0.00 N ATOM 0 H LYS A 54 -1.030 18.324 4.905 1.00 0.00 H new ATOM 0 HA LYS A 54 1.513 19.519 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.112 19.491 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.626 17.826 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.761 18.606 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.451 19.212 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.359 21.030 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.067 20.744 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.929 21.090 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.736 22.229 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.923 23.227 5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.397 23.144 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.554 22.041 6.432 1.00 0.00 H new ATOM 773 N GLN A 55 0.775 16.362 5.102 1.00 0.00 N ATOM 774 CA GLN A 55 0.888 15.027 4.540 1.00 0.00 C ATOM 775 C GLN A 55 2.354 14.694 4.255 1.00 0.00 C ATOM 776 O GLN A 55 2.972 15.297 3.379 1.00 0.00 O ATOM 777 CB GLN A 55 0.038 14.892 3.275 1.00 0.00 C ATOM 778 CG GLN A 55 -0.697 13.550 3.249 1.00 0.00 C ATOM 779 CD GLN A 55 -1.817 13.559 2.207 1.00 0.00 C ATOM 780 OE1 GLN A 55 -2.749 14.344 2.267 1.00 0.00 O ATOM 781 NE2 GLN A 55 -1.676 12.643 1.253 1.00 0.00 N ATOM 0 H GLN A 55 0.360 16.399 6.033 1.00 0.00 H new ATOM 0 HA GLN A 55 0.509 14.312 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.684 15.707 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.674 14.980 2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.008 12.750 3.024 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.114 13.340 4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.871 12.017 1.262 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.373 12.567 0.512 1.00 0.00 H new ATOM 790 N LEU A 56 2.867 13.734 5.011 1.00 0.00 N ATOM 791 CA LEU A 56 4.248 13.313 4.850 1.00 0.00 C ATOM 792 C LEU A 56 4.296 12.054 3.983 1.00 0.00 C ATOM 793 O LEU A 56 5.367 11.638 3.544 1.00 0.00 O ATOM 794 CB LEU A 56 4.920 13.146 6.215 1.00 0.00 C ATOM 795 CG LEU A 56 5.071 14.420 7.048 1.00 0.00 C ATOM 796 CD1 LEU A 56 3.875 14.608 7.985 1.00 0.00 C ATOM 797 CD2 LEU A 56 6.399 14.425 7.807 1.00 0.00 C ATOM 0 H LEU A 56 2.351 13.236 5.736 1.00 0.00 H new ATOM 0 HA LEU A 56 4.821 14.080 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.346 12.423 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.910 12.717 6.060 1.00 0.00 H new ATOM 0 HG LEU A 56 5.085 15.272 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.008 15.521 8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.960 14.682 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.804 13.755 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.481 15.342 8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.440 13.564 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.224 14.372 7.097 1.00 0.00 H new ATOM 809 N LEU A 57 3.121 11.482 3.762 1.00 0.00 N ATOM 810 CA LEU A 57 3.015 10.278 2.956 1.00 0.00 C ATOM 811 C LEU A 57 2.202 10.583 1.696 1.00 0.00 C ATOM 812 O LEU A 57 1.339 11.459 1.707 1.00 0.00 O ATOM 813 CB LEU A 57 2.451 9.124 3.787 1.00 0.00 C ATOM 814 CG LEU A 57 3.450 8.395 4.688 1.00 0.00 C ATOM 815 CD1 LEU A 57 2.746 7.347 5.552 1.00 0.00 C ATOM 816 CD2 LEU A 57 4.589 7.789 3.865 1.00 0.00 C ATOM 0 H LEU A 57 2.235 11.830 4.127 1.00 0.00 H new ATOM 0 HA LEU A 57 4.002 9.951 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.645 9.511 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.007 8.397 3.108 1.00 0.00 H new ATOM 0 HG LEU A 57 3.895 9.124 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.479 6.844 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.000 7.835 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.257 6.615 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.285 7.277 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.181 7.077 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.114 8.581 3.331 1.00 0.00 H new ATOM 828 N GLN A 58 2.507 9.843 0.640 1.00 0.00 N ATOM 829 CA GLN A 58 1.815 10.024 -0.625 1.00 0.00 C ATOM 830 C GLN A 58 1.876 8.738 -1.452 1.00 0.00 C ATOM 831 O GLN A 58 2.946 8.341 -1.912 1.00 0.00 O ATOM 832 CB GLN A 58 2.397 11.205 -1.405 1.00 0.00 C ATOM 833 CG GLN A 58 1.285 12.093 -1.966 1.00 0.00 C ATOM 834 CD GLN A 58 1.775 12.885 -3.180 1.00 0.00 C ATOM 835 OE1 GLN A 58 2.181 12.334 -4.190 1.00 0.00 O ATOM 836 NE2 GLN A 58 1.715 14.204 -3.025 1.00 0.00 N ATOM 0 H GLN A 58 3.224 9.117 0.634 1.00 0.00 H new ATOM 0 HA GLN A 58 0.769 10.249 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.043 11.793 -0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.019 10.836 -2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.431 11.477 -2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.940 12.781 -1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.364 14.600 -2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.020 14.820 -3.778 1.00 0.00 H new ATOM 845 N LEU A 59 0.715 8.121 -1.615 1.00 0.00 N ATOM 846 CA LEU A 59 0.622 6.888 -2.378 1.00 0.00 C ATOM 847 C LEU A 59 0.415 7.223 -3.857 1.00 0.00 C ATOM 848 O LEU A 59 -0.573 7.859 -4.220 1.00 0.00 O ATOM 849 CB LEU A 59 -0.461 5.978 -1.796 1.00 0.00 C ATOM 850 CG LEU A 59 -1.138 5.025 -2.784 1.00 0.00 C ATOM 851 CD1 LEU A 59 -0.226 3.844 -3.120 1.00 0.00 C ATOM 852 CD2 LEU A 59 -2.500 4.567 -2.257 1.00 0.00 C ATOM 0 H LEU A 59 -0.170 8.452 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 59 1.552 6.324 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.018 5.385 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.229 6.604 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.317 5.566 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.731 3.183 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.697 4.213 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.007 3.294 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.960 3.891 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.367 4.049 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.144 5.434 -2.111 1.00 0.00 H new ATOM 864 N GLU A 60 1.363 6.780 -4.669 1.00 0.00 N ATOM 865 CA GLU A 60 1.297 7.024 -6.100 1.00 0.00 C ATOM 866 C GLU A 60 -0.078 6.629 -6.643 1.00 0.00 C ATOM 867 O GLU A 60 -0.708 7.399 -7.367 1.00 0.00 O ATOM 868 CB GLU A 60 2.411 6.278 -6.836 1.00 0.00 C ATOM 869 CG GLU A 60 3.488 7.248 -7.329 1.00 0.00 C ATOM 870 CD GLU A 60 2.912 8.234 -8.348 1.00 0.00 C ATOM 871 OE1 GLU A 60 2.951 7.894 -9.550 1.00 0.00 O ATOM 872 OE2 GLU A 60 2.447 9.304 -7.901 1.00 0.00 O ATOM 0 H GLU A 60 2.181 6.253 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 60 1.443 8.090 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.859 5.539 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.992 5.734 -7.682 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.905 7.795 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.307 6.689 -7.781 1.00 0.00 H new ATOM 879 N GLN A 61 -0.504 5.431 -6.272 1.00 0.00 N ATOM 880 CA GLN A 61 -1.793 4.925 -6.712 1.00 0.00 C ATOM 881 C GLN A 61 -1.658 4.247 -8.077 1.00 0.00 C ATOM 882 O GLN A 61 -2.578 3.568 -8.531 1.00 0.00 O ATOM 883 CB GLN A 61 -2.835 6.043 -6.755 1.00 0.00 C ATOM 884 CG GLN A 61 -4.186 5.555 -6.227 1.00 0.00 C ATOM 885 CD GLN A 61 -5.213 6.689 -6.216 1.00 0.00 C ATOM 886 OE1 GLN A 61 -6.113 6.612 -7.192 1.00 0.00 O flip ATOM 887 NE2 GLN A 61 -5.190 7.574 -5.378 1.00 0.00 N flip ATOM 0 H GLN A 61 0.021 4.795 -5.671 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.136 4.182 -5.992 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.491 6.888 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.948 6.400 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.549 4.737 -6.849 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.065 5.160 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.470 7.573 -4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.890 8.315 -5.400 1.00 0.00 H new ATOM 896 N LYS A 62 -0.505 4.456 -8.695 1.00 0.00 N ATOM 897 CA LYS A 62 -0.238 3.874 -9.999 1.00 0.00 C ATOM 898 C LYS A 62 0.720 2.692 -9.840 1.00 0.00 C ATOM 899 O LYS A 62 0.637 1.716 -10.584 1.00 0.00 O ATOM 900 CB LYS A 62 0.262 4.945 -10.971 1.00 0.00 C ATOM 901 CG LYS A 62 1.740 5.259 -10.727 1.00 0.00 C ATOM 902 CD LYS A 62 2.623 4.604 -11.791 1.00 0.00 C ATOM 903 CE LYS A 62 2.953 5.592 -12.913 1.00 0.00 C ATOM 904 NZ LYS A 62 2.354 5.145 -14.190 1.00 0.00 N ATOM 0 H LYS A 62 0.255 5.021 -8.316 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.156 3.483 -10.436 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.123 4.604 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.330 5.852 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.893 6.338 -10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.032 4.905 -9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.545 4.246 -11.334 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.114 3.734 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.578 6.582 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.034 5.679 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.587 5.826 -14.