USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.084) USER MOD Set 1.2: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 89 TYR OH : rot 180:sc= -4.29! USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 58 THR OG1 : rot 26:sc= -5.45! USER MOD Single : A 4 ASN :FLIP amide:sc= -0.781! C(o=-4.4!,f=-0.78!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -4.01 K(o=-4,f=-7.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 24 THR OG1 : rot -74:sc= 0.818 USER MOD Single : A 29 SER OG : rot -78:sc=-0.00551 USER MOD Single : A 31 SER OG : rot 180:sc=-0.00142 USER MOD Single : A 32 HIS : no HE2:sc= -5.53 K(o=-5.5,f=-6.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 13:sc= -1.24 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00482 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 62 THR OG1 : rot -174:sc= -0.83 USER MOD Single : A 65 THR OG1 : rot 82:sc= -5.95! USER MOD Single : A 69 LYS NZ :NH3+ -133:sc= -0.364 (180deg=-1.58) USER MOD Single : A 70 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0079) USER MOD Single : A 73 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.1!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.525! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.347 K(o=-0.35,f=-3.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0056 X(o=-0.0056,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -9.032 8.027 7.586 1.00 0.00 N ATOM 50 CA ASN A 4 -8.284 7.343 6.544 1.00 0.00 C ATOM 51 C ASN A 4 -8.482 5.833 6.688 1.00 0.00 C ATOM 52 O ASN A 4 -8.863 5.351 7.754 1.00 0.00 O ATOM 53 CB ASN A 4 -6.787 7.636 6.658 1.00 0.00 C ATOM 54 CG ASN A 4 -5.969 6.640 5.834 1.00 0.00 C ATOM 55 OD1 ASN A 4 -5.495 5.616 6.539 1.00 0.00 O flip ATOM 56 ND2 ASN A 4 -5.780 6.791 4.639 1.00 0.00 N flip ATOM 0 HA ASN A 4 -8.648 7.697 5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.584 8.650 6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.482 7.586 7.703 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.173 7.601 4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.229 6.108 4.119 1.00 0.00 H new ATOM 63 N ASP A 5 -8.215 5.127 5.599 1.00 0.00 N ATOM 64 CA ASP A 5 -8.359 3.681 5.590 1.00 0.00 C ATOM 65 C ASP A 5 -6.973 3.034 5.610 1.00 0.00 C ATOM 66 O ASP A 5 -6.732 2.096 6.369 1.00 0.00 O ATOM 67 CB ASP A 5 -9.084 3.207 4.329 1.00 0.00 C ATOM 68 CG ASP A 5 -10.462 3.830 4.102 1.00 0.00 C ATOM 69 OD1 ASP A 5 -10.942 4.633 4.917 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.059 3.456 3.021 1.00 0.00 O ATOM 0 H ASP A 5 -7.900 5.530 4.716 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.938 3.395 6.468 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.457 3.424 3.464 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.195 2.124 4.378 1.00 0.00 H new ATOM 76 N ILE A 6 -6.097 3.562 4.768 1.00 0.00 N ATOM 77 CA ILE A 6 -4.740 3.048 4.680 1.00 0.00 C ATOM 78 C ILE A 6 -3.862 4.063 3.946 1.00 0.00 C ATOM 79 O ILE A 6 -4.346 4.811 3.098 1.00 0.00 O ATOM 80 CB ILE A 6 -4.735 1.656 4.044 1.00 0.00 C ATOM 81 CG1 ILE A 6 -3.307 1.131 3.887 1.00 0.00 C ATOM 82 CG2 ILE A 6 -5.494 1.658 2.715 1.00 0.00 C ATOM 83 CD1 ILE A 6 -3.299 -0.389 3.709 1.00 0.00 C ATOM 0 H ILE A 6 -6.300 4.340 4.141 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.315 2.920 5.676 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.258 0.973 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.834 1.604 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.718 1.401 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.475 0.657 2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.527 1.960 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.021 2.358 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.272 -0.737 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.751 -0.860 4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.869 -0.654 2.818 1.00 0.00 H new ATOM 95 N THR A 7 -2.585 4.057 4.299 1.00 0.00 N ATOM 96 CA THR A 7 -1.634 4.967 3.685 1.00 0.00 C ATOM 97 C THR A 7 -0.605 4.189 2.862 1.00 0.00 C ATOM 98 O THR A 7 -0.494 2.971 2.992 1.00 0.00 O ATOM 99 CB THR A 7 -1.009 5.817 4.793 1.00 0.00 C ATOM 100 OG1 THR A 7 -0.901 4.922 5.897 1.00 0.00 O ATOM 101 CG2 THR A 7 -1.951 6.914 5.293 1.00 0.00 C ATOM 0 H THR A 7 -2.187 3.436 5.003 1.00 0.00 H new ATOM 0 HA THR A 7 -2.127 5.637 2.981 1.00 0.00 H new ATOM 0 HB THR A 7 -0.088 6.270 4.427 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.503 5.391 6.660 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.458 7.487 6.078 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.208 7.577 4.467 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.859 6.461 5.691 1.00 0.00 H new ATOM 109 N PHE A 8 0.122 4.925 2.034 1.00 0.00 N ATOM 110 CA PHE A 8 1.137 4.320 1.190 1.00 0.00 C ATOM 111 C PHE A 8 2.201 5.344 0.791 1.00 0.00 C ATOM 112 O PHE A 8 1.879 6.399 0.246 1.00 0.00 O ATOM 113 CB PHE A 8 0.431 3.818 -0.071 1.00 0.00 C ATOM 114 CG PHE A 8 -0.777 2.921 0.207 1.00 0.00 C ATOM 115 CD1 PHE A 8 -0.598 1.695 0.769 1.00 0.00 C ATOM 116 CD2 PHE A 8 -2.029 3.349 -0.108 1.00 0.00 C ATOM 117 CE1 PHE A 8 -1.719 0.863 1.028 1.00 0.00 C ATOM 118 CE2 PHE A 8 -3.149 2.516 0.151 1.00 0.00 C ATOM 119 CZ PHE A 8 -2.971 1.290 0.713 1.00 0.00 C ATOM 0 H PHE A 8 0.028 5.935 1.930 1.00 0.00 H new ATOM 0 HA PHE A 8 1.633 3.512 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.106 4.676 -0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.147 3.267 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.396 1.355 1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.171 4.322 -0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.577 -0.110 1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.143 2.856 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.823 0.656 0.909 1.00 0.00 H new ATOM 129 N PHE A 9 3.448 4.998 1.077 1.00 0.00 N ATOM 130 CA PHE A 9 4.561 5.875 0.755 1.00 0.00 C ATOM 131 C PHE A 9 4.431 6.426 -0.666 1.00 0.00 C ATOM 132 O PHE A 9 3.551 6.011 -1.419 1.00 0.00 O ATOM 133 CB PHE A 9 5.835 5.032 0.847 1.00 0.00 C ATOM 134 CG PHE A 9 7.051 5.799 1.370 1.00 0.00 C ATOM 135 CD1 PHE A 9 6.907 6.693 2.385 1.00 0.00 C ATOM 136 CD2 PHE A 9 8.276 5.588 0.819 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.036 7.405 2.869 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.405 6.299 1.304 1.00 0.00 C ATOM 139 CZ PHE A 9 9.261 7.193 2.319 1.00 0.00 C ATOM 0 H PHE A 9 3.712 4.122 1.528 1.00 0.00 H new ATOM 0 HA PHE A 9 4.581 6.720 1.444 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.648 4.179 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 9 6.067 4.633 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.934 6.861 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.390 4.879 0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.922 8.115 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.378 6.130 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.120 7.734 2.688 1.00 0.00 H new ATOM 149 N GLN A 10 5.319 7.354 -0.990 1.00 0.00 N ATOM 150 CA GLN A 10 5.315 7.967 -2.308 1.00 0.00 C ATOM 151 C GLN A 10 5.550 6.908 -3.387 1.00 0.00 C ATOM 152 O GLN A 10 4.905 6.931 -4.434 1.00 0.00 O ATOM 153 CB GLN A 10 6.359 9.082 -2.397 1.00 0.00 C ATOM 154 CG GLN A 10 6.548 9.541 -3.844 1.00 0.00 C ATOM 155 CD GLN A 10 6.456 11.064 -3.953 1.00 0.00 C ATOM 156 OE1 GLN A 10 7.415 11.787 -3.740 1.00 0.00 O ATOM 157 NE2 GLN A 10 5.250 11.510 -4.295 1.00 0.00 N ATOM 0 H GLN A 10 6.047 7.697 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 10 4.336 8.416 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.048 9.926 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.309 8.728 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.517 9.204 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.789 9.081 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.490 10.850 -4.459 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.086 12.512 -4.393 1.00 0.00 H new ATOM 166 N ARG A 11 6.474 6.005 -3.093 1.00 0.00 N ATOM 167 CA ARG A 11 6.802 4.940 -4.026 1.00 0.00 C ATOM 168 C ARG A 11 5.526 4.254 -4.517 1.00 0.00 C ATOM 169 O ARG A 11 5.392 3.960 -5.704 1.00 0.00 O ATOM 170 CB ARG A 11 7.713 3.899 -3.374 1.00 0.00 C ATOM 171 CG ARG A 11 9.026 4.533 -2.910 1.00 0.00 C ATOM 172 CD ARG A 11 10.169 3.517 -2.947 1.00 0.00 C ATOM 173 NE ARG A 11 11.248 3.999 -3.838 1.00 0.00 N ATOM 174 CZ ARG A 11 11.288 3.773 -5.168 1.00 0.00 C ATOM 175 NH1 ARG A 11 10.309 3.068 -5.774 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.300 4.252 -5.868 1.00 0.00 N ATOM 0 H ARG A 11 7.006 5.989 -2.223 1.00 0.00 H new ATOM 0 HA ARG A 11 7.326 5.388 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.203 3.446 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.922 3.098 -4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.269 5.383 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.910 4.918 -1.897 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.560 3.360 -1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.799 2.554 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 11 12.009 4.535 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.531 2.701 -5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.348 2.902 -6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.036 4.783 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.346 4.090 -6.874 1.00 0.00 H new ATOM 189 N PHE A 12 4.619 4.018 -3.580 1.00 0.00 N ATOM 190 CA PHE A 12 3.359 3.372 -3.903 1.00 0.00 C ATOM 191 C PHE A 12 2.514 4.250 -4.829 1.00 0.00 C ATOM 192 O PHE A 12 1.832 3.743 -5.719 1.00 0.00 O ATOM 193 CB PHE A 12 2.608 3.172 -2.585 1.00 0.00 C ATOM 194 CG PHE A 12 2.608 1.727 -2.082 1.00 0.00 C ATOM 195 CD1 PHE A 12 2.466 0.701 -2.963 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.749 1.469 -0.754 1.00 0.00 C ATOM 197 CE1 PHE A 12 2.466 -0.640 -2.496 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.749 0.128 -0.287 1.00 0.00 C ATOM 199 CZ PHE A 12 2.607 -0.898 -1.168 1.00 0.00 C ATOM 0 H PHE A 12 4.732 4.263 -2.596 1.00 0.00 H new ATOM 0 HA PHE A 12 3.546 2.427 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.055 3.811 -1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.577 3.502 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.353 0.906 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.861 2.284 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.354 -1.455 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.862 -0.077 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.606 -1.918 -0.813 1.00 0.00 H new ATOM 209 N GLN A 13 2.588 5.551 -4.588 1.00 0.00 N ATOM 210 CA GLN A 13 1.839 6.503 -5.390 1.00 0.00 C ATOM 211 C GLN A 13 2.373 6.527 -6.823 1.00 0.00 C ATOM 212 O GLN A 13 1.599 6.492 -7.778 1.00 0.00 O ATOM 213 CB GLN A 13 1.883 7.899 -4.765 1.00 0.00 C ATOM 214 CG GLN A 13 0.521 8.283 -4.182 1.00 0.00 C ATOM 215 CD GLN A 13 -0.137 9.390 -5.008 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.348 9.792 -6.053 1.00 0.00 O ATOM 217 NE2 GLN A 13 -1.266 9.859 -4.483 1.00 0.00 N ATOM 0 H GLN A 13 3.155 5.968 -3.849 1.00 0.00 H new ATOM 0 HA GLN A 13 0.797 6.185 -5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.639 7.926 -3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.179 8.629 -5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.128 7.408 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.644 8.617 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.617 