USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1013 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 14 LYS NZ :NH3+ 160:sc= -0.0929 (180deg=0) USER MOD Set 1.2: A 61 MET CE :methyl -145:sc= -1.55 (180deg=-1.74) USER MOD Set 2.1: A 23 MET CE :methyl -178:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 MET CE :methyl -150:sc= -0.629 (180deg=-2.15!) USER MOD Set 3.1: A 35 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.9!) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.101 K(o=-0.1,f=-3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -46:sc= 0.0172 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 30 ASN : amide:sc=-0.00809 K(o=-0.0081,f=-1.2) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0701 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.65 X(o=-1.6,f=-1.4) USER MOD Single : A 48 THR OG1 : rot 93:sc= -0.832 USER MOD Single : A 56 SER OG : rot -49:sc= 0.0278 USER MOD Single : A 57 THR OG1 : rot -35:sc= 0.199 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 1.3 (180deg=1.29) USER MOD Single : A 60 ASN : amide:sc= -0.0538 K(o=-0.054,f=-3.2!) USER MOD Single : A 67 ASN : amide:sc=-0.00525 K(o=-0.0053,f=-0.51) USER MOD Single : A 69 HIS : no HD1:sc=-0.000638 X(o=-0.00064,f=-0.044) USER MOD Single : A 70 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.3) USER MOD Single : A 72 ASN : amide:sc= -0.168 K(o=-0.17,f=-4.1!) USER MOD Single : A 74 MET CE :methyl -111:sc= -0.174 (180deg=-0.498) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.0177 (180deg=-0.244) USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 1.25 (180deg=0.387) USER MOD Single : A 80 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-0.084) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -171:sc= 0 (180deg=-0.0144) USER MOD Single : A 88 GLN : amide:sc= -0.755 K(o=-0.75,f=-0.12) USER MOD Single : A 89 GLN : amide:sc= -0.0192 K(o=-0.019,f=-2.1!) USER MOD Single : A 95 HIS : no HE2:sc= -0.0442 X(o=-0.044,f=-0.3) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc=-0.00179 USER MOD Single : A 101 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 104 ASN : amide:sc= -0.44 K(o=-0.44,f=-8.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 116 THR OG1 : rot 98:sc= 1.17 USER MOD Single : A 119 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00318) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -144:sc= 1.24 (180deg=-0.0654) USER MOD Single : A 126 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 130 SER OG : rot 180:sc= 0.0625 USER MOD Single : A 131 MET CE :methyl -158:sc= -0.798 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 0.098 7.528 10.821 1.00 0.00 N ATOM 114 CA LEU A 8 0.269 7.160 9.408 1.00 0.00 C ATOM 115 C LEU A 8 0.656 8.364 8.514 1.00 0.00 C ATOM 116 O LEU A 8 -0.117 9.301 8.359 1.00 0.00 O ATOM 117 CB LEU A 8 -0.984 6.349 9.008 1.00 0.00 C ATOM 118 CG LEU A 8 -1.197 5.966 7.538 1.00 0.00 C ATOM 119 CD1 LEU A 8 -2.048 7.036 6.844 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.095 5.647 6.782 1.00 0.00 C ATOM 0 HA LEU A 8 1.135 6.517 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.975 5.426 9.588 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.857 6.918 9.327 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.743 5.023 7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.198 6.761 5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.015 7.111 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.537 7.998 6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.142 5.386 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.749 6.519 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.600 4.808 7.262 1.00 0.00 H new ATOM 132 N SER A 9 1.890 8.406 7.984 1.00 0.00 N ATOM 133 CA SER A 9 2.421 9.608 7.314 1.00 0.00 C ATOM 134 C SER A 9 2.088 9.698 5.816 1.00 0.00 C ATOM 135 O SER A 9 2.102 10.797 5.249 1.00 0.00 O ATOM 136 CB SER A 9 3.932 9.707 7.529 1.00 0.00 C ATOM 137 OG SER A 9 4.238 9.633 8.906 1.00 0.00 O ATOM 0 H SER A 9 2.540 7.621 8.006 1.00 0.00 H new ATOM 0 HA SER A 9 1.917 10.455 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.436 8.902 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.304 10.645 7.117 1.00 0.00 H new ATOM 