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.732 4.209 -14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.321 5.085 -14.087 1.00 0.00 H new ATOM 918 N SER A 63 1.608 2.819 -8.864 1.00 0.00 N ATOM 919 CA SER A 63 2.580 1.773 -8.598 1.00 0.00 C ATOM 920 C SER A 63 2.097 0.891 -7.445 1.00 0.00 C ATOM 921 O SER A 63 2.440 -0.289 -7.376 1.00 0.00 O ATOM 922 CB SER A 63 3.952 2.367 -8.272 1.00 0.00 C ATOM 923 OG SER A 63 4.970 1.865 -9.135 1.00 0.00 O ATOM 0 H SER A 63 1.674 3.630 -8.249 1.00 0.00 H new ATOM 0 HA SER A 63 2.681 1.163 -9.496 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.907 3.453 -8.358 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.209 2.140 -7.237 1.00 0.00 H new ATOM 0 HG SER A 63 5.830 2.269 -8.896 1.00 0.00 H new ATOM 929 N GLY A 64 1.309 1.496 -6.569 1.00 0.00 N ATOM 930 CA GLY A 64 0.775 0.780 -5.423 1.00 0.00 C ATOM 931 C GLY A 64 1.818 0.674 -4.308 1.00 0.00 C ATOM 932 O GLY A 64 2.106 -0.420 -3.824 1.00 0.00 O ATOM 0 H GLY A 64 1.027 2.474 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.111 1.293 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.460 -0.218 -5.728 1.00 0.00 H new ATOM 936 N ASN A 65 2.356 1.825 -3.933 1.00 0.00 N ATOM 937 CA ASN A 65 3.361 1.875 -2.885 1.00 0.00 C ATOM 938 C ASN A 65 3.215 3.185 -2.107 1.00 0.00 C ATOM 939 O ASN A 65 2.481 4.080 -2.523 1.00 0.00 O ATOM 940 CB ASN A 65 4.773 1.829 -3.472 1.00 0.00 C ATOM 941 CG ASN A 65 5.202 0.388 -3.755 1.00 0.00 C ATOM 942 OD1 ASN A 65 5.135 -0.485 -2.906 1.00 0.00 O ATOM 943 ND2 ASN A 65 5.646 0.189 -4.993 1.00 0.00 N ATOM 0 H ASN A 65 2.115 2.730 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 65 3.213 1.013 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.807 2.410 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.475 2.292 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.957 -0.739 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.676 0.964 -5.655 1.00 0.00 H new ATOM 950 N LEU A 66 3.926 3.256 -0.991 1.00 0.00 N ATOM 951 CA LEU A 66 3.886 4.441 -0.152 1.00 0.00 C ATOM 952 C LEU A 66 5.121 5.300 -0.429 1.00 0.00 C ATOM 953 O LEU A 66 6.250 4.841 -0.265 1.00 0.00 O ATOM 954 CB LEU A 66 3.726 4.050 1.319 1.00 0.00 C ATOM 955 CG LEU A 66 2.308 4.139 1.886 1.00 0.00 C ATOM 956 CD1 LEU A 66 1.839 2.778 2.405 1.00 0.00 C ATOM 957 CD2 LEU A 66 2.214 5.225 2.960 1.00 0.00 C ATOM 0 H LEU A 66 4.533 2.511 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 66 3.014 5.049 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.082 3.027 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.376 4.689 1.917 1.00 0.00 H new ATOM 0 HG LEU A 66 1.634 4.426 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.828 2.869 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.844 2.056 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.510 2.439 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.196 5.267 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.901 4.993 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.478 6.190 2.526 1.00 0.00 H new ATOM 969 N LEU A 67 4.864 6.531 -0.846 1.00 0.00 N ATOM 970 CA LEU A 67 5.941 7.459 -1.147 1.00 0.00 C ATOM 971 C LEU A 67 5.894 8.627 -0.160 1.00 0.00 C ATOM 972 O LEU A 67 4.843 9.233 0.040 1.00 0.00 O ATOM 973 CB LEU A 67 5.881 7.891 -2.614 1.00 0.00 C ATOM 974 CG LEU A 67 5.867 6.762 -3.646 1.00 0.00 C ATOM 975 CD1 LEU A 67 6.978 5.748 -3.364 1.00 0.00 C ATOM 976 CD2 LEU A 67 4.490 6.098 -3.715 1.00 0.00 C ATOM 0 H LEU A 67 3.926 6.907 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 67 6.909 6.973 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.987 8.498 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.738 8.533 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 67 6.066 7.194 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.946 4.956 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.946 6.248 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.835 5.317 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.508 5.299 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.237 5.682 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.743 6.839 -3.998 1.00 0.00 H new ATOM 988 N LEU A 68 7.047 8.906 0.431 1.00 0.00 N ATOM 989 CA LEU A 68 7.151 9.990 1.393 1.00 0.00 C ATOM 990 C LEU A 68 7.064 11.329 0.657 1.00 0.00 C ATOM 991 O LEU A 68 7.688 11.509 -0.387 1.00 0.00 O ATOM 992 CB LEU A 68 8.415 9.835 2.241 1.00 0.00 C ATOM 993 CG LEU A 68 8.567 8.506 2.982 1.00 0.00 C ATOM 994 CD1 LEU A 68 10.042 8.161 3.193 1.00 0.00 C ATOM 995 CD2 LEU A 68 7.787 8.520 4.298 1.00 0.00 C ATOM 0 H LEU A 68 7.917 8.400 0.262 1.00 0.00 H new ATOM 0 HA LEU A 68 6.318 9.957 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.282 9.968 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.438 10.641 2.974 1.00 0.00 H new ATOM 0 HG LEU A 68 8.138 7.718 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.121 7.211 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.539 8.080 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.519 8.945 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.912 7.563 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.163 9.320 4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.730 8.686 4.092 1.00 0.00 H new ATOM 1007 N LYS A 69 6.285 12.234 1.232 1.00 0.00 N ATOM 1008 CA LYS A 69 6.108 13.551 0.643 1.00 0.00 C ATOM 1009 C LYS A 69 7.438 14.307 0.687 1.00 0.00 C ATOM 1010 O LYS A 69 7.974 14.687 -0.352 1.00 0.00 O ATOM 1011 CB LYS A 69 4.957 14.292 1.326 1.00 0.00 C ATOM 1012 CG LYS A 69 4.371 15.363 0.402 1.00 0.00 C ATOM 1013 CD LYS A 69 4.858 16.757 0.801 1.00 0.00 C ATOM 1014 CE LYS A 69 3.932 17.841 0.245 1.00 0.00 C ATOM 1015 NZ LYS A 69 4.237 18.101 -1.180 1.00 0.00 N ATOM 0 H LYS A 69 5.770 12.081 2.099 1.00 0.00 H new ATOM 0 HA LYS A 69 5.824 13.465 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.178 13.583 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.313 14.755 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.657 15.155 -0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.282 15.328 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.902 16.834 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.871 16.913 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.893 17.529 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.049 18.759 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.600 18.839 -1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.223 18.419 -1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.103 17.228 -1.729 1.00 0.00 H new ATOM 1029 N GLU A 70 7.931 14.502 1.901 1.00 0.00 N ATOM 1030 CA GLU A 70 9.188 15.205 2.094 1.00 0.00 C ATOM 1031 C GLU A 70 10.010 14.532 3.195 1.00 0.00 C ATOM 1032 O GLU A 70 9.620 13.487 3.715 1.00 0.00 O ATOM 1033 CB GLU A 70 8.946 16.682 2.416 1.00 0.00 C ATOM 1034 CG GLU A 70 7.563 16.888 3.035 1.00 0.00 C ATOM 1035 CD GLU A 70 7.275 18.376 3.249 1.00 0.00 C ATOM 1036 OE1 GLU A 70 8.259 19.123 3.440 1.00 0.00 O ATOM 1037 OE2 GLU A 70 6.077 18.732 3.217 1.00 0.00 O ATOM 0 H GLU A 70 7.483 14.185 2.761 1.00 0.00 H new ATOM 0 HA GLU A 70 9.755 15.157 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.713 17.038 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.033 17.275 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.802 