9.478 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.781 10.600 -4.959 1.00 0.00 H new ATOM 226 N ASP A 14 3.692 6.587 -6.928 1.00 0.00 N ATOM 227 CA ASP A 14 4.339 6.616 -8.229 1.00 0.00 C ATOM 228 C ASP A 14 3.959 5.357 -9.010 1.00 0.00 C ATOM 229 O ASP A 14 3.564 5.438 -10.172 1.00 0.00 O ATOM 230 CB ASP A 14 5.862 6.643 -8.087 1.00 0.00 C ATOM 231 CG ASP A 14 6.637 6.411 -9.385 1.00 0.00 C ATOM 232 OD1 ASP A 14 7.350 5.407 -9.533 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.486 7.327 -10.281 1.00 0.00 O ATOM 0 H ASP A 14 4.331 6.616 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 14 4.010 7.516 -8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.156 7.608 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.158 5.883 -7.364 1.00 0.00 H new ATOM 239 N ASP A 15 4.094 4.221 -8.341 1.00 0.00 N ATOM 240 CA ASP A 15 3.770 2.946 -8.959 1.00 0.00 C ATOM 241 C ASP A 15 2.304 2.954 -9.396 1.00 0.00 C ATOM 242 O ASP A 15 1.966 2.433 -10.458 1.00 0.00 O ATOM 243 CB ASP A 15 3.963 1.792 -7.973 1.00 0.00 C ATOM 244 CG ASP A 15 3.668 0.401 -8.540 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.302 -0.592 -8.154 1.00 0.00 O ATOM 246 OD2 ASP A 15 2.732 0.361 -9.425 1.00 0.00 O ATOM 0 H ASP A 15 4.423 4.157 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 15 4.433 2.806 -9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.991 1.810 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.319 1.960 -7.110 1.00 0.00 H new ATOM 252 N ILE A 16 1.472 3.550 -8.555 1.00 0.00 N ATOM 253 CA ILE A 16 0.049 3.633 -8.842 1.00 0.00 C ATOM 254 C ILE A 16 -0.162 4.444 -10.122 1.00 0.00 C ATOM 255 O ILE A 16 -0.940 4.050 -10.990 1.00 0.00 O ATOM 256 CB ILE A 16 -0.710 4.183 -7.633 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.753 3.156 -6.499 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.109 4.654 -8.032 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.907 3.845 -5.142 1.00 0.00 C ATOM 0 H ILE A 16 1.755 3.980 -7.675 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.362 2.640 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.171 5.054 -7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.583 2.468 -6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.160 2.561 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.627 5.040 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.028 5.442 -8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.671 3.816 -8.445 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.935 3.093 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.063 4.514 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.833 4.419 -5.129 1.00 0.00 H new ATOM 271 N LEU A 17 0.544 5.563 -10.199 1.00 0.00 N ATOM 272 CA LEU A 17 0.443 6.433 -11.358 1.00 0.00 C ATOM 273 C LEU A 17 0.836 5.651 -12.613 1.00 0.00 C ATOM 274 O LEU A 17 0.418 5.993 -13.718 1.00 0.00 O ATOM 275 CB LEU A 17 1.263 7.707 -11.145 1.00 0.00 C ATOM 276 CG LEU A 17 2.451 7.905 -12.088 1.00 0.00 C ATOM 277 CD1 LEU A 17 2.009 8.562 -13.397 1.00 0.00 C ATOM 278 CD2 LEU A 17 3.571 8.691 -11.402 1.00 0.00 C ATOM 0 H LEU A 17 1.188 5.887 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.586 6.764 -11.497 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.598 8.565 -11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.634 7.710 -10.120 1.00 0.00 H new ATOM 0 HG LEU A 17 2.854 6.924 -12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.873 8.691 -14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.273 7.929 -13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.566 9.535 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.403 8.818 -12.094 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.197 9.670 -11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.911 8.146 -10.521 1.00 0.00 H new ATOM 290 N ALA A 18 1.636 4.616 -12.400 1.00 0.00 N ATOM 291 CA ALA A 18 2.090 3.783 -13.501 1.00 0.00 C ATOM 292 C ALA A 18 1.070 2.669 -13.746 1.00 0.00 C ATOM 293 O ALA A 18 1.362 1.698 -14.442 1.00 0.00 O ATOM 294 CB ALA A 18 3.484 3.238 -13.186 1.00 0.00 C ATOM 0 H ALA A 18 1.981 4.336 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 18 2.167 4.367 -14.418 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.825 2.613 -14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.177 4.068 -13.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.445 2.644 -12.273 1.00 0.00 H new ATOM 300 N GLY A 19 -0.106 2.848 -13.162 1.00 0.00 N ATOM 301 CA GLY A 19 -1.170 1.870 -13.309 1.00 0.00 C ATOM 302 C GLY A 19 -0.829 0.573 -12.572 1.00 0.00 C ATOM 303 O GLY A 19 -0.549 0.591 -11.374 1.00 0.00 O ATOM 0 H GLY A 19 -0.345 3.655 -12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.102 2.280 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.332 1.660 -14.366 1.00 0.00 H new ATOM 307 N ARG A 20 -0.864 -0.521 -13.318 1.00 0.00 N ATOM 308 CA ARG A 20 -0.562 -1.824 -12.751 1.00 0.00 C ATOM 309 C ARG A 20 -1.234 -1.976 -11.385 1.00 0.00 C ATOM 310 O ARG A 20 -0.675 -1.572 -10.366 1.00 0.00 O ATOM 311 CB ARG A 20 0.947 -2.021 -12.595 1.00 0.00 C ATOM 312 CG ARG A 20 1.413 -3.285 -13.319 1.00 0.00 C ATOM 313 CD ARG A 20 2.941 -3.353 -13.375 1.00 0.00 C ATOM 314 NE ARG A 20 3.401 -4.704 -12.982 1.00 0.00 N ATOM 315 CZ ARG A 20 4.697 -5.079 -12.940 1.00 0.00 C ATOM 316 NH1 ARG A 20 5.674 -4.206 -13.267 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.995 -6.312 -12.576 1.00 0.00 N ATOM 0 H ARG A 20 -1.097 -0.532 -14.311 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.946 -2.581 -13.435 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.474 -1.154 -12.994 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.201 -2.089 -11.537 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.025 -4.166 -12.807 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.007 -3.299 -14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.287 -3.120 -14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.371 -2.605 -12.709 1.00 0.00 H new ATOM 0 HE ARG A 20 2.695 -5.394 -12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.435 -3.255 -13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.651 -4.497 -13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.251 -6.966 -12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.969 -6.611 -12.539 1.00 0.00 H new ATOM 330 N LYS A 21 -2.423 -2.561 -11.407 1.00 0.00 N ATOM 331 CA LYS A 21 -3.176 -2.771 -10.183 1.00 0.00 C ATOM 332 C LYS A 21 -2.212 -3.138 -9.052 1.00 0.00 C ATOM 333 O LYS A 21 -1.733 -4.268 -8.982 1.00 0.00 O ATOM 334 CB LYS A 21 -4.283 -3.804 -10.405 1.00 0.00 C ATOM 335 CG LYS A 21 -3.723 -5.081 -11.035 1.00 0.00 C ATOM 336 CD LYS A 21 -4.849 -5.970 -11.567 1.00 0.00 C ATOM 337 CE LYS A 21 -4.301 -7.041 -12.512 1.00 0.00 C ATOM 338 NZ LYS A 21 -4.916 -6.913 -13.852 1.00 0.00 N ATOM 0 H LYS A 21 -2.883 -2.896 -12.254 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.683 -1.853 -9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.759 -4.042 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.054 -3.383 -11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.044 -4.822 -11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.140 -5.630 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.367 -6.445 -10.734 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.583 -5.358 -12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.218 -6.945 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.504 -8.032 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.533 -7.647 -14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.947 -7.027 -13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.701 -5.974 -14.244 1.00 0.00 H new ATOM 351 N THR A 22 -1.956 -2.160 -8.196 1.00 0.00 N ATOM 352 CA THR A 22 -1.058 -2.365 -7.072 1.00 0.00 C ATOM 353 C THR A 22 -1.791 -3.063 -5.924 1.00 0.00 C ATOM 354 O THR A 22 -2.945 -2.750 -5.638 1.00 0.00 O ATOM 355 CB THR A 22 -0.472 -1.007 -6.681 1.00 0.00 C ATOM 356 OG1 THR A 22 -0.074 -0.430 -7.922 1.00 0.00 O ATOM 357 CG2 THR A 22 0.834 -1.137 -5.895 1.00 0.00 C ATOM 0 H THR A 22 -2.355 -1.223 -8.258 1.00 0.00 H new ATOM 0 HA THR A 22 -0.234 -3.026 -7.340 1.00 0.00 H new ATOM 0 HB THR A 22 -1.200 -0.456 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.316 0.455 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.207 -0.144 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.653 -1.700 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.574 -1.659 -6.502 1.00 0.00 H new ATOM 365 N ILE A 23 -1.089 -3.997 -5.299 1.00 0.00 N ATOM 366 CA ILE A 23 -1.658 -4.743 -4.189 1.00 0.00 C ATOM 367 C ILE A 23 -1.087 -4.208 -2.875 1.00 0.00 C ATOM 368 O ILE A 23 0.054 -3.749 -2.830 1.00 0.00 O ATOM 369 CB ILE A 23 -1.443 -6.245 -4.387 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.510 -6.514 -5.568 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.780 -6.975 -4.534 1.00 0.00 C ATOM 372 CD1 ILE A 23 -0.442 -8.010 -5.884 1.00 0.00 C ATOM 0 H ILE A 23 -0.132 -4.254 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.738 -4.602 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.956 -6.641 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.861 -5.969 -6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.488 -6.141 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.599 -8.041 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.378 -6.823 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.316 -6.582 -5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.228 -8.174 -6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.068 -8.549 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.438 -8.374 -6.136 1.00 0.00 H new ATOM 384 N THR A 24 -1.906 -4.284 -1.836 1.00 0.00 N ATOM 385 CA THR A 24 -1.496 -3.813 -0.524 1.00 0.00 C ATOM 386 C THR A 24 -1.670 -4.920 0.518 1.00 0.00 C ATOM 387 O THR A 24 -2.225 -5.976 0.221 1.00 0.00 O ATOM 388 CB THR A 24 -2.295 -2.548 -0.205 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.655 -2.953 -0.335 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.126 -1.464 -1.272 1.00 0.00 C ATOM 0 H THR A 24 -2.851 -4.665 -1.876 1.00 0.00 H new ATOM 0 HA THR A 24 -0.436 -3.558 -0.508 1.00 0.00 H new ATOM 0 HB THR A 24 -1.983 -2.157 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.877 -3.053 -1.284 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.714 -0.588 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.074 -1.187 -1.346 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.469 -1.844 -2.234 1.00 0.00 H new ATOM 398 N ILE A 25 -1.184 -4.640 1.719 1.00 0.00 N ATOM 399 CA ILE A 25 -1.278 -5.598 2.807 1.00 0.00 C ATOM 400 C ILE A 25 -2.018 -4.957 3.983 1.00 0.00 C ATOM 401 O ILE A 25 -1.821 -3.779 4.277 1.00 0.00 O ATOM 402 CB ILE A 25 0.108 -6.134 3.171 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.838 -6.653 1.930 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.015 -7.196 4.268 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.696 -5.555 1.299 1.00 0.00 C ATOM 0 H ILE A 25 -0.724 -3.763 1.962 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.859 -6.467 2.500 1.00 0.00 H new ATOM 0 HB ILE A 25 0.699 -5.310 3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.468 -7.500 2.202 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.112 -7.016 1.202 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.014 -7.560 4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.436 -6.760 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.600 -8.026 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.204 -5.950 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.060 -4.720 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.436 -5.212 2.021 1.00 0.00 H new ATOM 417 N ARG A 26 -2.854 -5.761 4.623 1.00 0.00 N ATOM 418 CA ARG A 26 -3.624 -5.287 5.760 1.00 0.00 C ATOM 419 C ARG A 26 -3.677 -6.360 6.850 1.00 0.00 C ATOM 420 O ARG A 26 -3.250 -7.493 6.632 1.00 0.00 O ATOM 421 CB ARG A 26 -5.051 -4.921 5.345 1.00 0.00 C ATOM 422 CG ARG A 26 -5.184 -4.877 3.822 1.00 0.00 C ATOM 423 CD ARG A 26 -4.506 -3.632 3.247 1.00 0.00 C ATOM 424 NE ARG A 26 -5.523 -2.715 2.686 1.00 0.00 N ATOM 425 CZ ARG A 26 -6.134 -1.740 3.391 1.00 0.00 C ATOM 426 NH1 ARG A 26 -5.836 -1.546 4.693 1.00 0.00 N ATOM 427 NH2 ARG A 26 -7.029 -0.979 2.788 1.00 0.00 N ATOM 0 H ARG A 26 -3.015 -6.737 4.376 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.130 -4.396 6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.751 -5.650 5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.319 -3.952 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.737 -5.772 3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.238 -4.882 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.938 -3.125 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.797 -3.920 2.471 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.778 -2.827 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.144 -2.139 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.303 -0.807 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.249 -1.133 1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.500 -0.238 3.306 1.00 0.00 H new ATOM 440 N ASP A 27 -4.203 -5.965 8.000 1.00 0.00 N ATOM 441 CA ASP A 27 -4.317 -6.878 9.124 1.00 0.00 C ATOM 442 C ASP A 27 -5.763 -7.366 9.235 1.00 0.00 C ATOM 443 O ASP A 27 -6.697 -6.567 9.182 1.00 0.00 O ATOM 444 CB ASP A 27 -3.950 -6.184 10.437 1.00 0.00 C ATOM 445 CG ASP A 27 -4.432 -6.897 11.702 1.00 0.00 C ATOM 446 OD1 ASP A 27 -5.416 -6.483 12.333 1.00 0.00 O ATOM 447 OD2 ASP A 27 -3.742 -7.934 12.040 1.00 0.00 O ATOM 0 H ASP A 27 -4.555 -5.024 8.177 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.634 -7.710 8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.866 -6.082 10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.364 -5.176 10.426 1.00 0.00 H new ATOM 453 N GLU A 28 -5.903 -8.675 9.387 1.00 0.00 N ATOM 454 CA GLU A 28 -7.219 -9.278 9.506 1.00 0.00 C ATOM 455 C GLU A 28 -7.963 -8.695 10.709 1.00 0.00 C ATOM 456 O GLU A 28 -9.174 -8.486 10.653 1.00 0.00 O ATOM 457 CB GLU A 28 -7.117 -10.801 9.610 1.00 0.00 C ATOM 458 CG GLU A 28 -8.480 -11.422 9.921 1.00 0.00 C ATOM 459 CD GLU A 28 -9.508 -11.054 8.849 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.882 -9.878 8.727 1.00 0.00 O ATOM 461 OE2 GLU A 28 -9.919 -12.040 8.126 1.00 0.00 O ATOM 0 H GLU A 28 -5.126 -9.335 9.430 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.787 -9.046 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.733 -11.208 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.405 -11.069 10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.384 -12.506 9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.827 -11.078 10.896 1.00 0.00 H new ATOM 469 N SER A 29 -7.208 -8.449 11.770 1.00 0.00 N ATOM 470 CA SER A 29 -7.781 -7.895 12.984 1.00 0.00 C ATOM 471 C SER A 29 -8.232 -6.454 12.739 1.00 0.00 C ATOM 472 O SER A 29 -8.881 -5.849 13.592 1.00 0.00 O ATOM 473 CB SER A 29 -6.780 -7.948 14.140 1.00 0.00 C ATOM 474 OG SER A 29 -6.772 -6.740 14.896 1.00 0.00 O ATOM 0 H SER A 29 -6.204 -8.623 11.813 1.00 0.00 H new ATOM 0 HA SER A 29 -8.646 -8.498 13.260 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.027 -8.784 14.795 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.781 -8.136 13.746 1.00 0.00 H new ATOM 0 HG SER A 29 -6.259 -6.057 14.416 1.00 0.00 H new ATOM 480 N GLU A 30 -7.871 -5.945 11.570 1.00 0.00 N ATOM 481 CA GLU A 30 -8.231 -4.586 11.203 1.00 0.00 C ATOM 482 C GLU A 30 -9.112 -4.590 9.952 1.00 0.00 C ATOM 483 O GLU A 30 -9.507 -3.533 9.462 1.00 0.00 O ATOM 484 CB GLU A 30 -6.983 -3.726 10.991 1.00 0.00 C ATOM 485 CG GLU A 30 -6.612 -2.974 12.271 1.00 0.00 C ATOM 486 CD GLU A 30 -5.109 -2.689 12.323 1.00 0.00 C ATOM 487 OE1 GLU A 30 -4.303 -3.627 12.410 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.789 -1.441 12.269 1.00 0.00 O ATOM 0 H GLU A 30 -7.333 -6.449 10.865 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.799 -4.148 12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.150 -4.357 10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.160 -3.014 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.166 -2.036 12.320 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.905 -3.562 13.141 1.00 0.00 H new ATOM 496 N SER A 31 -9.396 -5.792 9.471 1.00 0.00 N ATOM 497 CA SER A 31 -10.223 -5.948 8.287 1.00 0.00 C ATOM 498 C SER A 31 -11.336 -4.898 8.284 1.00 0.00 C ATOM 499 O SER A 31 -12.197 -4.898 9.163 1.00 0.00 O ATOM 500 CB SER A 31 -10.820 -7.354 8.213 1.00 0.00 C ATOM 501 OG SER A 31 -12.218 -7.328 7.939 1.00 0.00 O ATOM 0 H SER A 31 -9.068 -6.667 9.880 1.00 0.00 H new ATOM 0 HA SER A 31 -9.593 -5.804 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.309 -7.924 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.645 -7.872 9.156 1.00 0.00 H new ATOM 0 HG SER A 31 -12.560 -8.245 7.898 1.00 0.00 H new ATOM 507 N HIS A 32 -11.283 -4.028 7.286 1.00 0.00 N ATOM 508 CA HIS A 32 -12.277 -2.975 7.158 1.00 0.00 C ATOM 509 C HIS A 32 -13.030 -3.139 5.836 1.00 0.00 C ATOM 510 O HIS A 32 -13.532 -4.220 5.533 1.00 0.00 O ATOM 511 CB HIS A 32 -11.629 -1.597 7.305 1.00 0.00 C ATOM 512 CG HIS A 32 -10.547 -1.315 6.290 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.706 -0.219 6.375 1.00 0.00 N ATOM 514 CD2 HIS A 32 -10.178 -1.998 5.168 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.873 -0.250 5.346 1.00 0.00 C ATOM 516 NE2 HIS A 32 -9.167 -1.353 4.599 1.00 0.00 N ATOM 0 H HIS A 32 -10.568 -4.030 6.559 1.00 0.00 H new ATOM 0 HA HIS A 32 -13.006 -3.057 7.964 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.401 -0.833 7.219 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.205 -1.511 8.306 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.725 0.492 7.106 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.631 -2.908 4.805 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.097 0.471 5.135 1.00 0.00 H new ATOM 524 N PHE A 33 -13.084 -2.049 5.084 1.00 0.00 N ATOM 525 CA PHE A 33 -13.768 -2.058 3.802 1.00 0.00 C ATOM 526 C PHE A 33 -13.445 -3.331 3.018 1.00 0.00 C ATOM 527 O PHE A 33 -12.541 -4.079 3.386 1.00 0.00 O ATOM 528 CB PHE A 33 -13.260 -0.847 3.016 1.00 0.00 C ATOM 529 CG PHE A 33 -13.312 0.468 3.797 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.445 1.221 3.786 1.00 0.00 C ATOM 531 CD2 PHE A 33 -12.226 0.883 4.502 1.00 0.00 C ATOM 532 CE1 PHE A 33 -14.493 2.441 4.511 1.00 0.00 C ATOM 533 CE2 PHE A 33 -12.274 2.103 5.227 1.00 0.00 C ATOM 534 CZ PHE A 33 -13.407 2.856 5.216 1.00 0.00 C ATOM 0 H PHE A 33 -12.665 -1.154 5.338 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.847 -2.021 3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.232 -1.033 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.853 -0.742 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.308 0.891 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.327 0.285 4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.392 3.039 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.411 2.433 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 33 -13.444 3.784 5.768 1.00 0.00 H new ATOM 544 N LYS A 34 -14.203 -3.539 1.951 1.00 0.00 N ATOM 545 CA LYS A 34 -14.009 -4.709 1.111 1.00 0.00 C ATOM 546 C LYS A 34 -13.770 -4.262 -0.332 1.00 0.00 C ATOM 547 O LYS A 34 -13.579 -3.075 -0.595 1.00 0.00 O ATOM 548 CB LYS A 34 -15.180 -5.681 1.268 1.00 0.00 C ATOM 549 CG LYS A 34 -15.035 -6.514 2.543 1.00 0.00 C ATOM 550 CD LYS A 34 -16.015 -6.043 3.620 1.00 0.00 C ATOM 551 CE LYS A 34 -17.150 -7.051 3.806 1.00 0.00 C ATOM 552 NZ LYS A 34 -16.901 -7.898 4.994 1.00 0.00 N ATOM 0 H LYS A 34 -14.953 -2.917 1.649 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.123 -5.260 1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -16.117 -5.125 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.228 -6.341 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.215 -7.565 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.014 -6.438 2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.486 -5.907 4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.427 -5.073 3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.097 -6.524 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.238 -7.677 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.681 -8.577 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.007 -8.415 4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.840 -7.298 5.841 1.00 0.00 H new ATOM 565 N THR A 35 -13.787 -5.235 -1.231 1.00 0.00 N ATOM 566 CA THR A 35 -13.575 -4.957 -2.641 1.00 0.00 C ATOM 567 C THR A 35 -14.788 -4.236 -3.231 1.00 0.00 C ATOM 568 O THR A 35 -15.909 -4.407 -2.754 1.00 0.00 O ATOM 569 CB THR A 35 -13.254 -6.279 -3.341 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.303 -6.904 -2.483 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.495 -6.077 -4.654 1.00 0.00 C ATOM 0 H THR A 35 -13.945 -6.218 -1.010 1.00 0.00 H new ATOM 0 HA THR A 35 -12.732 -4.282 -2.788 1.00 0.00 H new ATOM 0 HB THR A 35 -14.180 -6.820 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.041 -7.769 -2.861 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.292 -7.046 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.098 -5.475 -5.334 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.553 -5.566 -4.455 1.00 0.00 H new ATOM 579 N GLY A 36 -14.523 -3.444 -4.260 1.00 0.00 N ATOM 580 CA GLY A 36 -15.580 -2.696 -4.920 1.00 0.00 C ATOM 581 C GLY A 36 -15.864 -1.384 -4.185 1.00 0.00 C ATOM 582 O GLY A 36 -16.540 -0.505 -4.717 1.00 0.00 O ATOM 0 H GLY A 36 -13.592 -3.304 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.293 -2.485 -5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.487 -3.299 -4.959 1.00 0.00 H new ATOM 586 N ASP A 37 -15.334 -1.294 -2.975 1.00 0.00 N ATOM 587 CA ASP A 37 -15.522 -0.105 -2.162 1.00 0.00 C ATOM 588 C ASP A 37 -14.404 0.896 -2.463 1.00 0.00 C ATOM 589 O ASP A 37 -13.646 0.717 -3.414 1.00 0.00 O ATOM 590 CB ASP A 37 -15.466 -0.442 -0.670 1.00 0.00 C ATOM 591 CG ASP A 37 -16.814 -0.400 0.053 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.636 0.499 -0.179 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.009 -1.355 0.898 1.00 0.00 O ATOM 0 H ASP A 37 -14.774 -2.026 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.499 0.314 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.039 -1.438 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.786 0.255 -0.181 1.00 0.00 H new ATOM 599 N VAL A 38 -14.337 1.927 -1.633 1.00 0.00 N ATOM 600 CA VAL A 38 -13.324 2.955 -1.798 1.00 0.00 C ATOM 601 C VAL A 38 -12.279 2.818 -0.690 1.00 0.00 C ATOM 602 O VAL A 38 -12.605 2.432 0.432 1.00 0.00 O ATOM 603 CB VAL A 38 -13.982 4.336 -1.832 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.300 5.293 -0.852 1.00 0.00 C ATOM 605 CG2 VAL A 38 -13.978 4.911 -3.250 1.00 0.00 C ATOM 0 H VAL A 38 -14.968 2.072 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.806 2.832 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.020 4.219 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.787 6.267 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.377 4.894 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.249 5.400 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.451 5.893 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.951 5.005 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.529 4.245 -3.914 1.00 0.00 H new ATOM 615 N LEU A 39 -11.043 3.142 -1.042 1.00 0.00 N ATOM 616 CA LEU A 39 -9.948 3.059 -0.091 1.00 0.00 C ATOM 617 C LEU A 39 -9.274 4.428 0.024 1.00 0.00 C ATOM 618 O LEU A 39 -8.662 4.905 -0.930 1.00 0.00 O ATOM 619 CB LEU A 39 -8.987 1.932 -0.477 1.00 0.00 C ATOM 620 CG LEU A 39 -9.394 0.525 -0.035 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.690 -0.539 -0.879 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.145 0.326 1.462 1.00 0.00 C ATOM 0 H LEU A 39 -10.776 3.462 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.323 2.802 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.874 1.933 -1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.007 2.155 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.465 0.412 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.996 -1.530 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.961 -0.410 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.611 -0.436 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.443 -0.682 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.086 0.466 1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.729 1.052 2.028 1.00 0.00 H new ATOM 634 N ARG A 40 -9.410 5.022 1.201 1.00 0.00 N ATOM 635 CA ARG A 40 -8.822 6.326 1.453 1.00 0.00 C ATOM 636 C ARG A 40 -7.295 6.237 1.415 1.00 0.00 C ATOM 637 O ARG A 40 -6.708 5.325 1.995 1.00 0.00 O ATOM 638 CB ARG A 40 -9.260 6.874 2.813 1.00 0.00 C ATOM 639 CG ARG A 40 -10.061 8.167 2.652 1.00 0.00 C ATOM 640 CD ARG A 40 -9.233 9.382 3.076 1.00 0.00 C ATOM 641 NE ARG A 40 -9.981 10.628 2.795 1.00 0.00 N ATOM 642 CZ ARG A 40 -10.987 11.096 3.564 1.00 0.00 C ATOM 643 NH1 ARG A 40 -11.375 10.425 4.669 1.00 0.00 N ATOM 644 NH2 ARG A 40 -11.586 12.220 3.218 1.00 0.00 N ATOM 0 H ARG A 40 -9.919 4.624 1.990 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.169 7.002 0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.865 6.130 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.383 7.060 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.372 8.279 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.969 8.114 3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.000 9.320 4.139 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.283 9.390 2.541 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.720 11.167 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.907 9.557 4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.136 10.786 5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.287 12.721 2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.348 12.588 3.787 1.00 0.00 H new ATOM 657 N VAL A 41 -6.696 7.197 0.725 1.00 0.00 N ATOM 658 CA VAL A 41 -5.248 7.238 0.603 1.00 0.00 C ATOM 659 C VAL A 41 -4.747 8.627 1.003 1.00 0.00 C ATOM 660 O VAL A 41 -5.531 9.568 1.107 1.00 0.00 O ATOM 661 CB VAL A 41 -4.831 6.836 -0.813 1.00 0.00 C ATOM 662 CG1 VAL A 41 -3.336 7.077 -1.033 1.00 0.00 C ATOM 663 CG2 VAL A 41 -5.199 5.379 -1.101 1.00 0.00 C ATOM 0 H VAL A 41 -7.186 7.952 0.245 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.786 6.519 1.279 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.379 7.465 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.065 6.783 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.113 8.134 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.763 6.485 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.891 5.119 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.691 4.728 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.277 5.250 -1.005 1.00 0.00 H new ATOM 673 N GLY A 42 -3.442 8.711 1.216 1.00 0.00 N ATOM 674 CA GLY A 42 -2.826 9.969 1.602 1.00 0.00 C ATOM 675 C GLY A 42 -1.332 9.786 1.880 1.00 0.00 C ATOM 676 O GLY A 42 -0.943 9.435 2.993 1.00 0.00 O ATOM 0 H GLY A 42 -2.794 7.928 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.965 10.704 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.319 10.362 2.491 1.00 0.00 H new ATOM 680 N ARG A 43 -0.536 10.031 0.850 1.00 0.00 N ATOM 681 CA ARG A 43 0.905 9.898 0.970 1.00 0.00 C ATOM 682 C ARG A 43 1.466 10.994 1.878 1.00 0.00 C ATOM 683 O ARG A 43 1.074 12.155 1.770 1.00 0.00 O ATOM 684 CB ARG A 43 1.582 9.984 -0.400 1.00 0.00 C ATOM 685 CG ARG A 43 1.251 11.307 -1.093 1.00 0.00 C ATOM 686 CD ARG A 43 1.155 11.122 -2.609 1.00 0.00 C ATOM 687 NE ARG A 43 1.118 12.442 -3.278 1.00 0.00 N ATOM 688 CZ ARG A 43 1.514 12.657 -4.551 1.00 0.00 C ATOM 689 NH1 ARG A 43 1.981 11.639 -5.304 1.00 0.00 N ATOM 690 NH2 ARG A 43 1.438 13.878 -5.047 1.00 0.00 N ATOM 0 H ARG A 43 -0.862 10.321 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 43 1.112 8.920 1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.662 9.891 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.256 9.151 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.308 11.696 -0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.018 12.045 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.008 10.547 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.259 10.553 -2.858 1.00 0.00 H new ATOM 0 HE ARG A 43 0.772 13.239 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.037 10.699 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.278 11.810 -6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.084 14.642 -4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.733 14.058 -6.007 1.00 0.00 H new ATOM 813 N CYS A 51 -6.037 11.727 -0.453 1.00 0.00 N ATOM 814 CA CYS A 51 -6.178 10.980 -1.692 1.00 0.00 C ATOM 815 C CYS A 51 -7.301 9.957 -1.511 1.00 0.00 C ATOM 816 O CYS A 51 -7.767 9.733 -0.395 1.00 0.00 O ATOM 817 CB CYS A 51 -4.862 10.316 -2.105 1.00 0.00 C ATOM 818 SG CYS A 51 -3.450 11.382 -1.638 1.00 0.00 S ATOM 0 HA CYS A 51 -6.436 11.661 -2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.769 9.343 -1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.856 10.140 -3.181 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.858 12.311 -0.825 1.00 0.00 H new ATOM 824 N THR A 52 -7.703 9.364 -2.625 1.00 0.00 N ATOM 825 CA THR A 52 -8.763 8.370 -2.604 1.00 0.00 C ATOM 826 C THR A 52 -8.577 7.368 -3.745 1.00 0.00 C ATOM 827 O THR A 52 -8.132 7.735 -4.832 1.00 0.00 O ATOM 828 CB THR A 52 -10.103 9.107 -2.653 1.00 0.00 C ATOM 829 OG1 THR A 52 -9.977 10.122 -1.662 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.264 8.243 -2.158 1.00 0.00 C ATOM 0 H THR A 52 -7.314 9.553 -3.549 1.00 0.00 H new ATOM 0 HA THR A 52 -8.734 7.780 -1.688 1.00 0.00 H new ATOM 0 HB THR A 52 -10.302 9.431 -3.674 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.802 10.649 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.191 8.813 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.347 7.353 -2.782 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.082 7.946 -1.125 1.00 0.00 H new ATOM 838 N ILE A 53 -8.928 6.123 -3.460 1.00 0.00 N ATOM 839 CA ILE A 53 -8.806 5.065 -4.449 1.00 0.00 C ATOM 840 C ILE A 53 -9.972 4.087 -4.289 1.00 0.00 C ATOM 841 O ILE A 53 -10.722 4.163 -3.317 1.00 0.00 O ATOM 842 CB ILE A 53 -7.430 4.403 -4.358 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.427 3.287 -3.311 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.338 5.441 -4.092 1.00 0.00 C ATOM 845 CD1 ILE A 53 -8.116 2.030 -3.847 1.00 0.00 C ATOM 0 H ILE A 53 -9.297 5.823 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.870 5.475 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.208 3.943 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.401 3.051 -3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.935 3.628 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.370 4.944 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.322 6.169 -4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.543 5.951 -3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.100 1.253 -3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.149 2.263 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.591 1.677 -4.735 1.00 0.00 H new ATOM 857 N GLU A 54 -10.087 3.191 -5.258 1.00 0.00 N ATOM 858 CA GLU A 54 -11.149 2.199 -5.238 1.00 0.00 C ATOM 859 C GLU A 54 -10.562 0.791 -5.361 1.00 0.00 C ATOM 860 O GLU A 54 -9.718 0.540 -6.219 1.00 0.00 O ATOM 861 CB GLU A 54 -12.170 2.466 -6.345 1.00 0.00 C ATOM 862 CG GLU A 54 -13.600 2.361 -5.809 1.00 0.00 C ATOM 863 CD GLU A 54 -14.611 2.855 -6.846 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.926 2.128 -7.800 1.00 0.00 O ATOM 865 OE2 GLU A 54 -15.077 4.039 -6.632 1.00 0.00 O ATOM 0 H GLU A 54 -9.462 3.131 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.670 2.272 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.007 3.459 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.028 1.751 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.819 1.326 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.694 2.948 -4.896 1.00 0.00 H new ATOM 873 N VAL A 55 -11.033 -0.090 -4.490 1.00 0.00 N ATOM 874 CA VAL A 55 -10.566 -1.465 -4.491 1.00 0.00 C ATOM 875 C VAL A 55 -10.884 -2.107 -5.843 1.00 0.00 C ATOM 876 O VAL A 55 -11.721 -1.605 -6.591 1.00 0.00 O ATOM 877 CB VAL A 55 -11.174 -2.225 -3.310 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.196 -3.269 -2.768 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.616 -1.262 -2.207 1.00 0.00 C ATOM 0 H VAL A 55 -11.733 0.122 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.484 -1.501 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.059 -2.750 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.653 -3.795 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.953 -3.983 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.284 -2.774 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.044 -1.828 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.755 -0.696 -1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.364 -0.575 -2.602 1.00 0.00 H new ATOM 889 N THR A 56 -10.198 -3.208 -6.115 1.00 0.00 N ATOM 890 CA THR A 56 -10.398 -3.924 -7.364 1.00 0.00 C ATOM 891 C THR A 56 -10.390 -5.434 -7.120 1.00 0.00 C ATOM 892 O THR A 56 -11.252 -6.152 -7.626 1.00 0.00 O ATOM 893 CB THR A 56 -9.322 -3.462 -8.350 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.853 -3.803 -9.627 1.00 0.00 O ATOM 895 CG2 THR A 56 -8.039 -4.290 -8.247 1.00 0.00 C ATOM 0 H THR A 56 -9.504 -3.621 -5.492 1.00 0.00 H new ATOM 0 HA THR A 56 -11.374 -3.702 -7.796 1.00 0.00 H new ATOM 0 HB THR A 56 -9.092 -2.412 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.220 -3.537 -10.326 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.309 -3.921 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.630 -4.204 -7.240 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.263 -5.335 -8.460 1.00 0.00 H new ATOM 903 N ALA A 57 -9.409 -5.871 -6.345 1.00 0.00 N ATOM 904 CA ALA A 57 -9.278 -7.283 -6.028 1.00 0.00 C ATOM 905 C ALA A 57 -8.678 -7.434 -4.629 1.00 0.00 C ATOM 906 O ALA A 57 -8.209 -6.460 -4.042 1.00 0.00 O ATOM 907 CB ALA A 57 -8.434 -7.972 -7.102 1.00 0.00 C ATOM 0 H ALA A 57 -8.697 -5.272 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.255 -7.767 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.336 -9.031 -6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.919 -7.862 -8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.445 -7.515 -7.136 1.00 0.00 H new ATOM 913 N THR A 58 -8.711 -8.663 -4.135 1.00 0.00 N ATOM 914 CA THR A 58 -8.176 -8.954 -2.815 1.00 0.00 C ATOM 915 C THR A 58 -7.698 -10.405 -2.742 1.00 0.00 C ATOM 916 O THR A 58 -8.296 -11.291 -3.351 1.00 0.00 O ATOM 917 CB THR A 58 -9.253 -8.615 -1.783 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.094 -7.216 -1.561 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.973 -9.243 -0.416 1.00 0.00 C ATOM 0 H THR A 58 -9.100 -9.469 -4.625 1.00 0.00 H new ATOM 0 HA THR A 58 -7.298 -8.345 -2.600 1.00 0.00 H new ATOM 0 HB THR A 58 -10.223 -8.954 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.696 -6.802 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.767 -8.971 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.933 -10.328 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.018 -8.878 -0.037 1.00 0.00 H new ATOM 927 N SER A 59 -6.626 -10.604 -1.990 1.00 0.00 N ATOM 928 CA SER A 59 -6.062 -11.934 -1.828 1.00 0.00 C ATOM 929 C SER A 59 -5.254 -12.005 -0.531 1.00 0.00 C ATOM 930 O SER A 59 -4.980 -10.980 0.091 1.00 0.00 O ATOM 931 CB SER A 59 -5.182 -12.307 -3.023 1.00 0.00 C ATOM 932 OG SER A 59 -4.960 -11.199 -3.890 1.00 0.00 O ATOM 0 H SER A 59 -6.133 -9.867 -1.486 1.00 0.00 H new ATOM 0 HA SER A 59 -6.882 -12.650 -1.777 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.224 -12.684 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.653 -13.116 -3.582 1.00 0.00 H new ATOM 0 HG SER A 59 -4.393 -11.478 -4.639 1.00 0.00 H new ATOM 938 N THR A 60 -4.894 -13.226 -0.161 1.00 0.00 N ATOM 939 CA THR A 60 -4.123 -13.444 1.051 1.00 0.00 C ATOM 940 C THR A 60 -2.655 -13.706 0.709 1.00 0.00 C ATOM 941 O THR A 60 -2.325 -14.737 0.124 1.00 0.00 O ATOM 942 CB THR A 60 -4.779 -14.586 1.829 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.384 -15.391 0.821 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.957 -14.112 2.683 1.00 0.00 C ATOM 0 H THR A 60 -5.122 -14.074 -0.680 1.00 0.00 H new ATOM 0 HA THR A 60 -4.123 -12.557 1.685 1.00 0.00 H new ATOM 0 HB THR A 60 -4.036 -15.063 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.831 -16.157 1.238 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.386 -14.961 3.214 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.609 -13.372 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.715 -13.665 2.040 1.00 0.00 H new ATOM 952 N VAL A 61 -1.814 -12.756 1.088 1.00 0.00 N ATOM 953 CA VAL A 61 -0.389 -12.871 0.829 1.00 0.00 C ATOM 954 C VAL A 61 0.376 -11.961 1.793 1.00 0.00 C ATOM 955 O VAL A 61 -0.230 -11.219 2.564 1.00 0.00 O ATOM 956 CB VAL A 61 -0.098 -12.563 -0.641 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.796 -13.640 -1.261 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.395 -12.404 -1.436 1.00 0.00 C ATOM 0 H VAL A 61 -2.092 -11.903 1.573 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.050 -13.891 1.007 1.00 0.00 H new ATOM 0 HB VAL A 61 0.439 -11.616 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.987 -13.397 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.741 -13.684 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.297 -14.607 -1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.159 -12.186 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.971 -13.328 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.980 -11.585 -1.017 1.00 0.00 H new ATOM 968 N THR A 62 1.696 -12.049 1.717 1.00 0.00 N ATOM 969 CA THR A 62 2.549 -11.243 2.574 1.00 0.00 C ATOM 970 C THR A 62 2.755 -9.854 1.966 1.00 0.00 C ATOM 971 O THR A 62 1.918 -9.376 1.203 1.00 0.00 O ATOM 972 CB THR A 62 3.855 -12.009 2.795 1.00 0.00 C ATOM 973 OG1 THR A 62 3.433 -13.343 3.065 1.00 0.00 O ATOM 974 CG2 THR A 62 4.576 -11.580 4.074 1.00 0.00 C ATOM 0 H THR A 62 2.195 -12.665 1.076 1.00 0.00 H new ATOM 0 HA THR A 62 2.086 -11.073 3.546 1.00 0.00 H new ATOM 0 HB THR A 62 4.514 -11.858 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.209 -13.888 3.313 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.496 -12.154 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.815 -10.518 4.018 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.931 -11.762 4.934 1.00 0.00 H new ATOM 982 N LEU A 63 3.875 -9.246 2.328 1.00 0.00 N ATOM 983 CA LEU A 63 4.202 -7.921 1.828 1.00 0.00 C ATOM 984 C LEU A 63 5.143 -8.051 0.628 1.00 0.00 C ATOM 985 O LEU A 63 4.742 -7.806 -0.509 1.00 0.00 O ATOM 986 CB LEU A 63 4.758 -7.046 2.953 1.00 0.00 C ATOM 987 CG LEU A 63 5.850 -7.679 3.818 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.192 -6.975 3.608 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.439 -7.701 5.291 1.00 0.00 C ATOM 0 H LEU A 63 4.567 -9.646 2.961 1.00 0.00 H new ATOM 0 HA LEU A 63 3.303 -7.415 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.156 -6.132 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.932 -6.754 3.602 1.00 0.00 H new ATOM 0 HG LEU A 63 5.977 -8.715 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.951 -7.444 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.485 -7.055 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.098 -5.923 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.233 -8.156 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.267 -6.681 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.523 -8.281 5.405 1.00 0.00 H new ATOM 1001 N ASP A 64 6.376 -8.436 0.922 1.00 0.00 N ATOM 1002 CA ASP A 64 7.376 -8.601 -0.118 1.00 0.00 C ATOM 1003 C ASP A 64 6.858 -9.589 -1.166 1.00 0.00 C ATOM 1004 O ASP A 64 7.461 -9.748 -2.226 1.00 0.00 O ATOM 1005 CB ASP A 64 8.680 -9.161 0.455 1.00 0.00 C ATOM 1006 CG ASP A 64 9.956 -8.538 -0.113 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.947 -7.943 -1.201 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.008 -8.685 0.620 1.00 0.00 O ATOM 0 H ASP A 64 6.705 -8.638 1.866 1.00 0.00 H new ATOM 0 HA ASP A 64 7.567 -7.623 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.675 -9.020 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.707 -10.236 0.274 1.00 0.00 H new ATOM 1014 N THR A 65 5.746 -10.226 -0.832 1.00 0.00 N ATOM 1015 CA THR A 65 5.139 -11.194 -1.731 1.00 0.00 C ATOM 1016 C THR A 65 4.366 -10.480 -2.841 1.00 0.00 C ATOM 1017 O THR A 65 3.756 -11.125 -3.692 1.00 0.00 O ATOM 1018 CB THR A 65 4.271 -12.137 -0.895 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.636 -11.278 0.049 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.103 -13.088 -0.032 1.00 0.00 C ATOM 0 H THR A 65 5.249 -10.091 0.048 1.00 0.00 H new ATOM 0 HA THR A 65 5.897 -11.791 -2.239 1.00 0.00 H new ATOM 0 HB THR A 65 3.625 -12.717 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.858 -10.853 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.439 -13.735 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.740 -13.698 -0.673 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.724 -12.509 0.652 1.00 0.00 H new ATOM 1028 N LEU A 66 4.416 -9.156 -2.795 1.00 0.00 N ATOM 1029 CA LEU A 66 3.727 -8.347 -3.786 1.00 0.00 C ATOM 1030 C LEU A 66 4.011 -6.868 -3.518 1.00 0.00 C ATOM 1031 O LEU A 66 4.239 -6.097 -4.449 1.00 0.00 O ATOM 1032 CB LEU A 66 2.237 -8.691 -3.817 1.00 0.00 C ATOM 1033 CG LEU A 66 1.548 -8.811 -2.456 1.00 0.00 C ATOM 1034 CD1 LEU A 66 1.208 -7.431 -1.890 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.316 -9.715 -2.543 1.00 0.00 C ATOM 0 H LEU A 66 4.923 -8.624 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 66 4.102 -8.568 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.720 -7.927 -4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.113 -9.634 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 66 2.244 -9.281 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.719 -7.545 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.123 -6.852 -1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.539 -6.911 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.155 -9.783 -1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.393 -9.296 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.617 -10.710 -2.871 1.00 0.00 H new ATOM 1047 N THR A 67 3.989 -6.517 -2.240 1.00 0.00 N ATOM 1048 CA THR A 67 4.242 -5.144 -1.837 1.00 0.00 C ATOM 1049 C THR A 67 5.420 -4.565 -2.624 1.00 0.00 C ATOM 1050 O THR A 67 6.304 -5.303 -3.057 1.00 0.00 O ATOM 1051 CB THR A 67 4.456 -5.127 -0.323 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.019 -3.831 0.076 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.938 -5.154 0.059 1.00 0.00 C ATOM 0 H THR A 67 3.800 -7.160 -1.471 1.00 0.00 H new ATOM 0 HA THR A 67 3.392 -4.502 -2.067 1.00 0.00 H new ATOM 0 HB THR A 67 3.950 -5.982 0.124 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.122 -3.735 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.034 -5.141 1.145 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.399 -6.060 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.438 -4.281 -0.360 1.00 0.00 H new ATOM 1061 N GLU A 68 5.393 -3.250 -2.785 1.00 0.00 N ATOM 1062 CA GLU A 68 6.448 -2.564 -3.512 1.00 0.00 C ATOM 1063 C GLU A 68 7.820 -3.000 -2.994 1.00 0.00 C ATOM 1064 O GLU A 68 8.818 -2.897 -3.706 1.00 0.00 O ATOM 1065 CB GLU A 68 6.282 -1.046 -3.417 1.00 0.00 C ATOM 1066 CG GLU A 68 5.530 -0.500 -4.632 1.00 0.00 C ATOM 1067 CD GLU A 68 6.304 0.646 -5.286 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.253 1.786 -4.801 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.979 0.319 -6.336 1.00 0.00 O ATOM 0 H GLU A 68 4.658 -2.642 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 68 6.375 -2.839 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.741 -0.792 -2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.262 -0.573 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.374 -1.299 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.544 -0.150 -4.327 1.00 0.00 H new ATOM 1077 N LYS A 69 7.826 -3.476 -1.757 1.00 0.00 N ATOM 1078 CA LYS A 69 9.059 -3.927 -1.135 1.00 0.00 C ATOM 1079 C LYS A 69 9.795 -4.866 -2.093 1.00 0.00 C ATOM 1080 O LYS A 69 11.022 -4.946 -2.069 1.00 0.00 O ATOM 1081 CB LYS A 69 8.773 -4.546 0.235 1.00 0.00 C ATOM 1082 CG LYS A 69 10.070 -4.789 1.008 1.00 0.00 C ATOM 1083 CD LYS A 69 9.885 -5.887 2.058 1.00 0.00 C ATOM 1084 CE LYS A 69 11.060 -5.913 3.037 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.601 -6.304 4.388 1.00 0.00 N ATOM 0 H LYS A 69 6.997 -3.559 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 69 9.721 -3.082 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.122 -3.885 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.239 -5.488 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.863 -5.073 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.387 -3.866 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.956 -5.721 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.796 -6.855 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.817 -6.614 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.530 -4.930 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.002 -5.653 5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.563 -6.261 4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.916 -7.274 4.594 1.00 0.00 H new ATOM 1098 N HIS A 70 9.014 -5.553 -2.913 1.00 0.00 N ATOM 1099 CA HIS A 70 9.576 -6.484 -3.877 1.00 0.00 C ATOM 1100 C HIS A 70 10.260 -5.706 -5.003 1.00 0.00 C ATOM 1101 O HIS A 70 11.435 -5.928 -5.291 1.00 0.00 O ATOM 1102 CB HIS A 70 8.504 -7.449 -4.390 1.00 0.00 C ATOM 1103 CG HIS A 70 9.059 -8.693 -5.040 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.349 -9.433 -5.970 1.00 0.00 N ATOM 1105 CD2 HIS A 70 10.261 -9.319 -4.887 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.100 -10.456 -6.352 1.00 0.00 C ATOM 1107 NE2 HIS A 70 10.284 -10.384 -5.678 1.00 0.00 N ATOM 0 H HIS A 70 7.996 -5.484 -2.930 1.00 0.00 H new ATOM 0 HA HIS A 70 10.335 -7.099 -3.394 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.864 -7.741 -3.557 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.873 -6.926 -5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.059 -9.001 -4.233 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.823 -11.213 -7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.059 -11.041 -5.767 1.00 0.00 H new ATOM 1115 N ALA A 71 9.495 -4.810 -5.609 1.00 0.00 N ATOM 1116 CA ALA A 71 10.013 -3.997 -6.697 1.00 0.00 C ATOM 1117 C ALA A 71 11.247 -3.233 -6.214 1.00 0.00 C ATOM 1118 O ALA A 71 12.216 -3.079 -6.956 1.00 0.00 O ATOM 1119 CB ALA A 71 8.912 -3.065 -7.207 1.00 0.00 C ATOM 0 H ALA A 71 8.521 -4.629 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 71 10.321 -4.625 -7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.300 -2.455 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.071 -3.658 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.579 -2.417 -6.396 1.00 0.00 H new ATOM 1125 N GLU A 72 11.172 -2.774 -4.974 1.00 0.00 N ATOM 1126 CA GLU A 72 12.271 -2.029 -4.383 1.00 0.00 C ATOM 1127 C GLU A 72 13.443 -2.965 -4.079 1.00 0.00 C ATOM 1128 O GLU A 72 14.595 -2.628 -4.346 1.00 0.00 O ATOM 1129 CB GLU A 72 11.818 -1.291 -3.122 1.00 0.00 C ATOM 1130 CG GLU A 72 12.134 0.203 -3.219 1.00 0.00 C ATOM 1131 CD GLU A 72 11.631 0.951 -1.982 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.472 0.774 -1.579 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.492 1.739 -1.434 1.00 0.00 O ATOM 0 H GLU A 72 10.367 -2.904 -4.361 1.00 0.00 H new ATOM 0 HA GLU A 72 12.605 -1.281 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.747 -1.431 -2.979 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.314 -1.716 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.210 0.345 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.671 0.619 -4.114 1.00 0.00 H new ATOM 1141 N GLN A 73 13.108 -4.121 -3.525 1.00 0.00 N ATOM 1142 CA GLN A 73 14.118 -5.107 -3.182 1.00 0.00 C ATOM 1143 C GLN A 73 15.059 -5.337 -4.367 1.00 0.00 C ATOM 1144 O GLN A 73 16.258 -5.539 -4.181 1.00 0.00 O ATOM 1145 CB GLN A 73 13.473 -6.419 -2.732 1.00 0.00 C ATOM 1146 CG GLN A 73 13.749 -6.686 -1.251 1.00 0.00 C ATOM 1147 CD GLN A 73 14.493 -8.009 -1.062 1.00 0.00 C ATOM 1148 OE1 GLN A 73 14.484 -8.884 -1.913 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.137 -8.107 0.098 1.00 0.00 N ATOM 0 H GLN A 73 12.151 -4.397 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 73 14.704 -4.723 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.397 -6.377 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.859 -7.243 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.339 -5.870 -0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.808 -6.712 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 73 15.104 -7.337 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.664 -8.952 0.319 1.00 0.00 H new ATOM 1158 N GLU A 74 14.481 -5.297 -5.558 1.00 0.00 N ATOM 1159 CA GLU A 74 15.253 -5.498 -6.772 1.00 0.00 C ATOM 1160 C GLU A 74 15.662 -4.151 -7.370 1.00 0.00 C ATOM 1161 O GLU A 74 15.889 -4.045 -8.574 1.00 0.00 O ATOM 1162 CB GLU A 74 14.470 -6.334 -7.787 1.00 0.00 C ATOM 1163 CG GLU A 74 15.145 -7.687 -8.019 1.00 0.00 C ATOM 1164 CD GLU A 74 15.920 -7.695 -9.338 1.00 0.00 C ATOM 1165 OE1 GLU A 74 16.576 -6.699 -9.677 1.00 0.00 O ATOM 1166 OE2 GLU A 74 15.826 -8.786 -10.020 1.00 0.00 O ATOM 0 H GLU A 74 13.486 -5.128 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 74 16.158 -6.050 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.452 -6.488 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.398 -5.793 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.823 -7.905 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.392 -8.475 -8.031 1.00 0.00 H new ATOM 1174 N ASN A 75 15.743 -3.154 -6.501 1.00 0.00 N ATOM 1175 CA ASN A 75 16.121 -1.817 -6.929 1.00 0.00 C ATOM 1176 C ASN A 75 16.938 -1.145 -5.824 1.00 0.00 C ATOM 1177 O ASN A 75 18.110 -0.825 -6.020 1.00 0.00 O ATOM 1178 CB ASN A 75 14.886 -0.954 -7.195 1.00 0.00 C ATOM 1179 CG ASN A 75 15.060 -0.126 -8.469 1.00 0.00 C ATOM 1180 OD1 ASN A 75 16.028 0.597 -8.643 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.072 -0.271 -9.348 1.00 0.00 N ATOM 0 H ASN A 75 15.553 -3.245 -5.503 1.00 0.00 H new ATOM 0 HA ASN A 75 16.702 -1.908 -7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.006 -1.591 -7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.712 -0.291 -6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.096 0.240 -10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.291 -0.893 -9.139 1.00 0.00 H new ATOM 1188 N MET A 76 16.288 -0.951 -4.686 1.00 0.00 N ATOM 1189 CA MET A 76 16.940 -0.323 -3.549 1.00 0.00 C ATOM 1190 C MET A 76 17.601 -1.369 -2.649 1.00 0.00 C ATOM 1191 O MET A 76 17.509 -2.567 -2.912 1.00 0.00 O ATOM 1192 CB MET A 76 15.909 0.467 -2.741 1.00 0.00 C ATOM 1193 CG MET A 76 15.250 1.548 -3.601 1.00 0.00 C ATOM 1194 SD MET A 76 16.487 2.687 -4.202 1.00 0.00 S ATOM 1195 CE MET A 76 15.887 2.948 -5.863 1.00 0.00 C ATOM 0 H MET A 76 15.316 -1.218 -4.527 1.00 0.00 H new ATOM 0 HA MET A 76 17.713 0.348 -3.923 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.147 -0.211 -2.355 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.392 0.927 -1.879 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.728 1.089 -4.440 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.503 2.085 -3.016 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.548 3.640 -6.384 1.00 0.00 H new ATOM 0 HE2 MET A 76 15.865 1.997 -6.395 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.881 3.366 -5.825 1.00 0.00 H new ATOM 1205 N THR A 77 18.254 -0.877 -1.606 1.00 0.00 N ATOM 1206 CA THR A 77 18.931 -1.755 -0.666 1.00 0.00 C ATOM 1207 C THR A 77 18.041 -2.020 0.551 1.00 0.00 C ATOM 1208 O THR A 77 16.976 -1.420 0.688 1.00 0.00 O ATOM 1209 CB THR A 77 20.275 -1.118 -0.308 1.00 0.00 C ATOM 1210 OG1 THR A 77 20.754 -1.904 0.779 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.120 0.284 0.285 1.00 0.00 C ATOM 0 H THR A 77 18.329 0.117 -1.391 1.00 0.00 H new ATOM 0 HA THR A 77 19.126 -2.733 -1.107 1.00 0.00 H new ATOM 0 HB THR A 77 20.901 -1.067 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 77 21.624 -1.561 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.104 0.690 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.624 0.932 -0.438 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.522 0.230 1.195 1.00 0.00 H new ATOM 1219 N LEU A 78 18.512 -2.918 1.403 1.00 0.00 N ATOM 1220 CA LEU A 78 17.773 -3.270 2.604 1.00 0.00 C ATOM 1221 C LEU A 78 17.478 -2.001 3.406 1.00 0.00 C ATOM 1222 O LEU A 78 16.429 -1.893 4.039 1.00 0.00 O ATOM 1223 CB LEU A 78 18.522 -4.340 3.400 1.00 0.00 C ATOM 1224 CG LEU A 78 17.883 -5.730 3.422 1.00 0.00 C ATOM 1225 CD1 LEU A 78 17.741 -6.291 2.005 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.662 -6.677 4.337 1.00 0.00 C ATOM 0 H LEU A 78 19.396 -3.413 1.286 1.00 0.00 H new ATOM 0 HA LEU A 78 16.812 -3.714 2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 78 19.528 -4.431 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.626 -3.993 4.428 1.00 0.00 H new ATOM 0 HG LEU A 78 16.878 -5.637 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.284 -7.280 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.112 -5.627 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 78 18.725 -6.367 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.187 -7.658 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.687 -6.769 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.668 -6.279 5.352 1.00 0.00 H new ATOM 1238 N THR A 79 18.421 -1.073 3.352 1.00 0.00 N ATOM 1239 CA THR A 79 18.275 0.185 4.066 1.00 0.00 C ATOM 1240 C THR A 79 16.987 0.892 3.642 1.00 0.00 C ATOM 1241 O THR A 79 16.132 1.187 4.476 1.00 0.00 O ATOM 1242 CB THR A 79 19.535 1.017 3.820 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.442 0.582 4.829 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.325 2.502 4.123 1.00 0.00 C ATOM 0 H THR A 79 19.289 -1.166 2.825 1.00 0.00 H new ATOM 0 HA THR A 79 18.180 0.022 5.140 1.00 0.00 H new ATOM 0 HB THR A 79 19.850 0.899 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.287 1.070 4.742 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.250 3.047 3.932 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.534 2.895 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.042 2.624 5.169 1.00 0.00 H new ATOM 1252 N GLU A 80 16.888 1.145 2.345 1.00 0.00 N ATOM 1253 CA GLU A 80 15.718 1.812 1.799 1.00 0.00 C ATOM 1254 C GLU A 80 14.466 0.964 2.033 1.00 0.00 C ATOM 1255 O GLU A 80 13.430 1.482 2.449 1.00 0.00 O ATOM 1256 CB GLU A 80 15.904 2.117 0.312 1.00 0.00 C ATOM 1257 CG GLU A 80 16.013 3.624 0.070 1.00 0.00 C ATOM 1258 CD GLU A 80 15.394 4.010 -1.274 1.00 0.00 C ATOM 1259 OE1 GLU A 80 16.088 4.561 -2.141 1.00 0.00 O ATOM 1260 OE2 GLU A 80 14.144 3.717 -1.403 1.00 0.00 O ATOM 0 H GLU A 80 17.599 0.900 1.656 1.00 0.00 H new ATOM 0 HA GLU A 80 15.591 2.762 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.802 1.620 -0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.064 1.714 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.510 4.162 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.061 3.924 0.092 1.00 0.00 H new ATOM 1268 N LEU A 81 14.602 -0.324 1.755 1.00 0.00 N ATOM 1269 CA LEU A 81 13.495 -1.249 1.930 1.00 0.00 C ATOM 1270 C LEU A 81 12.958 -1.130 3.357 1.00 0.00 C ATOM 1271 O LEU A 81 11.746 -1.146 3.572 1.00 0.00 O ATOM 1272 CB LEU A 81 13.917 -2.669 1.548 1.00 0.00 C ATOM 1273 CG LEU A 81 13.938 -2.982 0.050 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.654 -3.694 -0.378 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.194 -1.717 -0.771 1.00 0.00 C ATOM 0 H LEU A 81 15.462 -0.749 1.410 1.00 0.00 H new ATOM 0 HA LEU A 81 12.676 -0.994 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.913 -2.852 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.242 -3.371 2.036 1.00 0.00 H new ATOM 0 HG LEU A 81 14.765 -3.664 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.694 -3.905 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.555 -4.629 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.796 -3.056 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.204 -1.968 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.404 -0.991 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.157 -1.290 -0.490 1.00 0.00 H new ATOM 1287 N LYS A 82 13.885 -1.014 4.297 1.00 0.00 N ATOM 1288 CA LYS A 82 13.519 -0.892 5.698 1.00 0.00 C ATOM 1289 C LYS A 82 12.880 0.477 5.937 1.00 0.00 C ATOM 1290 O LYS A 82 11.973 0.608 6.758 1.00 0.00 O ATOM 1291 CB LYS A 82 14.728 -1.172 6.593 1.00 0.00 C ATOM 1292 CG LYS A 82 14.318 -1.963 7.837 1.00 0.00 C ATOM 1293 CD LYS A 82 15.200 -3.200 8.016 1.00 0.00 C ATOM 1294 CE LYS A 82 14.490 -4.263 8.856 1.00 0.00 C ATOM 1295 NZ LYS A 82 14.688 -5.606 8.267 1.00 0.00 N ATOM 0 H LYS A 82 14.889 -1.002 4.116 1.00 0.00 H new ATOM 0 HA LYS A 82 12.774 -1.642 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.478 -1.731 6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.189 -0.231 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.395 -1.327 8.719 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.274 -2.265 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.455 -3.613 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.136 -2.917 8.497 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.875 -4.246 9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.425 -4.038 8.