0 HG SER A 9 5.208 9.696 9.029 1.00 0.00 H new ATOM 143 N LEU A 10 1.729 8.589 5.162 1.00 0.00 N ATOM 144 CA LEU A 10 0.926 8.635 3.943 1.00 0.00 C ATOM 145 C LEU A 10 -0.464 9.183 4.310 1.00 0.00 C ATOM 146 O LEU A 10 -0.738 9.472 5.472 1.00 0.00 O ATOM 147 CB LEU A 10 0.863 7.251 3.254 1.00 0.00 C ATOM 148 CG LEU A 10 2.140 6.771 2.522 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.831 5.624 1.551 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.802 7.908 1.737 1.00 0.00 C ATOM 0 H LEU A 10 1.984 7.647 5.460 1.00 0.00 H new ATOM 0 HA LEU A 10 1.386 9.299 3.211 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.606 6.508 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.046 7.268 2.533 1.00 0.00 H new ATOM 0 HG LEU A 10 2.823 6.421 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.749 5.311 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.412 4.783 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.112 5.962 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.695 7.533 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.103 8.292 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.079 8.710 2.422 1.00 0.00 H new ATOM 162 N ASN A 11 -1.385 9.309 3.354 1.00 0.00 N ATOM 163 CA ASN A 11 -2.737 9.782 3.626 1.00 0.00 C ATOM 164 C ASN A 11 -3.708 8.749 3.089 1.00 0.00 C ATOM 165 O ASN A 11 -4.140 8.846 1.951 1.00 0.00 O ATOM 166 CB ASN A 11 -2.978 11.172 3.015 1.00 0.00 C ATOM 167 CG ASN A 11 -4.181 11.816 3.691 1.00 0.00 C ATOM 168 OD1 ASN A 11 -5.187 11.161 3.963 1.00 0.00 O ATOM 169 ND2 ASN A 11 -4.070 13.090 4.018 1.00 0.00 N ATOM 0 H ASN A 11 -1.213 9.086 2.374 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.886 9.898 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.095 11.797 3.145 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.152 11.085 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.831 13.558 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.223 13.606 3.779 1.00 0.00 H new ATOM 176 N PHE A 12 -3.994 7.687 3.830 1.00 0.00 N ATOM 177 CA PHE A 12 -4.882 6.653 3.330 1.00 0.00 C ATOM 178 C PHE A 12 -6.332 7.121 3.400 1.00 0.00 C ATOM 179 O PHE A 12 -7.048 6.924 2.426 1.00 0.00 O ATOM 180 CB PHE A 12 -4.658 5.360 4.098 1.00 0.00 C ATOM 181 CG PHE A 12 -3.479 4.569 3.592 1.00 0.00 C ATOM 182 CD1 PHE A 12 -2.170 5.006 3.840 1.00 0.00 C ATOM 183 CD2 PHE A 12 -3.689 3.362 2.925 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.071 4.234 3.439 1.00 0.00 C ATOM 185 CE2 PHE A 12 -2.584 2.568 2.567 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.276 3.005 2.808 1.00 0.00 C ATOM 0 H PHE A 12 -3.628 7.522 4.768 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.658 6.456 2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.507 5.592 5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.556 4.745 4.032 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.007 5.947 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.692 3.040 2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.067 4.589 3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.747 1.608 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.434 2.398 2.509 1.00 0.00 H new ATOM 196 N GLY A 13 -6.776 7.747 4.502 1.00 0.00 N ATOM 197 CA GLY A 13 -8.178 8.125 4.706 1.00 0.00 C ATOM 198 C GLY A 13 -8.769 8.888 3.518 1.00 0.00 C ATOM 199 O GLY A 13 -9.907 8.627 3.131 1.00 0.00 O ATOM 0 H GLY A 13 -6.167 8.005 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.769 7.227 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.256 8.741 5.602 1.00 0.00 H new ATOM 203 N LYS A 14 -8.007 9.797 2.900 1.00 0.00 N ATOM 204 CA LYS A 14 -8.472 10.539 1.724 1.00 0.00 C ATOM 205 C LYS A 14 -8.785 9.614 0.552 1.00 0.00 C ATOM 206 O LYS A 14 -9.926 9.556 0.108 1.00 0.00 O ATOM 207 CB LYS A 14 -7.435 11.619 1.357 1.00 0.00 C ATOM 208 CG LYS A 14 -7.733 12.995 1.940 1.00 0.00 C ATOM 209 CD LYS A 14 -8.873 13.694 1.172 1.00 0.00 C ATOM 210 CE LYS A 14 -8.375 14.925 0.391 1.00 0.00 C ATOM 211 NZ LYS A 14 -8.000 14.703 -1.021 1.00 0.00 N ATOM 0 H LYS A 14 -7.061 10.037 3.197 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.412 11.033 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.453 11.296 