16.456 2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.505 16.362 3.988 1.00 0.00 H new ATOM 1044 N LYS A 71 11.132 15.158 3.519 1.00 0.00 N ATOM 1045 CA LYS A 71 12.012 14.632 4.548 1.00 0.00 C ATOM 1046 C LYS A 71 11.299 14.691 5.901 1.00 0.00 C ATOM 1047 O LYS A 71 11.058 15.774 6.433 1.00 0.00 O ATOM 1048 CB LYS A 71 13.356 15.363 4.529 1.00 0.00 C ATOM 1049 CG LYS A 71 14.388 14.636 5.393 1.00 0.00 C ATOM 1050 CD LYS A 71 15.719 15.391 5.410 1.00 0.00 C ATOM 1051 CE LYS A 71 15.905 16.145 6.728 1.00 0.00 C ATOM 1052 NZ LYS A 71 16.733 15.355 7.666 1.00 0.00 N ATOM 0 H LYS A 71 11.452 16.025 3.087 1.00 0.00 H new ATOM 0 HA LYS A 71 12.242 13.585 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.720 15.435 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.225 16.382 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.010 14.536 6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.543 13.627 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.541 14.689 5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.753 16.093 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.379 17.108 6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.933 16.350 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 16.849 15.882 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 16.266 14.446 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.667 15.181 7.243 1.00 0.00 H new ATOM 1066 N LEU A 72 10.982 13.514 6.419 1.00 0.00 N ATOM 1067 CA LEU A 72 10.302 13.418 7.699 1.00 0.00 C ATOM 1068 C LEU A 72 11.087 14.207 8.749 1.00 0.00 C ATOM 1069 O LEU A 72 12.269 13.950 8.968 1.00 0.00 O ATOM 1070 CB LEU A 72 10.073 11.953 8.076 1.00 0.00 C ATOM 1071 CG LEU A 72 9.293 11.113 7.061 1.00 0.00 C ATOM 1072 CD1 LEU A 72 8.196 11.943 6.392 1.00 0.00 C ATOM 1073 CD2 LEU A 72 10.235 10.476 6.038 1.00 0.00 C ATOM 0 H LEU A 72 11.184 12.618 5.975 1.00 0.00 H new ATOM 0 HA LEU A 72 9.310 13.866 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.044 11.484 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.542 11.922 9.028 1.00 0.00 H new ATOM 0 HG LEU A 72 8.801 10.300 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.657 11.323 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.503 12.308 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.646 12.790 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.656 9.885 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.774 11.258 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.947 9.830 6.552 1.00 0.00 H new ATOM 1085 N ASP A 73 10.396 15.152 9.371 1.00 0.00 N ATOM 1086 CA ASP A 73 11.014 15.980 10.392 1.00 0.00 C ATOM 1087 C ASP A 73 11.080 15.198 11.706 1.00 0.00 C ATOM 1088 O ASP A 73 10.127 14.512 12.073 1.00 0.00 O ATOM 1089 CB ASP A 73 10.198 17.250 10.639 1.00 0.00 C ATOM 1090 CG ASP A 73 10.653 18.476 9.845 1.00 0.00 C ATOM 1091 OD1 ASP A 73 11.727 18.376 9.212 1.00 0.00 O ATOM 1092 OD2 ASP A 73 9.917 19.486 9.887 1.00 0.00 O ATOM 0 H ASP A 73 9.415 15.362 9.187 1.00 0.00 H new ATOM 0 HA ASP A 73 12.011 16.253 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.155 17.046 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.238 17.489 11.702 1.00 0.00 H new ATOM 1097 N ARG A 74 12.214 15.327 12.378 1.00 0.00 N ATOM 1098 CA ARG A 74 12.417 14.641 13.643 1.00 0.00 C ATOM 1099 C ARG A 74 11.506 15.234 14.720 1.00 0.00 C ATOM 1100 O ARG A 74 10.652 14.538 15.268 1.00 0.00 O ATOM 1101 CB ARG A 74 13.873 14.748 14.101 1.00 0.00 C ATOM 1102 CG ARG A 74 14.562 13.383 14.061 1.00 0.00 C ATOM 1103 CD ARG A 74 16.048 13.509 14.402 1.00 0.00 C ATOM 1104 NE ARG A 74 16.723 14.374 13.409 1.00 0.00 N ATOM 1105 CZ ARG A 74 16.795 15.709 13.502 1.00 0.00 C ATOM 1106 NH1 ARG A 74 16.235 16.340 14.543 1.00 0.00 N ATOM 1107 NH2 ARG A 74 17.428 16.414 12.554 1.00 0.00 N ATOM 0 H ARG A 74 13.002 15.897 12.070 1.00 0.00 H new ATOM 0 HA ARG A 74 12.172 13.590 13.493 1.00 0.00 H new ATOM 0 HB2 ARG A 74 14.409 15.449 13.461 1.00 0.00 H new ATOM 0 HB3 ARG A 74 13.911 15.149 15.114 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.079 12.707 14.767 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.449 12.943 13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 74 16.166 13.928 15.401 1.00 0.00 H new ATOM 0 HD3 ARG A 74 16.512 12.523 14.413 1.00 0.00 H new ATOM 0 HE ARG A 74 17.161 13.926 12.604 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.754 15.804 15.265 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.290 17.356 14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.855 15.934 11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 74 17.483 17.430 12.625 1.00 0.00 H new ATOM 1121 N GLU A 75 11.718 16.513 14.991 1.00 0.00 N ATOM 1122 CA GLU A 75 10.927 17.207 15.993 1.00 0.00 C ATOM 1123 C GLU A 75 9.435 17.058 15.688 1.00 0.00 C ATOM 1124 O GLU A 75 8.666 16.607 16.536 1.00 0.00 O ATOM 1125 CB GLU A 75 11.324 18.682 16.080 1.00 0.00 C ATOM 1126 CG GLU A 75 10.878 19.292 17.411 1.00 0.00 C ATOM 1127 CD GLU A 75 11.348 20.743 17.534 1.00 0.00 C ATOM 1128 OE1 GLU A 75 10.769 21.590 16.820 1.00 0.00 O ATOM 1129 OE2 GLU A 75 12.277 20.972 18.338 1.00 0.00 O ATOM 0 H GLU A 75 12.426 17.087 14.534 1.00 0.00 H new ATOM 0 HA GLU A 75 11.127 16.753 16.964 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.405 18.778 15.976 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.874 19.233 15.254 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.792 19.250 17.488 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.279 18.705 18.237 1.00 0.00 H new ATOM 1136 N GLU A 76 9.070 17.445 14.474 1.00 0.00 N ATOM 1137 CA GLU A 76 7.684 17.360 14.047 1.00 0.00 C ATOM 1138 C GLU A 76 7.044 16.074 14.573 1.00 0.00 C ATOM 1139 O GLU A 76 6.102 16.123 15.362 1.00 0.00 O ATOM 1140 CB GLU A 76 7.574 17.444 12.523 1.00 0.00 C ATOM 1141 CG GLU A 76 6.167 17.865 12.097 1.00 0.00 C ATOM 1142 CD GLU A 76 6.219 18.832 10.912 1.00 0.00 C ATOM 1143 OE1 GLU A 76 6.932 19.851 11.042 1.00 0.00 O ATOM 1144 OE2 GLU A 76 5.545 18.531 9.904 1.00 0.00 O ATOM 0 H GLU A 76 9.710 17.818 13.773 1.00 0.00 H new ATOM 0 HA GLU A 76 7.143 18.209 14.465 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.303 18.159 12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.817 16.476 12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.586 16.983 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.656 18.338 12.935 1.00 0.00 H new ATOM 1151 N LEU A 77 7.582 14.953 14.114 1.00 0.00 N ATOM 1152 CA LEU A 77 7.075 13.656 14.528 1.00 0.00 C ATOM 1153 C LEU A 77 7.388 13.441 16.010 1.00 0.00 C ATOM 1154 O LEU A 77 6.502 13.544 16.857 1.00 0.00 O ATOM 1155 CB LEU A 77 7.618 12.553 13.618 1.00 0.00 C ATOM 1156 CG LEU A 77 7.527 12.818 12.114 1.00 0.00 C ATOM 1157 CD1 LEU A 77 8.705 12.182 11.373 1.00 0.00 C ATOM 1158 CD2 LEU A 77 6.180 12.354 11.556 1.00 0.00 C ATOM 0 H LEU A 77 8.364 14.917 13.460 1.00 0.00 H new ATOM 0 HA LEU A 77 5.991 13.619 14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.663 12.381 13.874 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.080 11.631 13.837 1.00 0.00 H new ATOM 0 HG LEU A 77 7.589 13.894 11.952 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.616 12.385 10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.639 12.602 11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.700 11.105 11.539 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.141 12.554 10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.063 11.284 11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.374 12.893 12.055 1.00 0.00 H new ATOM 1170 N CYS A 78 8.651 13.145 16.279 1.00 0.00 N ATOM 1171 CA CYS A 78 9.092 12.914 17.644 1.00 0.00 C ATOM 1172 C CYS A 78 10.462 13.572 17.824 1.00 0.00 C ATOM 1173 O CYS A 78 10.548 14.761 18.127 1.00 0.00 O ATOM 1174 CB CYS A 78 9.127 11.422 17.983 1.00 0.00 C ATOM 1175 SG CYS A 78 9.509 10.323 16.570 1.00 0.00 S ATOM 0 H CYS A 78 9.383 13.060 15.574 1.00 0.00 H new ATOM 0 HA CYS A 78 8.381 13.361 18.339 1.00 0.00 H new ATOM 0 HB2 CYS A 78 9.870 11.258 18.764 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.161 11.135 18.397 1.00 0.00 H new ATOM 1180 N GLY A 79 11.498 12.770 17.629 1.00 0.00 N ATOM 1181 CA GLY A 79 12.859 13.259 17.767 