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.200 -6.316 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.299 -5.623 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.704 -5.825 8.235 1.00 0.00 H new ATOM 1308 N LYS A 83 13.378 1.463 5.205 1.00 0.00 N ATOM 1309 CA LYS A 83 12.867 2.818 5.328 1.00 0.00 C ATOM 1310 C LYS A 83 11.395 2.842 4.913 1.00 0.00 C ATOM 1311 O LYS A 83 10.540 3.301 5.669 1.00 0.00 O ATOM 1312 CB LYS A 83 13.744 3.794 4.542 1.00 0.00 C ATOM 1313 CG LYS A 83 14.162 4.980 5.414 1.00 0.00 C ATOM 1314 CD LYS A 83 12.950 5.831 5.799 1.00 0.00 C ATOM 1315 CE LYS A 83 13.271 6.733 6.992 1.00 0.00 C ATOM 1316 NZ LYS A 83 12.554 8.022 6.875 1.00 0.00 N ATOM 0 H LYS A 83 14.130 1.351 4.525 1.00 0.00 H new ATOM 0 HA LYS A 83 12.912 3.150 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.631 3.277 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.201 4.154 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.657 4.617 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.886 5.593 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.645 6.441 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.109 5.183 6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.987 6.235 7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.345 6.911 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.783 8.622 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.845 8.503 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.529 7.848 6.850 1.00 0.00 H new ATOM 1329 N VAL A 84 11.143 2.342 3.712 1.00 0.00 N ATOM 1330 CA VAL A 84 9.789 2.301 3.187 1.00 0.00 C ATOM 1331 C VAL A 84 8.935 1.381 4.061 1.00 0.00 C ATOM 1332 O VAL A 84 7.841 1.756 4.479 1.00 0.00 O ATOM 1333 CB VAL A 84 9.810 1.878 1.716 1.00 0.00 C ATOM 1334 CG1 VAL A 84 10.753 2.767 0.903 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.191 0.403 1.576 1.00 0.00 C ATOM 0 H VAL A 84 11.854 1.962 3.087 1.00 0.00 H new ATOM 0 HA VAL A 84 9.337 3.292 3.220 1.00 0.00 H new ATOM 0 HB VAL A 84 8.804 2.004 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.749 2.445 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.419 3.803 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.764 2.687 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.199 0.128 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.182 0.241 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.464 -0.212 2.106 1.00 0.00 H new ATOM 1345 N ILE A 85 9.469 0.195 4.313 1.00 0.00 N ATOM 1346 CA ILE A 85 8.769 -0.782 5.131 1.00 0.00 C ATOM 1347 C ILE A 85 8.354 -0.131 6.451 1.00 0.00 C ATOM 1348 O ILE A 85 7.246 -0.355 6.936 1.00 0.00 O ATOM 1349 CB ILE A 85 9.620 -2.041 5.307 1.00 0.00 C ATOM 1350 CG1 ILE A 85 9.624 -2.884 4.030 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.162 -2.847 6.524 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.441 -3.854 4.009 1.00 0.00 C ATOM 0 H ILE A 85 10.378 -0.112 3.966 1.00 0.00 H new ATOM 0 HA ILE A 85 7.855 -1.110 4.635 1.00 0.00 H new ATOM 0 HB ILE A 85 10.649 -1.734 5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.579 -2.231 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.558 -3.442 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.783 -3.737 6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.254 -2.235 7.421 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.122 -3.144 6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.468 -4.441 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.503 -4.522 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.508 -3.291 4.053 1.00 0.00 H new ATOM 1364 N ALA A 86 9.265 0.662 6.996 1.00 0.00 N ATOM 1365 CA ALA A 86 9.006 1.347 8.251 1.00 0.00 C ATOM 1366 C ALA A 86 8.023 2.494 8.008 1.00 0.00 C ATOM 1367 O ALA A 86 7.332 2.929 8.928 1.00 0.00 O ATOM 1368 CB ALA A 86 10.329 1.830 8.851 1.00 0.00 C ATOM 0 H ALA A 86 10.183 0.845 6.591 1.00 0.00 H new ATOM 0 HA ALA A 86 8.549 0.669 8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.135 2.344 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.980 0.975 9.032 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.815 2.516 8.157 1.00 0.00 H new ATOM 1374 N ASP A 87 7.991 2.951 6.765 1.00 0.00 N ATOM 1375 CA ASP A 87 7.104 4.039 6.390 1.00 0.00 C ATOM 1376 C ASP A 87 5.698 3.485 6.152 1.00 0.00 C ATOM 1377 O ASP A 87 4.708 4.189 6.349 1.00 0.00 O ATOM 1378 CB ASP A 87 7.572 4.710 5.097 1.00 0.00 C ATOM 1379 CG ASP A 87 8.166 6.109 5.274 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.457 7.065 5.623 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.431 6.198 5.034 1.00 0.00 O ATOM 0 H ASP A 87 8.565 2.588 6.004 1.00 0.00 H new ATOM 0 HA ASP A 87 7.107 4.771 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.318 4.072 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.727 4.774 4.412 1.00 0.00 H new ATOM 1387 N ILE A 88 5.654 2.229 5.733 1.00 0.00 N ATOM 1388 CA ILE A 88 4.385 1.573 5.467 1.00 0.00 C ATOM 1389 C ILE A 88 3.896 0.881 6.741 1.00 0.00 C ATOM 1390 O ILE A 88 2.848 1.234 7.280 1.00 0.00 O ATOM 1391 CB ILE A 88 4.510 0.633 4.266 1.00 0.00 C ATOM 1392 CG1 ILE A 88 5.609 1.104 3.312 1.00 0.00 C ATOM 1393 CG2 ILE A 88 3.165 0.470 3.555 1.00 0.00 C ATOM 1394 CD1 ILE A 88 5.149 1.011 1.856 1.00 0.00 C ATOM 0 H ILE A 88 6.477 1.648 5.571 1.00 0.00 H new ATOM 0 HA ILE A 88 3.627 2.307 5.192 1.00 0.00 H new ATOM 0 HB ILE A 88 4.802 -0.351 4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.882 2.133 3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.503 0.497 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.282 -0.203 2.705 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.434 0.055 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.819 1.442 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.949 1.352 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.900 -0.023 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.269 1.638 1.712 1.00 0.00 H new ATOM 1406 N TYR A 89 4.678 -0.091 7.186 1.00 0.00 N ATOM 1407 CA TYR A 89 4.338 -0.835 8.387 1.00 0.00 C ATOM 1408 C TYR A 89 5.274 -2.031 8.574 1.00 0.00 C ATOM 1409 O TYR A 89 5.673 -2.670 7.602 1.00 0.00 O ATOM 1410 CB TYR A 89 2.912 -1.347 8.176 1.00 0.00 C ATOM 1411 CG TYR A 89 2.662 -1.937 6.786 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.190 -3.168 6.454 1.00 0.00 C ATOM 1413 CD2 TYR A 89 1.908 -1.238 5.865 1.00 0.00 C ATOM 1414 CE1 TYR A 89 2.955 -3.723 5.146 1.00 0.00 C ATOM 1415 CE2 TYR A 89 1.673 -1.794 4.558 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.208 -3.009 4.263 1.00 0.00 C ATOM 1417 OH TYR A 89 1.985 -3.533 3.028 1.00 0.00 O ATOM 0 H TYR A 89 5.546 -0.381 6.736 1.00 0.00 H new ATOM 0 HA TYR A 89 4.429 -0.202 9.270 1.00 0.00 H new ATOM 0 HB2 TYR A 89 2.695 -2.107 8.927 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.214 -0.527 8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 89 3.779 -3.715 7.175 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.495 -0.275 6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 89 3.363 -4.685 4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.085 -1.258 3.828 1.00 0.00 H new ATOM 0 HH TYR A 89 1.435 -2.914 2.504 1.00 0.00 H new ATOM 1427 N PRO A 90 5.605 -2.304 9.865 1.00 0.00 N ATOM 1428 CA PRO A 90 6.487 -3.412 10.192 1.00 0.00 C ATOM 1429 C PRO A 90 5.758 -4.751 10.059 1.00 0.00 C ATOM 1430 O PRO A 90 4.660 -4.812 9.507 1.00 0.00 O ATOM 1431 CB PRO A 90 6.960 -3.132 11.609 1.00 0.00 C ATOM 1432 CG PRO A 90 5.972 -2.134 12.190 1.00 0.00 C ATOM 1433 CD PRO A 90 5.151 -1.569 11.042 1.00 0.00 C ATOM 0 HA PRO A 90 7.334 -3.491 9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.984 -4.047 12.201 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.971 -2.726 11.610 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.324 -2.619 12.920 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.499 -1.335 12.712 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.084 -1.712 11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.315 -0.498 10.927 1.00 0.00 H new ATOM 1441 N GLY A 91 6.397 -5.790 10.575 1.00 0.00 N ATOM 1442 CA GLY A 91 5.824 -7.124 10.521 1.00 0.00 C ATOM 1443 C GLY A 91 6.007 -7.744 9.134 1.00 0.00 C ATOM 1444 O GLY A 91 5.449 -7.255 8.153 1.00 0.00 O ATOM 0 H GLY A 91 7.307 -5.735 11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.297 -7.757 11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.763 -7.078 10.766 1.00 0.00 H new ATOM 1448 N GLN A 92 6.791 -8.811 9.097 1.00 0.00 N ATOM 1449 CA GLN A 92 7.055 -9.503 7.846 1.00 0.00 C ATOM 1450 C GLN A 92 6.481 -10.920 7.893 1.00 0.00 C ATOM 1451 O GLN A 92 7.229 -11.896 7.917 1.00 0.00 O ATOM 1452 CB GLN A 92 8.553 -9.528 7.539 1.00 0.00 C ATOM 1453 CG GLN A 92 8.804 -9.505 6.030 1.00 0.00 C ATOM 1454 CD GLN A 92 9.517 -10.779 5.573 1.00 0.00 C ATOM 1455 OE1 GLN A 92 9.847 -11.652 6.359 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.734 -10.837 4.262 1.00 0.00 N ATOM 0 H GLN A 92 7.252 -9.214 9.913 1.00 0.00 H new ATOM 0 HA GLN A 92 6.562 -8.959 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.038 -8.670 8.005 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.002 -10.422 7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.856 -9.405 5.502 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.406 -8.634 5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.432 -10.071 3.661 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.203 -11.648 3.858 1.00 0.00 H new ATOM 1465 N THR A 93 5.157 -10.989 7.903 1.00 0.00 N ATOM 1466 CA THR A 93 4.475 -12.271 7.945 1.00 0.00 C ATOM 1467 C THR A 93 3.204 -12.226 7.095 1.00 0.00 C ATOM 1468 O THR A 93 2.603 -11.166 6.924 1.00 0.00 O ATOM 1469 CB THR A 93 4.212 -12.618 9.412 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.164 -11.733 9.797 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.379 -12.231 10.323 1.00 0.00 C ATOM 0 H THR A 93 4.539 -10.178 7.883 1.00 0.00 H new ATOM 0 HA THR A 93 5.090 -13.061 7.514 1.00 0.00 H new ATOM 0 HB THR A 93 4.019 -13.687 9.502 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.930 -11.892 10.735 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.141 -12.499 11.353 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.278 -12.762 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.551 -11.157 10.258 1.00 0.00 H new ATOM 1479 N GLN A 94 2.831 -13.391 6.584 1.00 0.00 N ATOM 1480 CA GLN A 94 1.642 -13.498 5.756 1.00 0.00 C ATOM 1481 C GLN A 94 0.505 -12.664 6.348 1.00 0.00 C ATOM 1482 O GLN A 94 0.354 -12.591 7.567 1.00 0.00 O ATOM 1483 CB GLN A 94 1.221 -14.960 5.589 1.00 0.00 