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.381 11.701 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.007 12.896 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.835 13.611 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.330 12.987 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.648 14.000 1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.154 15.686 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.510 15.333 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.010 15.610 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.046 14.292 -1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.679 14.051 -1.462 1.00 0.00 H new ATOM 225 N ALA A 15 -7.795 8.870 0.070 1.00 0.00 N ATOM 226 CA ALA A 15 -7.964 7.894 -0.985 1.00 0.00 C ATOM 227 C ALA A 15 -9.064 6.903 -0.614 1.00 0.00 C ATOM 228 O ALA A 15 -9.914 6.646 -1.446 1.00 0.00 O ATOM 229 CB ALA A 15 -6.629 7.232 -1.236 1.00 0.00 C ATOM 0 H ALA A 15 -6.836 8.935 0.413 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.286 8.369 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.733 6.491 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.900 7.985 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.289 6.742 -0.324 1.00 0.00 H new ATOM 235 N LEU A 16 -9.131 6.404 0.624 1.00 0.00 N ATOM 236 CA LEU A 16 -10.221 5.535 1.083 1.00 0.00 C ATOM 237 C LEU A 16 -11.603 6.184 0.905 1.00 0.00 C ATOM 238 O LEU A 16 -12.516 5.484 0.483 1.00 0.00 O ATOM 239 CB LEU A 16 -10.008 5.065 2.535 1.00 0.00 C ATOM 240 CG LEU A 16 -8.783 4.165 2.783 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.661 3.956 4.291 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.867 2.803 2.089 1.00 0.00 C ATOM 0 H LEU A 16 -8.429 6.592 1.339 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.198 4.652 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.921 5.946 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.900 4.527 2.856 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.911 4.665 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.801 3.321 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.530 4.920 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.566 3.478 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.969 2.226 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.743 2.264 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.949 2.948 1.012 1.00 0.00 H new ATOM 254 N ASP A 17 -11.770 7.485 1.172 1.00 0.00 N ATOM 255 CA ASP A 17 -13.008 8.273 0.960 1.00 0.00 C ATOM 256 C ASP A 17 -13.437 8.388 -0.509 1.00 0.00 C ATOM 257 O ASP A 17 -14.609 8.632 -0.792 1.00 0.00 O ATOM 258 CB ASP A 17 -12.830 9.714 1.482 1.00 0.00 C ATOM 259 CG ASP A 17 -14.168 10.454 1.661 1.00 0.00 C ATOM 260 OD1 ASP A 17 -15.173 9.855 2.110 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.196 11.683 1.412 1.00 0.00 O ATOM 0 H ASP A 17 -11.015 8.051 1.560 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.777 7.726 1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.304 9.687 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.202 10.272 0.788 1.00 0.00 H new ATOM 266 N GLU A 18 -12.513 8.204 -1.450 1.00 0.00 N ATOM 267 CA GLU A 18 -12.797 8.205 -2.882 1.00 0.00 C ATOM 268 C GLU A 18 -13.003 6.753 -3.305 1.00 0.00 C ATOM 269 O GLU A 18 -14.072 6.408 -3.791 1.00 0.00 O ATOM 270 CB GLU A 18 -11.693 8.939 -3.676 1.00 0.00 C ATOM 271 CG GLU A 18 -11.521 10.403 -3.215 1.00 0.00 C ATOM 272 CD GLU A 18 -11.589 11.424 -4.359 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.531 11.724 -4.967 1.00 0.00 O ATOM 274 OE2 GLU A 18 -12.676 11.981 -4.619 1.00 0.00 O ATOM 0 H GLU A 18 -11.529 8.047 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.705 8.765 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.748 8.409 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.938 8.920 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.295 10.638 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.562 10.504 -2.707 1.00 0.00 H new ATOM 281 N CYS A 19 -12.043 5.876 -3.008 1.00 0.00 N ATOM 282 CA CYS A 19 -12.012 4.451 -3.294 1.00 0.00 C ATOM 283 C CYS A 19 -13.287 3.737 -2.834 1.00 0.00 C ATOM 284 O CYS A 19 -13.809 2.856 -3.524 1.00 0.00 O ATOM 285 CB CYS A 19 -10.799 