1.00 0.00 C ATOM 1182 C GLY A 79 13.722 12.268 18.550 1.00 0.00 C ATOM 1183 O GLY A 79 14.778 11.850 18.078 1.00 0.00 O ATOM 0 H GLY A 79 11.422 11.785 17.376 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.292 13.423 16.780 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.853 14.223 18.276 1.00 0.00 H new ATOM 1187 N SER A 80 13.240 11.921 19.735 1.00 0.00 N ATOM 1188 CA SER A 80 13.954 10.987 20.589 1.00 0.00 C ATOM 1189 C SER A 80 12.969 10.261 21.507 1.00 0.00 C ATOM 1190 O SER A 80 13.045 10.388 22.729 1.00 0.00 O ATOM 1191 CB SER A 80 15.022 11.704 21.417 1.00 0.00 C ATOM 1192 OG SER A 80 14.458 12.685 22.282 1.00 0.00 O ATOM 0 H SER A 80 12.364 12.270 20.123 1.00 0.00 H new ATOM 0 HA SER A 80 14.455 10.257 19.954 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.573 10.973 22.009 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.740 12.180 20.749 1.00 0.00 H new ATOM 0 HG SER A 80 13.792 12.264 22.864 1.00 0.00 H new ATOM 1198 N THR A 81 12.068 9.515 20.885 1.00 0.00 N ATOM 1199 CA THR A 81 11.070 8.768 21.631 1.00 0.00 C ATOM 1200 C THR A 81 10.874 7.380 21.019 1.00 0.00 C ATOM 1201 O THR A 81 11.355 7.109 19.919 1.00 0.00 O ATOM 1202 CB THR A 81 9.788 9.601 21.670 1.00 0.00 C ATOM 1203 OG1 THR A 81 9.818 10.225 22.951 1.00 0.00 O ATOM 1204 CG2 THR A 81 8.527 8.735 21.707 1.00 0.00 C ATOM 0 H THR A 81 12.008 9.412 19.872 1.00 0.00 H new ATOM 0 HA THR A 81 11.393 8.593 22.657 1.00 0.00 H new ATOM 0 HB THR A 81 9.754 10.254 20.798 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.022 10.787 23.060 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.646 9.376 21.734 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.491 8.106 20.817 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.544 8.105 22.596 1.00 0.00 H new ATOM 1212 N ASN A 82 10.168 6.537 21.757 1.00 0.00 N ATOM 1213 CA ASN A 82 9.903 5.183 21.300 1.00 0.00 C ATOM 1214 C ASN A 82 8.615 4.673 21.950 1.00 0.00 C ATOM 1215 O ASN A 82 8.353 4.952 23.119 1.00 0.00 O ATOM 1216 CB ASN A 82 11.038 4.236 21.694 1.00 0.00 C ATOM 1217 CG ASN A 82 10.616 2.775 21.530 1.00 0.00 C ATOM 1218 OD1 ASN A 82 9.919 2.295 22.555 1.00 0.00 O flip ATOM 1219 ND2 ASN A 82 10.904 2.127 20.537 1.00 0.00 N flip ATOM 0 H ASN A 82 9.771 6.765 22.669 1.00 0.00 H new ATOM 0 HA ASN A 82 9.813 5.206 20.214 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.914 4.436 21.077 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.328 4.421 22.729 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.442 2.558 19.785 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.606 1.155 20.459 1.00 0.00 H new ATOM 1226 N PRO A 83 7.825 3.915 21.143 1.00 0.00 N ATOM 1227 CA PRO A 83 8.210 3.632 19.771 1.00 0.00 C ATOM 1228 C PRO A 83 8.002 4.858 18.880 1.00 0.00 C ATOM 1229 O PRO A 83 7.263 5.773 19.239 1.00 0.00 O ATOM 1230 CB PRO A 83 7.352 2.447 19.359 1.00 0.00 C ATOM 1231 CG PRO A 83 6.197 2.404 20.346 1.00 0.00 C ATOM 1232 CD PRO A 83 6.550 3.309 21.515 1.00 0.00 C ATOM 0 HA PRO A 83 9.269 3.394 19.671 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.989 2.564 18.338 1.00 0.00 H new ATOM 0 HB3 PRO A 83 7.926 1.521 19.389 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.275 2.738 19.870 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.027 1.384 20.691 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.783 4.067 21.675 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.636 2.743 22.442 1.00 0.00 H new ATOM 1240 N CYS A 84 8.669 4.837 17.735 1.00 0.00 N ATOM 1241 CA CYS A 84 8.567 5.936 16.789 1.00 0.00 C ATOM 1242 C CYS A 84 7.791 5.446 15.565 1.00 0.00 C ATOM 1243 O CYS A 84 8.295 5.499 14.445 1.00 0.00 O ATOM 1244 CB CYS A 84 9.944 6.485 16.410 1.00 0.00 C ATOM 1245 SG CYS A 84 10.023 8.305 16.235 1.00 0.00 S ATOM 0 H CYS A 84 9.282 4.077 17.441 1.00 0.00 H new ATOM 0 HA CYS A 84 8.031 6.767 17.249 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.664 6.175 17.167 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.255 6.030 15.470 1.00 0.00 H new ATOM 1250 N ILE A 85 6.577 4.982 15.822 1.00 0.00 N ATOM 1251 CA ILE A 85 5.726 4.483 14.755 1.00 0.00 C ATOM 1252 C ILE A 85 4.933 5.646 14.155 1.00 0.00 C ATOM 1253 O ILE A 85 4.443 6.508 14.882 1.00 0.00 O ATOM 1254 CB ILE A 85 4.848 3.337 15.261 1.00 0.00 C ATOM 1255 CG1 ILE A 85 5.697 2.121 15.638 1.00 0.00 C ATOM 1256 CG2 ILE A 85 3.764 2.985 14.240 1.00 0.00 C ATOM 1257 CD1 ILE A 85 4.813 0.933 16.023 1.00 0.00 C ATOM 0 H ILE A 85 6.162 4.941 16.753 1.00 0.00 H new ATOM 0 HA ILE A 85 6.330 4.060 13.952 1.00 0.00 H new ATOM 0 HB ILE A 85 4.341 3.669 16.167 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.337 1.846 14.800 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.353 2.375 16.470 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.154 2.168 14.624 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.134 3.856 14.064 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.231 2.680 13.304 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.441 0.082 16.286 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.192 1.203 16.877 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.175 0.666 15.180 1.00 0.00 H new ATOM 1269 N LEU A 86 4.833 5.633 12.833 1.00 0.00 N ATOM 1270 CA LEU A 86 4.108 6.675 12.127 1.00 0.00 C ATOM 1271 C LEU A 86 2.605 6.420 12.252 1.00 0.00 C ATOM 1272 O LEU A 86 2.178 5.280 12.429 1.00 0.00 O ATOM 1273 CB LEU A 86 4.596 6.782 10.681 1.00 0.00 C ATOM 1274 CG LEU A 86 4.596 8.187 10.075 1.00 0.00 C ATOM 1275 CD1 LEU A 86 5.941 8.499 9.415 1.00 0.00 C ATOM 1276 CD2 LEU A 86 3.427 8.365 9.105 1.00 0.00 C ATOM 0 H LEU A 86 5.242 4.917 12.233 1.00 0.00 H new ATOM 0 HA LEU A 86 4.305 7.648 12.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.610 6.386 10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.972 6.140 10.059 1.00 0.00 H new ATOM 0 HG LEU A 86 4.458 8.907 10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.915 9.503 8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.734 8.440 10.160 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.133 7.776 8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.450 9.372 8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.509 7.637 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.487 8.214 9.636 1.00 0.00 H new ATOM 1288 N HIS A 87 1.843 7.500 12.155 1.00 0.00 N ATOM 1289 CA HIS A 87 0.397 7.407 12.254 1.00 0.00 C ATOM 1290 C HIS A 87 -0.237 7.815 10.923 1.00 0.00 C ATOM 1291 O HIS A 87 -0.176 8.980 10.533 1.00 0.00 O ATOM 1292 CB HIS A 87 -0.121 8.232 13.434 1.00 0.00 C ATOM 1293 CG HIS A 87 0.898 8.444 14.529 1.00 0.00 C ATOM 1294 ND1 HIS A 87 1.710 7.430 15.005 1.00 0.00 N ATOM 1295 CD2 HIS A 87 1.228 9.564 15.233 1.00 0.00 C ATOM 1296 CE1 HIS A 87 2.489 7.928 15.954 1.00 0.00 C ATOM 1297 NE2 HIS A 87 2.189 9.251 16.094 1.00 0.00 N ATOM 0 H HIS A 87 2.201 8.444 12.009 1.00 0.00 H new ATOM 0 HA HIS A 87 0.109 6.375 12.452 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.453 9.203 13.067 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.995 7.735 13.856 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.783 10.540 15.111 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.231 7.382 16.518 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.630 9.894 16.752 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.830 6.832 10.261 1.00 0.00 N ATOM 1306 CA PHE A 88 -1.474 7.074 8.981 1.00 0.00 C ATOM 1307 C PHE A 88 -2.777 6.280 8.864 1.00 0.00 C ATOM 1308 O PHE A 88 -3.101 5.480 9.740 1.00 0.00 O ATOM 1309 CB PHE A 88 -0.504 6.603 7.896 1.00 0.00 C ATOM 1310 CG PHE A 88 -0.484 5.086 7.695 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.367 4.315 8.425 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -1.316 4.509 6.787 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.385 2.908 8.239 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -1.297 3.102 6.601 1.00 0.00 C ATOM 1315 CZ PHE A 88 -0.447 2.330 7.331 1.00 0.00 C ATOM 0 H PHE A 88 -0.878 5.867 10.587 1.00 0.00 H new ATOM 0 HA PHE A 88 -1.715 8.132 8.880 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.770 7.081 6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.501 6.939 8.151 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.028 