C ATOM 1484 CG GLN A 94 2.034 -15.642 4.487 1.00 0.00 C ATOM 1485 CD GLN A 94 2.079 -17.157 4.697 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.724 -17.666 5.599 1.00 0.00 O ATOM 1487 NE2 GLN A 94 1.359 -17.847 3.817 1.00 0.00 N ATOM 0 H GLN A 94 3.331 -14.268 6.728 1.00 0.00 H new ATOM 0 HA GLN A 94 1.876 -13.106 4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.360 -15.492 6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.159 -15.011 5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.594 -15.419 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.048 -15.242 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.842 -17.358 3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.324 -18.865 3.873 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.266 -12.056 5.458 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.385 -11.230 5.878 1.00 0.00 C ATOM 1498 C PHE A 95 -2.376 -11.025 4.731 1.00 0.00 C ATOM 1499 O PHE A 95 -2.195 -11.572 3.644 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.810 -9.872 6.287 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.533 -9.740 7.786 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.485 -10.102 8.688 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.665 -9.262 8.217 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.228 -9.980 10.079 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.922 -9.139 9.608 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.030 -9.501 10.510 1.00 0.00 C ATOM 0 H PHE A 95 -0.138 -12.119 4.448 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.915 -11.712 6.699 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.117 -9.702 5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.506 -9.089 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.436 -10.482 8.346 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.421 -8.976 7.501 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.984 -10.268 10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.873 -8.758 9.950 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.165 -9.408 11.568 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.403 -10.236 5.011 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.423 -9.952 4.016 1.00 0.00 C ATOM 1518 C TYR A 96 -3.938 -8.897 3.020 1.00 0.00 C ATOM 1519 O TYR A 96 -3.395 -7.867 3.415 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.621 -9.395 4.788 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.884 -10.251 4.677 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.910 -11.518 5.224 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.999 -9.756 4.030 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.099 -12.323 5.120 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -9.188 -10.561 3.926 1.00 0.00 C ATOM 1526 CZ TYR A 96 -9.179 -11.805 4.476 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.302 -12.566 4.378 1.00 0.00 O ATOM 0 H TYR A 96 -3.551 -9.784 5.914 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.670 -10.851 3.452 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.350 -9.299 5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.841 -8.392 4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.038 -11.906 5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.979 -8.765 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -8.133 -13.316 5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.067 -10.186 3.423 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.993 -12.068 3.894 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.152 -9.191 1.745 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.744 -8.281 0.689 1.00 0.00 C ATOM 1539 C VAL A 97 -4.983 -7.785 -0.058 1.00 0.00 C ATOM 1540 O VAL A 97 -5.896 -8.561 -0.337 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.727 -8.965 -0.227 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.471 -8.129 -1.483 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.422 -9.249 0.518 1.00 0.00 C ATOM 0 H VAL A 97 -4.603 -10.047 1.420 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.247 -7.407 1.109 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.148 -9.920 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.745 -8.638 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.404 -8.001 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.082 -7.152 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.717 -9.735 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.995 -8.312 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.622 -9.903 1.367 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.976 -6.495 -0.361 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.089 -5.887 -1.071 1.00 0.00 C ATOM 1555 C ILE A 98 -5.555 -5.108 -2.275 1.00 0.00 C ATOM 1556 O ILE A 98 -4.783 -4.164 -2.116 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.934 -5.040 -0.117 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.985 -5.670 1.276 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.332 -4.801 -0.689 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.531 -7.098 1.213 1.00 0.00 C ATOM 0 H ILE A 98 -4.217 -5.854 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.759 -6.654 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.458 -4.065 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.986 -5.678 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.613 -5.065 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.912 -4.197 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.251 -4.278 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.831 -5.758 -0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.557 -7.522 2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.539 -7.084 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.887 -7.706 0.578 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.988 -5.534 -3.453 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.564 -4.888 -4.684 1.00 0.00 C ATOM 1574 C GLU A 99 -6.592 -3.841 -5.116 1.00 0.00 C ATOM 1575 O GLU A 99 -7.796 -4.060 -4.989 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.331 -5.918 -5.791 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.196 -5.479 -6.718 1.00 0.00 C ATOM 1578 CD GLU A 99 -3.872 -6.569 -7.742 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -2.695 -6.906 -7.938 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.896 -7.073 -8.345 1.00 0.00 O ATOM 0 H GLU A 99 -6.628 -6.318 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.616 -4.382 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.091 -6.885 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.246 -6.050 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.478 -4.562 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.307 -5.253 -6.129 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.080 -2.727 -5.617 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.940 -1.646 -6.069 1.00 0.00 C ATOM 1590 C PHE A 100 -6.295 -0.880 -7.227 1.00 0.00 C ATOM 1591 O PHE A 100 -5.118 -1.076 -7.526 1.00 0.00 O ATOM 1592 CB PHE A 100 -7.123 -0.695 -4.884 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.858 0.079 -4.506 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -5.371 1.035 -5.342 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -5.221 -0.189 -3.335 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -4.197 1.753 -4.991 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -4.048 0.529 -2.984 1.00 0.00 C ATOM 1598 CZ PHE A 100 -3.560 1.485 -3.819 1.00 0.00 C ATOM 0 H PHE A 100 -5.081 -2.549 -5.720 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.891 -2.048 -6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.914 0.016 -5.121 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.458 -1.268 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.877 1.248 -6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.608 -0.949 -2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.810 2.512 -5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.543 0.316 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.667 2.031 -3.552 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.095 -0.025 -7.847 1.00 0.00 N ATOM 1609 CA LYS A 101 -6.618 0.770 -8.965 1.00 0.00 C ATOM 1610 C LYS A 101 -6.932 2.245 -8.707 1.00 0.00 C ATOM 1611 O LYS A 101 -7.857 2.566 -7.963 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.189 0.241 -10.282 1.00 0.00 C ATOM 1613 CG LYS A 101 -6.384 -0.958 -10.786 1.00 0.00 C ATOM 1614 CD LYS A 101 -6.427 -1.045 -12.313 1.00 0.00 C ATOM 1615 CE LYS A 101 -5.172 -1.728 -12.859 1.00 0.00 C ATOM 1616 NZ LYS A 101 -4.821 -1.180 -14.188 1.00 0.00 N ATOM 0 H LYS A 101 -8.071 0.134 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.535 0.685 -9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.230 -0.049 -10.141 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.177 1.032 -11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.350 -0.872 -10.452 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.783 -1.876 -10.355 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.312 -1.600 -12.624 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.514 -0.044 -12.736 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.342 -1.582 -12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.339 -2.802 -12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.967 -1.654 -14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.608 -1.341 -14.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.641 -0.159 -14.106 1.00 0.00 H new ATOM 1629 N CYS A 102 -6.144 3.104 -9.336 1.00 0.00 N ATOM 1630 CA CYS A 102 -6.326 4.538 -9.184 1.00 0.00 C ATOM 1631 C CYS A 102 -7.490 4.971 -10.079 1.00 0.00 C ATOM 1632 O CYS A 102 -7.342 5.057 -11.297 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.044 5.309 -9.503 1.00 0.00 C ATOM 1634 SG CYS A 102 -5.428 7.077 -9.777 1.00 0.00 S ATOM 0 H CYS A 102 -5.377 2.835 -9.953 1.00 0.00 H new ATOM 0 HA CYS A 102 -6.561 4.769 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -4.334 5.206 -8.682 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.569 4.890 -10.390 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.332 7.723 -10.045 1.00 0.00 H new ATOM 1640 N LEU A 103 -8.620 5.233 -9.439 1.00 0.00 N ATOM 1641 CA LEU A 103 -9.808 5.655 -10.162 1.00 0.00 C ATOM 1642 C LEU A 103 -9.414 6.680 -11.228 1.00 0.00 C ATOM 1643 O LEU A 103 -10.041 6.755 -12.284 1.00 0.00 O ATOM 1644 CB LEU A 103 -10.876 6.160 -9.189 1.00 0.00 C ATOM 1645 CG LEU A 103 -10.406 7.178 -8.147 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -10.388 8.592 -8.732 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -11.256 7.094 -6.878 1.00 0.00 C ATOM 0 H LEU A 103 -8.738 5.161 -8.428 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.257 4.809 -10.683 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.684 6.608 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.297 5.302 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.382 6.932 -7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.051 9.296 -7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.709 8.625 -9.584 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -11.392 8.864 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.902 7.827 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.298 7.300 -7.124 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.175 6.094 -6.451 1.00 0.00 H new