3.858 -2.574 1.00 0.00 C ATOM 286 SG CYS A 19 -9.186 4.389 -3.209 1.00 0.00 S ATOM 0 H CYS A 19 -11.199 6.175 -2.520 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.944 4.310 -4.373 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.860 4.121 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.856 2.771 -2.636 1.00 0.00 H new ATOM 291 N LYS A 20 -13.798 4.124 -1.658 1.00 0.00 N ATOM 292 CA LYS A 20 -15.070 3.644 -1.137 1.00 0.00 C ATOM 293 C LYS A 20 -16.166 3.937 -2.150 1.00 0.00 C ATOM 294 O LYS A 20 -16.932 3.048 -2.471 1.00 0.00 O ATOM 295 CB LYS A 20 -15.366 4.188 0.282 1.00 0.00 C ATOM 296 CG LYS A 20 -15.548 5.713 0.396 1.00 0.00 C ATOM 297 CD LYS A 20 -16.985 6.221 0.372 1.00 0.00 C ATOM 298 CE LYS A 20 -17.702 5.877 1.666 1.00 0.00 C ATOM 299 NZ LYS A 20 -19.163 5.803 1.482 1.00 0.00 N ATOM 0 H LYS A 20 -13.329 4.787 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.023 2.563 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.270 3.705 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.551 3.889 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.082 6.046 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.003 6.185 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.991 7.301 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.517 5.781 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.335 4.922 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.469 6.628 2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.615 5.566 2.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.518 6.722 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.388 5.069 0.780 1.00 0.00 H new ATOM 313 N LYS A 21 -16.229 5.139 -2.719 1.00 0.00 N ATOM 314 CA LYS A 21 -17.255 5.527 -3.678 1.00 0.00 C ATOM 315 C LYS A 21 -17.104 4.728 -4.967 1.00 0.00 C ATOM 316 O LYS A 21 -18.116 4.294 -5.520 1.00 0.00 O ATOM 317 CB LYS A 21 -17.198 7.044 -3.936 1.00 0.00 C ATOM 318 CG LYS A 21 -17.370 7.819 -2.621 1.00 0.00 C ATOM 319 CD LYS A 21 -17.183 9.329 -2.736 1.00 0.00 C ATOM 320 CE LYS A 21 -17.311 9.957 -1.339 1.00 0.00 C ATOM 321 NZ LYS A 21 -18.558 10.731 -1.179 1.00 0.00 N ATOM 0 H LYS A 21 -15.557 5.881 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.237 5.300 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -16.246 7.305 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.981 7.329 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.366 7.620 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.656 7.434 -1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.206 9.556 -3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.930 9.751 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.277 9.170 -0.586 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.457 10.609 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.596 11.134 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.581 11.500 -1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.376 10.105 -1.325 1.00 0.00 H new ATOM 335 N GLU A 22 -15.871 4.526 -5.433 1.00 0.00 N ATOM 336 CA GLU A 22 -15.580 3.861 -6.699 1.00 0.00 C ATOM 337 C GLU A 22 -16.106 2.428 -6.660 1.00 0.00 C ATOM 338 O GLU A 22 -16.968 2.055 -7.462 1.00 0.00 O ATOM 339 CB GLU A 22 -14.075 3.886 -7.026 1.00 0.00 C ATOM 340 CG GLU A 22 -13.483 5.295 -6.975 1.00 0.00 C ATOM 341 CD GLU A 22 -11.976 5.352 -7.237 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.347 4.287 -7.435 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.434 6.476 -7.154 1.00 0.00 O ATOM 0 H GLU A 22 -15.035 4.825 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.087 4.407 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.544 3.247 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.916 3.465 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.992 5.918 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.687 5.727 -5.995 1.00 0.00 H new ATOM 350 N MET A 23 -15.610 1.633 -5.706 1.00 0.00 N ATOM 351 CA MET A 23 -15.913 0.209 -5.619 1.00 0.00 C ATOM 352 C MET A 23 -17.185 -0.061 -4.811 1.00 0.00 C ATOM 353 O MET A 23 -17.567 -1.215 -4.687 1.00 0.00 O ATOM 354 CB MET A 23 -14.781 -0.554 -4.923 1.00 0.00 C ATOM 355 CG MET A 23 -13.330 -0.195 -5.233 1.00 0.00 C ATOM 356 SD MET A 23 -12.342 -1.592 -5.841 1.00 0.00 S ATOM 357 CE MET A 23 -12.797 -1.589 -7.596 1.00 0.00 C ATOM 0 H MET A 23 -14.985 1.965 -4.972 1.00 0.00 H new ATOM 0 HA MET A 23 -16.042 -0.128 -6.648 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.923 -0.440 -3.848 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.912 -1.612 -5.151 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.314 0.601 -5.978 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.864 0.203 -4.332 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.298 -2.415 -8.103 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.877 -1.703 -7.692 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.490 -0.647 -8.050 1.00 0.00 H new ATOM 367 N THR A 24 -17.782 0.974 -4.209 1.00 0.00 N ATOM 368 CA THR A 24 -18.807 0.925 -3.168 1.00 0.00 C ATOM 369 C THR A 24 -18.384 0.122 -1.917 1.00 0.00 C ATOM 370 O THR A 24 -19.219 -0.494 -1.250 1.00 0.00 O ATOM 371 CB THR A 24 -20.185 0.636 -3.778 1.00 0.00 C ATOM 372 OG1 THR A 24 -21.215 1.067 -2.920 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.394 -0.823 -4.152 1.00 0.00 C ATOM 0 H THR A 24 -17.542 1.934 -4.456 1.00 0.00 H new ATOM 0 HA THR A 24 -18.920 1.915 -2.727 1.00 0.00 H new ATOM 0 HB THR A 24 -20.221 1.204 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.024 0.771 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.390 -0.951 -4.577 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.645 -1.121 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.297 -1.444 -3.262 1.00 0.00 H new ATOM 381 N LEU A 25 -17.094 0.163 -1.549 1.00 0.00 N ATOM 382 CA LEU A 25 -16.604 -0.425 -0.286 1.00 0.00 C ATOM 383 C LEU A 25 -17.379 0.143 0.925 1.00 0.00 C ATOM 384 O LEU A 25 -18.131 1.115 0.804 1.00 0.00 O ATOM 385 CB LEU A 25 -15.089 -0.184 -0.035 1.00 0.00 C ATOM 386 CG LEU A 25 -14.112 -0.307 -1.220 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.686 0.078 -0.802 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.109 -1.750 -1.730 1.00 0.00 C ATOM 0 H LEU A 25 -16.364 0.600 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.769 -1.497 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.979 0.817 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.766 -0.886 0.734 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.441 0.373 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.018 -0.018 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.676 1.109 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.350 -0.583 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.418 -1.838 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.794 -2.418 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.113 -2.023 -2.057 1.00 0.00 H new ATOM 400 N THR A 26 -17.127 -0.404 2.116 1.00 0.00 N ATOM 401 CA THR A 26 -17.828 -0.121 3.366 1.00 0.00 C ATOM 402 C THR A 26 -17.253 1.119 4.067 1.00 0.00 C ATOM 403 O THR A 26 -16.403 1.811 3.498 1.00 0.00 O ATOM 404 CB THR A 26 -17.743 -1.397 4.233 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.404 -1.816 4.343 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.616 -2.506 3.642 1.00 0.00 C ATOM 0 H THR A 26 -16.387 -1.095 2.239 1.00 0.00 H new ATOM 0 HA THR A 26 -18.874 0.123 3.180 1.00 0.00 H new ATOM 0 HB THR A 26 -18.117 -1.171 5.231 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.358 -2.624 4.895 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.544 -3.397 4.266 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.653 -2.172 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.274 -2.740 2.634 1.00 0.00 H new ATOM 414 N ASP A 27 -17.778 1.492 5.243 1.00 0.00 N ATOM 415 CA ASP A 27 -17.101 2.472 6.106 1.00 0.00 C ATOM 416 C ASP A 27 -16.113 1.759 7.025 1.00 0.00 C ATOM 417 O ASP A 27 -15.093 2.331 7.398 1.00 0.00 O ATOM 418 CB ASP A 27 -18.085 3.301 6.948 1.00 0.00 C ATOM 419 CG ASP A 27 -17.417 4.582 7.487 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.453 5.617 6.767 1.00 0.00 O ATOM 421 OD2 ASP A 27 -16.879 4.548 8.614 1.00 0.00 O ATOM 0 H ASP A 27 -18.658 1.136 5.615 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.573 3.164 5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.951 3.567 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.451 