4.773 9.145 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.991 5.121 6.208 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.060 2.296 8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.958 2.644 5.880 1.00 0.00 H new ATOM 0 HZ PHE A 88 -0.433 1.259 7.190 1.00 0.00 H new ATOM 1325 N GLN A 89 -3.488 6.528 7.774 1.00 0.00 N ATOM 1326 CA GLN A 89 -4.748 5.847 7.531 1.00 0.00 C ATOM 1327 C GLN A 89 -5.040 5.791 6.030 1.00 0.00 C ATOM 1328 O GLN A 89 -4.839 6.773 5.318 1.00 0.00 O ATOM 1329 CB GLN A 89 -5.892 6.523 8.287 1.00 0.00 C ATOM 1330 CG GLN A 89 -5.820 6.212 9.783 1.00 0.00 C ATOM 1331 CD GLN A 89 -7.221 6.125 10.393 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -8.146 5.580 9.813 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -7.325 6.690 11.593 1.00 0.00 N ATOM 0 H GLN A 89 -3.215 7.191 7.049 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.664 4.826 7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.847 7.601 8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.848 6.184 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.293 5.270 9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.245 6.986 10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.511 7.129 12.022 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.219 6.684 12.084 1.00 0.00 H new ATOM 1342 N VAL A 90 -5.509 4.631 5.594 1.00 0.00 N ATOM 1343 CA VAL A 90 -5.831 4.434 4.191 1.00 0.00 C ATOM 1344 C VAL A 90 -7.292 4.816 3.948 1.00 0.00 C ATOM 1345 O VAL A 90 -8.202 4.114 4.386 1.00 0.00 O ATOM 1346 CB VAL A 90 -5.513 2.995 3.778 1.00 0.00 C ATOM 1347 CG1 VAL A 90 -6.140 2.663 2.422 1.00 0.00 C ATOM 1348 CG2 VAL A 90 -4.003 2.751 3.759 1.00 0.00 C ATOM 0 H VAL A 90 -5.674 3.818 6.188 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.217 5.081 3.564 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.950 2.328 4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.899 1.635 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.222 2.778 2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.746 3.339 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.805 1.721 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.534 3.430 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.593 2.927 4.754 1.00 0.00 H new ATOM 1358 N LEU A 91 -7.472 5.930 3.252 1.00 0.00 N ATOM 1359 CA LEU A 91 -8.807 6.414 2.947 1.00 0.00 C ATOM 1360 C LEU A 91 -9.304 5.750 1.661 1.00 0.00 C ATOM 1361 O LEU A 91 -8.552 5.615 0.697 1.00 0.00 O ATOM 1362 CB LEU A 91 -8.824 7.943 2.895 1.00 0.00 C ATOM 1363 CG LEU A 91 -9.894 8.572 2.001 1.00 0.00 C ATOM 1364 CD1 LEU A 91 -11.296 8.306 2.553 1.00 0.00 C ATOM 1365 CD2 LEU A 91 -9.631 10.066 1.800 1.00 0.00 C ATOM 0 H LEU A 91 -6.715 6.511 2.891 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.503 6.137 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.959 8.320 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.847 8.286 2.555 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.840 8.100 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.038 8.764 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.470 7.231 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.381 8.733 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.406 10.489 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.642 10.571 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.657 10.204 1.330 1.00 0.00 H new ATOM 1377 N LEU A 92 -10.568 5.353 1.688 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.174 4.706 0.537 1.00 0.00 C ATOM 1379 C LEU A 92 -12.517 5.372 0.232 1.00 0.00 C ATOM 1380 O LEU A 92 -13.180 5.882 1.134 1.00 0.00 O ATOM 1381 CB LEU A 92 -11.273 3.196 0.761 1.00 0.00 C ATOM 1382 CG LEU A 92 -9.944 2.443 0.855 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -10.175 0.958 1.143 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -9.102 2.660 -0.403 1.00 0.00 C ATOM 0 H LEU A 92 -11.189 5.467 2.489 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.547 4.833 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -11.833 3.021 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.855 2.765 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.379 2.849 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.215 0.446 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.706 0.849 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.769 0.520 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.163 2.114 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.648 2.297 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.894 3.723 -0.522 1.00 0.00 H new ATOM 1396 N LYS A 93 -12.879 5.346 -1.042 1.00 0.00 N ATOM 1397 CA LYS A 93 -14.131 5.940 -1.477 1.00 0.00 C ATOM 1398 C LYS A 93 -15.179 4.839 -1.657 1.00 0.00 C ATOM 1399 O LYS A 93 -14.875 3.658 -1.499 1.00 0.00 O ATOM 1400 CB LYS A 93 -13.914 6.792 -2.729 1.00 0.00 C ATOM 1401 CG LYS A 93 -13.030 8.003 -2.422 1.00 0.00 C ATOM 1402 CD LYS A 93 -12.295 8.478 -3.677 1.00 0.00 C ATOM 1403 CE LYS A 93 -11.188 9.472 -3.320 1.00 0.00 C ATOM 1404 NZ LYS A 93 -9.948 9.155 -4.063 1.00 0.00 N ATOM 0 H LYS A 93 -12.326 4.922 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.512 6.622 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -13.451 6.187 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.876 7.128 -3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -13.642 8.813 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -12.307 7.743 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.866 7.622 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -13.002 8.946 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -11.511 10.486 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -10.995 9.441 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.356 10.007 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -9.425 8.408 -3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.191 8.827 -5.020 1.00 0.00 H new ATOM 1418 N SER A 94 -16.389 5.266 -1.984 1.00 0.00 N ATOM 1419 CA SER A 94 -17.483 4.331 -2.187 1.00 0.00 C ATOM 1420 C SER A 94 -16.951 3.022 -2.773 1.00 0.00 C ATOM 1421 O SER A 94 -16.533 2.980 -3.929 1.00 0.00 O ATOM 1422 CB SER A 94 -18.554 4.927 -3.103 1.00 0.00 C ATOM 1423 OG SER A 94 -18.154 4.912 -4.471 1.00 0.00 O ATOM 0 H SER A 94 -16.637 6.247 -2.114 1.00 0.00 H new ATOM 0 HA SER A 94 -17.943 4.128 -1.220 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.481 4.365 -2.990 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.763 5.952 -2.797 1.00 0.00 H new ATOM 0 HG SER A 94 -17.284 4.469 -4.553 1.00 0.00 H new ATOM 1429 N PRO A 95 -16.984 1.958 -1.927 1.00 0.00 N ATOM 1430 CA PRO A 95 -17.495 2.094 -0.573 1.00 0.00 C ATOM 1431 C PRO A 95 -16.489 2.819 0.323 1.00 0.00 C ATOM 1432 O PRO A 95 -15.350 2.377 0.467 1.00 0.00 O ATOM 1433 CB PRO A 95 -17.781 0.673 -0.116 1.00 0.00 C ATOM 1434 CG PRO A 95 -16.990 -0.232 -1.047 1.00 0.00 C ATOM 1435 CD PRO A 95 -16.538 0.603 -2.235 1.00 0.00 C ATOM 0 HA PRO A 95 -18.397 2.704 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -17.477 0.528 0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.847 0.453 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -16.130 -0.655 -0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.605 -1.068 -1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.456 0.561 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.980 0.242 -3.164 1.00 0.00 H new ATOM 1443 N VAL A 96 -16.945 3.920 0.901 1.00 0.00 N ATOM 1444 CA VAL A 96 -16.099 4.710 1.779 1.00 0.00 C ATOM 1445 C VAL A 96 -15.692 3.863 2.986 1.00 0.00 C ATOM 1446 O VAL A 96 -16.542 3.267 3.645 1.00 0.00 O ATOM 1447 CB VAL A 96 -16.815 6.004 2.170 1.00 0.00 C ATOM 1448 CG1 VAL A 96 -16.161 6.644 3.397 1.00 0.00 C ATOM 1449 CG2 VAL A 96 -16.857 6.985 0.997 1.00 0.00 C ATOM 0 H VAL A 96 -17.890 4.284 0.778 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.184 5.004 1.265 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.843 5.751 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -16.689 7.562 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.208 5.951 4.237 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.119 6.875 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -17.372 7.896 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.840 7.228 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -17.390 6.531 0.162 1.00 0.00 H new ATOM 1459 N GLN A 97 -14.392 3.837 3.239 1.00 0.00 N ATOM 1460 CA GLN A 97 -13.862 3.073 4.356 1.00 0.00 C ATOM 1461 C GLN A 97 -12.439 3.531 4.684 1.00 0.00 C ATOM 1462 O GLN A 97 -11.759 4.110 3.839 1.00 0.00 O ATOM 1463 CB GLN A 97 -13.901 1.573 4.061 1.00 0.00 C ATOM 1464 CG GLN A 97 -13.205 0.778 5.168 1.00 0.00 C ATOM 1465 CD GLN A 97 -13.391 -0.727 4.962 1.00 0.00 C ATOM 1466 OE1 GLN A 97 -14.479 -1.215 4.705 1.00 0.00 O ATOM 1467 NE2 GLN A 97 -12.270 -1.432 5.088 1.00 0.00 N ATOM 0 H GLN A 97 -13.690 4.333 2.690 1.00 0.00 H new ATOM 0 HA GLN A 97 -14.491 3.255 5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.936 1.244 3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.416 1.374 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.142 1.018 5.180 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.608 1.069 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.392 -0.960 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.288 -2.445 4.968 1.00 0.00 H new ATOM 1476 N PHE A 98 -12.031 3.252 5.914 1.00 0.00 N ATOM 1477 CA PHE A 98 -10.702 3.628 6.364 1.00 0.00 C ATOM 1478 C PHE A 98 -10.017 2.463 7.082 1.00 0.00 C ATOM 1479 O PHE A 98 -10.683 1.553 7.572 1.00 0.00 O ATOM 1480 CB PHE A 98 -10.874 4.787 7.348 1.00 0.00 C ATOM 1481 CG PHE A 98 -11.295 6.103 6.691 1.00 0.00 C ATOM 1482 CD1 PHE A 98 -12.579 6.275 6.275 1.00 0.00 C ATOM 1483 CD2 PHE A 98 -10.386 7.101 6.523 1.00 0.00 C ATOM 1484 CE1 PHE A 98 -12.970 7.497 5.666 1.00 0.00 C ATOM 1485 CE2 PHE A 98 -10.777 8.322 5.913 1.00 0.00 C ATOM 1486 CZ PHE A 98 -12.061 8.495 5.498 1.00 0.00 C ATOM 0 H PHE A 98 -12.598 2.770 6.612 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.085 3.907 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.620 4.510 8.093 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.935 4.942 7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.301 5.483 6.408 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.367 6.965 6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -13.989 7.634 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -10.055 9.114 5.778 1.00 0.00 H new ATOM 0 HZ PHE A 98 -12.359 9.424 5.035 1.00 0.00 H new ATOM 1496 N ILE A 99 -8.694 2.530 7.121 1.00 0.00 N ATOM 1497 CA ILE A 99 -7.911 1.492 7.770 1.00 0.00 C ATOM 1498 C ILE A 99 -7.000 2.129 8.822 1.00 0.00 C ATOM 1499 O ILE A 99 -6.800 3.343 8.821 1.00 0.00 O ATOM 1500 CB ILE A 99 -7.161 0.658 6.731 1.00 0.00 C ATOM 1501 CG1 ILE A 99 -8.130 -0.192 5.906 1.00 0.00 C ATOM 1502 CG2 ILE A 99 -6.073 -0.192 7.391 1.00 0.00 C ATOM 1503 CD1 ILE A 99 -8.738 0.624 4.763 1.00 0.00 C ATOM 0 H ILE A 99 -8.145 3.287 6.714 1.00 0.00 H new ATOM 0 HA ILE A 99 -8.564 0.794 8.294 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.663 1.340 6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.606 -1.058 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.924 -0.572 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.555 -0.775 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -5.360 0.459 7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.528 -0.866 8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.423 -0.003 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.282 1.475 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.943 0.982 4.109 1.00 0.00 H new ATOM 1515 N GLN A 100 -6.473 1.282 9.693 1.00 0.00 N ATOM 1516 CA GLN A 100 -5.588 1.747 10.747 1.00 0.00 C ATOM 1517 C GLN A 100 -4.254 0.999 10.689 1.00 0.00 C ATOM 1518 O GLN A 100 -4.028 0.067 11.459 1.00 0.00 O ATOM 1519 CB GLN A 100 -6.244 1.593 12.121 1.00 0.00 C ATOM 1520 CG GLN A 100 -7.764 1.729 12.021 1.00 0.00 C ATOM 1521 CD GLN A 100 -8.394 1.871 13.408 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -7.825 2.445 14.321 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -9.599 1.317 13.514 1.00 0.00 N ATOM 0 H GLN A 100 -6.642 0.276 9.691 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.394 2.808 10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.989 0.621 12.543 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.852 2.348 12.802 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.016 2.598 11.413 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.178 0.856 11.517 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.019 0.851 12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.103 1.358 14.400 1.00 0.00 H new ATOM 1532 N GLY A 101 -3.407 1.435 9.769 1.00 0.00 N ATOM 1533 CA GLY A 101 -2.102 0.819 9.601 1.00 0.00 C ATOM 1534 C GLY A 101 -1.014 1.639 10.297 1.00 0.00 C ATOM 1535 O GLY A 101 -1.088 2.866 10.338 1.00 0.00 O ATOM 0 H GLY A 101 -3.599 2.208 9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.118 -0.191 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.872 0.730 8.539 1.00 0.00 H new ATOM 1539 N GLU A 102 -0.030 0.928 10.827 1.00 0.00 N ATOM 1540 CA GLU A 102 1.072 1.575 11.519 1.00 0.00 C ATOM 1541 C GLU A 102 2.358 1.456 10.698 1.00 0.00 C ATOM 1542 O GLU A 102 2.401 0.727 9.709 1.00 0.00 O ATOM 1543 CB GLU A 102 1.259 0.988 12.920 1.00 0.00 C ATOM 1544 CG GLU A 102 -0.022 1.121 13.746 1.00 0.00 C ATOM 1545 CD GLU A 102 -0.467 2.582 13.836 1.00 0.00 C ATOM 1546 OE1 GLU A 102 0.259 3.357 14.497 1.00 0.00 O ATOM 1547 OE2 GLU A 102 -1.522 2.891 13.243 1.00 0.00 O ATOM 0 H GLU A 102 0.027 -0.090 10.791 1.00 0.00 H new ATOM 0 HA GLU A 102 0.834 2.633 11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.539 -0.063 12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.077 1.500 13.426 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.814 0.523 13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 102 0.144 0.725 14.748 1.00 0.00 H new ATOM 1554 N ILE A 103 3.373 2.183 11.140 1.00 0.00 N ATOM 1555 CA ILE A 103 4.657 2.168 10.459 1.00 0.00 C ATOM 1556 C ILE A 103 5.766 1.895 11.476 1.00 0.00 C ATOM 1557 O ILE A 103 6.049 2.732 12.332 1.00 0.00 O ATOM 1558 CB ILE A 103 4.856 3.460 9.663 1.00 0.00 C ATOM 1559 CG1 ILE A 103 3.825 3.575 8.538 1.00 0.00 C ATOM 1560 CG2 ILE A 103 6.290 3.566 9.140 1.00 0.00 C ATOM 1561 CD1 ILE A 103 4.222 4.667 7.542 1.00 0.00 C ATOM 0 H ILE A 103 3.333 2.786 11.961 1.00 0.00 H new ATOM 0 HA ILE A 103 4.691 1.361 9.727 1.00 0.00 H new ATOM 0 HB ILE A 103 4.695 4.304 10.334 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.738 2.620 8.020 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.845 3.800 8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.405 4.493 8.578 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.985 3.563 9.980 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.503 2.718 8.489 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.473 4.729 6.752 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.285 5.625 8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.191 4.426 7.105 1.00 0.00 H new ATOM 1573 N GLN A 104 6.365 0.720 11.349 1.00 0.00 N ATOM 1574 CA GLN A 104 7.438 0.326 12.247 1.00 0.00 C ATOM 1575 C GLN A 104 8.717 1.097 11.917 1.00 0.00 C ATOM 1576 O GLN A 104 9.083 1.228 10.750 1.00 0.00 O ATOM 1577 CB GLN A 104 7.677 -1.184 12.186 1.00 0.00 C ATOM 1578 CG GLN A 104 6.390 -1.956 12.487 1.00 0.00 C ATOM 1579 CD GLN A 104 6.571 -3.450 12.214 1.00 0.00 C ATOM 1580 OE1 GLN A 104 7.502 -3.879 11.551 1.00 0.00 O ATOM 1581 NE2 GLN A 104 5.632 -4.217 12.760 1.00 0.00 N ATOM 0 H GLN A 104 6.128 0.028 10.638 1.00 0.00 H new ATOM 0 HA GLN A 104 7.141 0.573 13.266 1.00 0.00 H new ATOM 0 HB2 GLN A 104 8.047 -1.458 11.198 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.449 -1.463 12.903 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.106 -1.805 13.528 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.576 -1.567 11.875 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.880 -3.793 13.303 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.664 -5.229 12.635 1.00 0.00 H new ATOM 1590 N LEU A 105 9.361 1.589 12.965 1.00 0.00 N ATOM 1591 CA LEU A 105 10.591 2.344 12.801 1.00 0.00 C ATOM 1592 C LEU A 105 11.759 1.373 12.611 1.00 0.00 C ATOM 1593 O LEU A 105 11.963 0.474 13.425 1.00 0.00 O ATOM 1594 CB LEU A 105 10.783 3.315 13.967 1.00 0.00 C ATOM 1595 CG LEU A 105 12.232 3.631 14.346 1.00 0.00 C ATOM 1596 CD1 LEU A 105 12.871 4.577 13.328 1.00 0.00 C ATOM 1597 CD2 LEU A 105 12.319 4.179 15.772 1.00 0.00 C ATOM 0 H LEU A 105 9.054 1.479 13.931 1.00 0.00 H new ATOM 0 HA LEU A 105 10.541 2.963 11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.280 4.250 13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.281 2.904 14.843 1.00 0.00 H new ATOM 0 HG LEU A 105 12.801 2.702 14.323 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.900 4.785 13.621 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.861 4.111 12.343 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.308 5.509 13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.359 4.395 16.016 1.00 0.00 H new ATOM 0 HD22 LEU A 105 11.731 5.094 15.847 1.00 0.00 H new ATOM 0 HD23 LEU A 105 11.929 3.439 16.471 1.00 0.00 H new ATOM 1609 N GLN A 106 12.495 1.588 11.530 1.00 0.00 N ATOM 1610 CA GLN A 106 13.637 0.744 11.222 1.00 0.00 C ATOM 1611 C GLN A 106 14.672 0.821 12.346 1.00 0.00 C ATOM 1612 O GLN A 106 15.172 1.900 12.660 1.00 0.00 O ATOM 1613 CB GLN A 106 14.256 1.129 9.877 1.00 0.00 C ATOM 1614 CG GLN A 106 14.210 -0.045 8.897 1.00 0.00 C ATOM 1615 CD GLN A 106 15.229 -1.120 9.280 1.00 0.00 C ATOM 1616 OE1 GLN A 106 14.985 -1.973 10.118 1.00 0.00 O ATOM 1617 NE2 GLN A 106 16.382 -1.032 8.622 1.00 0.00 N ATOM 0 H GLN A 106 12.323 2.335 10.857 1.00 0.00 H new ATOM 0 HA GLN A 106 13.292 -0.287 11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 106 13.720 1.980 9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.289 1.444 10.025 1.00 0.00 H new ATOM 0 HG2 GLN A 106 13.209 -0.475 8.887 1.00 0.00 H new ATOM 0 HG3 GLN A 106 14.414 0.311 7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 106 16.521 -0.293 7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 106 17.127 -1.704 8.807 1.00 0.00 H new ATOM 1626 N ASP A 107 14.964 -0.337 12.920 1.00 0.00 N ATOM 1627 CA ASP A 107 15.931 -0.413 14.001 1.00 0.00 C ATOM 1628 C ASP A 107 17.165 -1.181 13.523 1.00 0.00 C ATOM 1629 O ASP A 107 17.044 -2.164 12.793 1.00 0.00 O ATOM 1630 CB ASP A 107 15.351 -1.155 15.207 1.00 0.00 C ATOM 1631 CG ASP A 107 16.095 -0.927 16.525 1.00 0.00 C ATOM 1632 OD1 ASP A 107 16.203 0.254 16.919 1.00 0.00 O ATOM 1633 OD2 ASP A 107 16.538 -1.940 17.108 1.00 0.00 O ATOM 0 H ASP A 107 14.548 -1.230 12.656 1.00 0.00 H new ATOM 0 HA ASP A 107 16.190 0.604 14.293 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.312 -0.851 15.336 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.346 -2.223 14.990 1.00 0.00 H new ATOM 1638 N VAL A 108 18.323 -0.704 13.954 1.00 0.00 N ATOM 1639 CA VAL A 108 19.578 -1.333 13.578 1.00 0.00 C ATOM 1640 C VAL A 108 19.425 -2.854 13.657 1.00 0.00 C ATOM 1641 O VAL A 108 18.721 -3.366 14.527 1.00 0.00 O ATOM 1642 CB VAL A 108 20.713 -0.801 14.455 1.00 0.00 C ATOM 1643 CG1 VAL A 108 20.771 -1.545 15.790 1.00 0.00 C ATOM 1644 CG2 VAL A 108 22.055 -0.882 13.724 1.00 0.00 C ATOM 0 H VAL A 108 18.419 0.111 14.560 1.00 0.00 H new ATOM 0 HA VAL A 108 19.836 -1.085 12.549 1.00 0.00 H new ATOM 0 HB VAL A 108 20.508 0.249 14.666 1.00 0.00 H new ATOM 0 HG11 VAL A 108 21.587 -1.147 16.393 1.00 0.00 H new ATOM 0 HG12 VAL A 108 19.829 -1.413 16.321 1.00 0.00 H new ATOM 0 HG13 VAL A 108 20.939 -2.606 15.608 1.00 0.00 H new ATOM 0 HG21 VAL A 108 22.845 -0.498 14.370 1.00 0.00 H new ATOM 0 HG22 VAL A 108 22.268 -1.920 13.469 1.00 0.00 H new ATOM 0 HG23 VAL A 108 22.009 -0.286 12.812 1.00 0.00 H new ATOM 1654 N ASN A 109 20.095 -3.532 12.738 1.00 0.00 N ATOM 1655 CA ASN A 109 20.042 -4.984 12.692 1.00 0.00 C ATOM 1656 C ASN A 109 21.130 -5.500 11.750 1.00 0.00 C ATOM 1657 O ASN A 109 20.966 -5.472 10.531 1.00 0.00 O ATOM 1658 CB ASN A 109 18.690 -5.469 12.165 1.00 0.00 C ATOM 1659 CG ASN A 109 18.604 -6.997 12.202 1.00 0.00 C ATOM 1660 OD1 ASN A 109 18.737 -7.627 13.238 1.00 0.00 O ATOM 1661 ND2 ASN A 109 18.374 -7.554 11.016 1.00 0.00 N ATOM 0 H ASN A 109 20.678 -3.103 12.019 1.00 0.00 H new ATOM 0 HA ASN A 109 20.190 -5.359 13.705 1.00 0.00 H new ATOM 0 HB2 ASN A 109 17.887 -5.041 12.765 1.00 0.00 H new ATOM 0 HB3 ASN A 109 18.546 -5.118 11.143 1.00 0.00 H new ATOM 0 HD21 ASN A 109 18.299 -8.568 10.935 1.00 0.00 H new ATOM 0 HD22 ASN A 109 18.273 -6.967 10.188 1.00 0.00 H new ATOM 1668 N ASP A 110 22.218 -5.961 12.349 1.00 0.00 N ATOM 1669 CA ASP A 110 23.334 -6.483 11.578 1.00 0.00 C ATOM 1670 C ASP A 110 24.418 -6.985 12.534 1.00 0.00 C ATOM 1671 O ASP A 110 24.803 -6.281 13.466 1.00 0.00 O ATOM 1672 CB ASP A 110 23.948 -5.397 10.694 1.00 0.00 C ATOM 1673 CG ASP A 110 24.458 -4.164 11.443 1.00 0.00 C ATOM 1674 OD1 ASP A 110 23.944 -3.925 12.557 1.00 0.00 O ATOM 1675 OD2 ASP A 110 25.349 -3.488 10.885 1.00 0.00 O ATOM 0 H ASP A 110 22.351 -5.984 13.360 1.00 0.00 H new ATOM 0 HA ASP A 110 22.961 -7.291 10.949 1.00 0.00 H new ATOM 0 HB2 ASP A 110 24.776 -5.831 10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 110 23.202 -5.078 9.966 1.00 0.00 H new ATOM 1680 N HIS A 111 24.882 -8.197 12.268 1.00 0.00 N ATOM 1681 CA HIS A 111 25.914 -8.801 13.093 1.00 0.00 C ATOM 1682 C HIS A 111 26.250 -10.194 12.557 1.00 0.00 C ATOM 1683 O HIS A 111 25.395 -11.079 12.539 1.00 0.00 O ATOM 1684 CB HIS A 111 25.495 -8.817 14.564 1.00 0.00 C ATOM 1685 CG HIS A 111 26.191 -7.780 15.412 1.00 0.00 C ATOM 1686 ND1 HIS A 111 25.754 -7.430 16.678 1.00 0.00 N ATOM 1687 CD2 HIS A 111 27.298 -7.022 15.164 1.00 0.00 C ATOM 1688 CE1 HIS A 111 26.568 -6.502 17.160 1.00 0.00 C ATOM 1689 NE2 HIS A 111 27.524 -6.250 16.220 1.00 0.00 N ATOM 0 H HIS A 111 24.562 -8.777 11.492 1.00 0.00 H new ATOM 0 HA HIS A 111 26.822 -8.201 13.041 1.00 0.00 H new ATOM 0 HB2 HIS A 111 24.418 -8.659 14.626 1.00 0.00 H new ATOM 0 HB3 HIS A 111 25.697 -9.805 14.978 1.00 0.00 H new ATOM 0 HD2 HIS A 111 27.890 -7.046 14.261 1.00 0.00 H new ATOM 0 HE1 HIS A 111 26.489 -6.028 18.127 1.00 0.00 H new ATOM 0 HE2 HIS A 111 28.287 -5.579 16.313 1.00 0.00 H new ATOM 1697 N ALA A 112 27.496 -10.346 12.134 1.00 0.00 N ATOM 1698 CA ALA A 112 27.955 -11.617 11.599 1.00 0.00 C ATOM 1699 C ALA A 112 29.474 -11.573 11.424 1.00 0.00 C ATOM 1700 O ALA A 112 29.987 -10.805 10.611 1.00 0.00 O ATOM 1701 CB ALA A 112 27.225 -11.912 10.287 1.00 0.00 C ATOM 0 H ALA A 112 28.202 -9.610 12.151 1.00 0.00 H new ATOM 0 HA ALA A 112 27.726 -12.429 12.289 1.00 0.00 H new ATOM 0 HB1 ALA A 112 27.569 -12.865 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 112 26.152 -11.962 10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 112 27.433 -11.119 9.568 1.00 0.00 H new ATOM 1707 N PRO A 113 30.170 -12.428 12.220 1.00 0.00 N ATOM 1708 CA PRO A 113 31.620 -12.494 12.162 1.00 0.00 C ATOM 1709 C PRO A 113 32.085 -13.232 10.905 1.00 0.00 C ATOM 1710 O PRO A 113 31.537 -14.277 10.556 1.00 0.00 O ATOM 1711 CB PRO A 113 32.034 -13.191 13.447 1.00 0.00 C ATOM 1712 CG PRO A 113 30.791 -13.902 13.956 1.00 0.00 C ATOM 1713 CD PRO A 113 29.596 -13.352 13.195 1.00 0.00 C ATOM 0 HA PRO A 113 32.083 -11.510 12.092 1.00 0.00 H new ATOM 0 HB2 PRO A 113 32.842 -13.900 13.264 1.00 0.00 H new ATOM 0 HB3 PRO A 113 32.401 -12.473 14.180 1.00 0.00 H new ATOM 0 HG2 PRO A 113 30.878 -14.978 13.805 1.00 0.00 H new ATOM 0 HG3 PRO A 113 30.670 -13.739 15.027 1.00 0.00 H new ATOM 0 HD2 PRO A 113 29.038 -14.149 12.704 1.00 0.00 H new ATOM 0 HD3 PRO A 113 28.902 -12.842 13.863 1.00 0.00 H new ATOM 1721 N GLU A 114 33.090 -12.660 10.259 1.00 0.00 N ATOM 1722 CA GLU A 114 33.635 -13.251 9.048 1.00 0.00 C ATOM 1723 C GLU A 114 34.985 -13.909 9.340 1.00 0.00 C ATOM 1724 O GLU A 114 35.925 -13.242 9.771 1.00 0.00 O ATOM 1725 CB GLU A 114 33.762 -12.206 7.938 1.00 0.00 C ATOM 1726 CG GLU A 114 34.415 -12.807 6.692 1.00 0.00 C ATOM 1727 CD GLU A 114 33.397 -12.964 5.561 1.00 0.00 C ATOM 1728 OE1 GLU A 114 32.476 -13.791 5.737 1.00 0.00 O ATOM 1729 OE2 GLU A 114 33.562 -12.254 4.545 1.00 0.00 O ATOM 0 H GLU A 114 33.542 -11.793 10.551 1.00 0.00 H new ATOM 0 HA GLU A 114 32.946 -14.021 8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 114 32.776 -11.818 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 114 34.355 -11.363 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 114 35.234 -12.168 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 114 34.846 -13.778 6.935 1.00 0.00 H new ATOM 1736 N PHE A 115 35.039 -15.209 9.093 1.00 0.00 N ATOM 1737 CA PHE A 115 36.259 -15.965 9.323 1.00 0.00 C ATOM 1738 C PHE A 115 36.100 -17.415 8.864 1.00 0.00 C ATOM 1739 O PHE A 115 35.537 -18.240 9.582 1.00 0.00 O ATOM 1740 CB PHE A 115 36.519 -15.945 10.831 1.00 0.00 C ATOM 1741 CG PHE A 115 37.769 -15.162 11.236 1.00 0.00 C ATOM 1742 CD1 PHE A 115 38.984 -15.514 10.736 1.00 0.00 C ATOM 1743 CD2 PHE A 115 37.666 -14.114 12.097 1.00 0.00 C ATOM 1744 CE1 PHE A 115 40.144 -14.787 11.113 1.00 0.00 C ATOM 1745 CE2 PHE A 115 38.826 -13.387 12.473 1.00 0.00 C ATOM 1746 CZ PHE A 115 40.041 -13.740 11.973 1.00 0.00 C ATOM 0 H PHE A 115 34.258 -15.759 8.736 1.00 0.00 H new ATOM 0 HA PHE A 115 37.082 -15.523 8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 115 35.653 -15.513 11.333 1.00 0.00 H new ATOM 0 HB3 PHE A 115 36.614 -16.971 11.187 1.00 0.00 H new ATOM 0 HD1 PHE A 115 39.066 -16.346 10.053 1.00 0.00 H new ATOM 0 HD2 PHE A 115 36.701 -13.835 12.495 1.00 0.00 H new ATOM 0 HE1 PHE A 115 41.109 -15.066 10.716 1.00 0.00 H new ATOM 0 HE2 PHE A 115 38.744 -12.554 13.156 1.00 0.00 H new ATOM 0 HZ PHE A 115 40.924 -13.188 12.260 1.00 0.00 H new ATOM 1756 N MET A 116 36.607 -17.683 7.669 1.00 0.00 N ATOM 1757 CA MET A 116 36.528 -19.020 7.106 1.00 0.00 C ATOM 1758 C MET A 116 37.806 -19.812 7.393 1.00 0.00 C ATOM 1759 O MET A 116 38.864 -19.511 6.843 1.00 0.00 O ATOM 1760 CB MET A 116 36.315 -18.925 5.594 1.00 0.00 C ATOM 1761 CG MET A 116 34.867 -19.250 5.222 1.00 0.00 C ATOM 1762 SD MET A 116 34.620 -21.018 5.216 1.00 0.00 S ATOM 1763 CE MET A 116 33.182 -21.126 4.165 1.00 0.00 C ATOM 0 H MET A 116 37.074 -16.997 7.076 1.00 0.00 H new ATOM 0 HA MET A 116 35.689 -19.540 7.568 1.00 0.00 H new ATOM 0 HB2 MET A 116 36.566 -17.921 5.250 1.00 0.00 H new ATOM 0 HB3 MET A 116 36.988 -19.614 5.084 1.00 0.00 H new ATOM 0 HG2 MET A 116 34.186 -18.782 5.933 1.00 0.00 H new ATOM 0 HG3 MET A 116 34.634 -18.839 4.240 1.00 0.00 H new ATOM 0 HE1 MET A 116 32.890 -22.170 4.054 1.00 0.00 H new ATOM 0 HE2 MET A 116 32.361 -20.566 4.613 1.00 0.00 H new ATOM 0 HE3 MET A 116 33.415 -20.708 3.186 1.00 0.00 H new ATOM 1773 N GLU A 117 37.665 -20.809 8.254 1.00 0.00 N ATOM 1774 CA GLU A 117 38.794 -21.646 8.621 1.00 0.00 C ATOM 1775 C GLU A 117 38.364 -22.700 9.642 1.00 0.00 C ATOM 1776 O GLU A 117 37.267 -22.624 10.194 1.00 0.00 O ATOM 1777 CB GLU A 117 39.951 -20.802 9.158 1.00 0.00 C ATOM 1778 CG GLU A 117 41.300 -21.386 8.733 1.00 0.00 C ATOM 1779 CD GLU A 117 41.998 -22.067 9.912 1.00 0.00 C ATOM 1780 OE1 GLU A 117 41.863 -21.536 11.036 1.00 0.00 O ATOM 1781 OE2 GLU A 117 42.652 -23.103 9.663 1.00 0.00 O ATOM 0 H GLU A 117 36.786 -21.056 8.708 1.00 0.00 H new ATOM 0 HA GLU A 117 39.147 -22.159 7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 117 39.861 -19.780 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 117 39.897 -20.755 10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 117 41.151 -22.106 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 117 41.935 -20.593 8.338 1.00 0.00 H new ATOM 1788 N ASP A 118 39.250 -23.660 9.864 1.00 0.00 N ATOM 1789 CA ASP A 118 38.975 -24.728 10.810 1.00 0.00 C ATOM 1790 C ASP A 118 39.023 -24.168 12.233 1.00 0.00 C ATOM 1791 O ASP A 118 39.320 -22.991 12.431 1.00 0.00 O ATOM 1792 CB ASP A 118 40.021 -25.840 10.704 1.00 0.00 C ATOM 1793 CG ASP A 118 39.597 -27.185 11.299 1.00 0.00 C ATOM 1794 OD1 ASP A 118 38.843 -27.900 10.605 1.00 0.00 O ATOM 1795 OD2 ASP A 118 40.038 -27.467 12.434 1.00 0.00 O ATOM 0 H ASP A 118 40.159 -23.720 9.405 1.00 0.00 H new ATOM 0 HA ASP A 118 37.990 -25.136 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 118 40.268 -25.987 9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 118 40.932 -25.510 11.203 1.00 0.00 H new ATOM 1800 N GLU A 119 38.727 -25.038 13.188 1.00 0.00 N ATOM 1801 CA GLU A 119 38.733 -24.645 14.587 1.00 0.00 C ATOM 1802 C GLU A 119 39.237 -25.797 15.459 1.00 0.00 C ATOM 1803 O GLU A 119 39.315 -26.937 15.005 1.00 0.00 O ATOM 1804 CB GLU A 119 37.343 -24.187 15.033 1.00 0.00 C ATOM 1805 CG GLU A 119 37.018 -22.800 14.474 1.00 0.00 C ATOM 1806 CD GLU A 119 35.950 -22.104 15.322 1.00 0.00 C ATOM 1807 OE1 GLU A 119 36.347 -21.458 16.315 1.00 0.00 O ATOM 1808 OE2 GLU A 119 34.762 -22.235 14.957 1.00 0.00 O ATOM 0 H GLU A 119 38.481 -26.014 13.020 1.00 0.00 H new ATOM 0 HA GLU A 119 39.413 -23.801 14.705 1.00 0.00 H new ATOM 0 HB2 GLU A 119 36.594 -24.904 14.696 1.00 0.00 H new ATOM 0 HB3 GLU A 119 37.295 -24.165 16.122 1.00 0.00 H new ATOM 0 HG2 GLU A 119 37.922 -22.192 14.451 1.00 0.00 H new ATOM 0 HG3 GLU A 119 36.669 -22.891 13.445 1.00 0.00 H new ATOM 1815 N SER A 120 39.566 -25.458 16.697 1.00 0.00 N ATOM 1816 CA SER A 120 40.061 -26.449 17.638 1.00 0.00 C ATOM 1817 C SER A 120 38.892 -27.071 18.405 1.00 0.00 C ATOM 1818 O SER A 120 37.960 -26.371 18.797 1.00 0.00 O ATOM 1819 CB SER A 120 41.067 -25.832 18.611 1.00 0.00 C ATOM 1820 OG SER A 120 40.471 -24.828 19.428 1.00 0.00 O ATOM 0 H SER A 120 39.500 -24.511 17.070 1.00 0.00 H new ATOM 0 HA SER A 120 40.574 -27.229 17.075 1.00 0.00 H new ATOM 0 HB2 SER A 120 41.485 -26.614 19.245 1.00 0.00 H new ATOM 0 HB3 SER A 120 41.895 -25.399 18.050 1.00 0.00 H new ATOM 0 HG SER A 120 41.145 -24.459 20.037 1.00 0.00 H new ATOM 1826 N GLY A 121 38.981 -28.379 18.598 1.00 0.00 N ATOM 1827 CA GLY A 121 37.943 -29.102 19.312 1.00 0.00 C ATOM 1828 C GLY A 121 38.119 -28.962 20.825 1.00 0.00 C ATOM 1829 O GLY A 121 39.243 -28.888 21.319 1.00 0.00 O ATOM 0 H GLY A 121 39.756 -28.956 18.272 1.00 0.00 H new ATOM 0 HA2 GLY A 121 36.964 -28.723 19.020 1.00 0.00 H new ATOM 0 HA3 GLY A 121 37.972 -30.156 19.035 1.00 0.00 H new ATOM 1833 N PRO A 122 36.961 -28.930 21.538 1.00 0.00 N ATOM 1834 CA PRO A 122 36.977 -28.800 22.985 1.00 0.00 C ATOM 1835 C PRO A 122 37.389 -30.115 23.649 1.00 0.00 C ATOM 1836 O PRO A 122 37.733 -31.079 22.966 1.00 0.00 O ATOM 1837 CB PRO A 122 35.569 -28.363 23.356 1.00 0.00 C ATOM 1838 CG PRO A 122 34.696 -28.712 22.162 1.00 0.00 C ATOM 1839 CD PRO A 122 35.612 -29.015 20.987 1.00 0.00 C ATOM 0 HA PRO A 122 37.711 -28.073 23.334 1.00 0.00 H new ATOM 0 HB2 PRO A 122 35.225 -28.876 24.254 1.00 0.00 H new ATOM 0 HB3 PRO A 122 35.534 -27.294 23.566 1.00 0.00 H new ATOM 0 HG2 PRO A 122 34.067 -29.573 22.388 1.00 0.00 H new ATOM 0 HG3 PRO A 122 34.029 -27.884 21.922 1.00 0.00 H new ATOM 0 HD2 PRO A 122 35.414 -30.005 20.575 1.00 0.00 H new ATOM 0 HD3 PRO A 122 35.469 -28.299 20.178 1.00 0.00 H new ATOM 1847 N SER A 123 37.341 -30.113 24.973 1.00 0.00 N ATOM 1848 CA SER A 123 37.705 -31.295 25.737 1.00 0.00 C ATOM 1849 C SER A 123 36.775 -31.445 26.943 1.00 0.00 C ATOM 1850 O SER A 123 36.589 -30.502 27.710 1.00 0.00 O ATOM 1851 CB SER A 123 39.162 -31.226 26.196 1.00 0.00 C ATOM 1852 OG SER A 123 39.339 -30.317 27.280 1.00 0.00 O ATOM 0 H SER A 123 37.056 -29.312 25.536 1.00 0.00 H new ATOM 0 HA SER A 123 37.596 -32.167 25.092 1.00 0.00 H new ATOM 0 HB2 SER A 123 39.494 -32.219 26.498 1.00 0.00 H new ATOM 0 HB3 SER A 123 39.791 -30.920 25.360 1.00 0.00 H new ATOM 0 HG SER A 123 40.282 -30.303 27.545 1.00 0.00 H new ATOM 1858 N SER A 124 36.215 -32.639 27.073 1.00 0.00 N ATOM 1859 CA SER A 124 35.309 -32.925 28.172 1.00 0.00 C ATOM 1860 C SER A 124 35.432 -34.394 28.582 1.00 0.00 C ATOM 1861 O SER A 124 34.994 -35.284 27.855 1.00 0.00 O ATOM 1862 CB SER A 124 33.863 -32.599 27.793 1.00 0.00 C ATOM 1863 OG SER A 124 32.932 -33.140 28.726 1.00 0.00 O ATOM 0 H SER A 124 36.371 -33.419 26.435 1.00 0.00 H new ATOM 0 HA SER A 124 35.586 -32.294 29.017 1.00 0.00 H new ATOM 0 HB2 SER A 124 33.737 -31.518 27.741 1.00 0.00 H new ATOM 0 HB3 SER A 124 33.651 -32.993 26.799 1.00 0.00 H new ATOM 0 HG SER A 124 32.021 -32.909 28.450 1.00 0.00 H new ATOM 1869 N GLY A 125 36.030 -34.602 29.746 1.00 0.00 N ATOM 1870 CA GLY A 125 36.216 -35.947 30.262 1.00 0.00 C ATOM 1871 C GLY A 125 35.092 -36.324 31.230 1.00 0.00 C ATOM 1872 O GLY A 125 35.353 -36.774 32.345 1.00 0.00 O ATOM 0 H GLY A 125 36.392 -33.861 30.346 1.00 0.00 H new ATOM 0 HA2 GLY A 125 36.242 -36.657 29.435 1.00 0.00 H new ATOM 0 HA3 GLY A 125 37.177 -36.015 30.771 1.00 0.00 H new TER 1876 GLY A 125