2.700 7.781 1.00 0.00 H new ATOM 426 N ALA A 28 -16.375 0.489 7.358 1.00 0.00 N ATOM 427 CA ALA A 28 -15.525 -0.282 8.252 1.00 0.00 C ATOM 428 C ALA A 28 -14.100 -0.451 7.718 1.00 0.00 C ATOM 429 O ALA A 28 -13.189 -0.523 8.538 1.00 0.00 O ATOM 430 CB ALA A 28 -16.168 -1.634 8.555 1.00 0.00 C ATOM 0 H ALA A 28 -17.184 -0.026 7.011 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.435 0.283 9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.522 -2.202 9.225 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.137 -1.478 9.030 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.304 -2.188 7.626 1.00 0.00 H new ATOM 436 N ILE A 29 -13.882 -0.424 6.394 1.00 0.00 N ATOM 437 CA ILE A 29 -12.552 -0.353 5.779 1.00 0.00 C ATOM 438 C ILE A 29 -11.678 0.733 6.402 1.00 0.00 C ATOM 439 O ILE A 29 -10.465 0.569 6.376 1.00 0.00 O ATOM 440 CB ILE A 29 -12.614 -0.271 4.241 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.327 1.017 3.778 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.169 -1.544 3.583 1.00 0.00 C ATOM 443 CD1 ILE A 29 -12.268 2.076 3.551 1.00 0.00 C ATOM 0 H ILE A 29 -14.639 -0.451 5.711 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.058 -1.298 6.004 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.585 -0.209 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.888 0.835 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.044 1.348 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.185 -1.417 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.535 -2.392 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.182 -1.727 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.743 3.001 3.222 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.728 2.256 4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.570 1.735 2.787 1.00 0.00 H new ATOM 455 N ASN A 30 -12.246 1.808 6.960 1.00 0.00 N ATOM 456 CA ASN A 30 -11.476 2.881 7.568 1.00 0.00 C ATOM 457 C ASN A 30 -10.497 2.320 8.599 1.00 0.00 C ATOM 458 O ASN A 30 -9.341 2.727 8.624 1.00 0.00 O ATOM 459 CB ASN A 30 -12.456 3.823 8.289 1.00 0.00 C ATOM 460 CG ASN A 30 -11.781 4.987 8.987 1.00 0.00 C ATOM 461 OD1 ASN A 30 -11.576 4.990 10.194 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.517 6.053 8.263 1.00 0.00 N ATOM 0 H ASN A 30 -13.255 1.952 6.999 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.915 3.406 6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.172 4.211 7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.023 3.250 9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.139 6.890 8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.691 6.043 7.258 1.00 0.00 H new ATOM 469 N GLU A 31 -10.951 1.355 9.406 1.00 0.00 N ATOM 470 CA GLU A 31 -10.181 0.778 10.496 1.00 0.00 C ATOM 471 C GLU A 31 -9.888 -0.699 10.228 1.00 0.00 C ATOM 472 O GLU A 31 -8.789 -1.130 10.537 1.00 0.00 O ATOM 473 CB GLU A 31 -10.917 0.992 11.825 1.00 0.00 C ATOM 474 CG GLU A 31 -10.656 2.369 12.460 1.00 0.00 C ATOM 475 CD GLU A 31 -9.306 2.434 13.183 1.00 0.00 C ATOM 476 OE1 GLU A 31 -9.219 1.799 14.261 1.00 0.00 O ATOM 477 OE2 GLU A 31 -8.345 3.091 12.713 1.00 0.00 O ATOM 0 H GLU A 31 -11.883 0.950 9.312 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.218 1.284 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.988 0.874 11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.615 0.215 12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.687 3.135 11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.454 2.597 13.166 1.00 0.00 H new ATOM 484 N ASP A 32 -10.790 -1.470 9.609 1.00 0.00 N ATOM 485 CA ASP A 32 -10.572 -2.878 9.238 1.00 0.00 C ATOM 486 C ASP A 32 -9.339 -3.023 8.344 1.00 0.00 C ATOM 487 O ASP A 32 -8.541 -3.941 8.527 1.00 0.00 O ATOM 488 CB ASP A 32 -11.841 -3.448 8.570 1.00 0.00 C ATOM 489 CG ASP A 32 -11.788 -4.937 8.211 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.594 -5.795 9.106 1.00 0.00 O ATOM 491 OD2 ASP A 32 -12.119 -5.242 7.038 1.00 0.00 O ATOM 0 H ASP A 32 -11.714 -1.127 9.345 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.378 -3.458 10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.687 -3.283 9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.038 -2.880 7.661 1.00 0.00 H new ATOM 496 N PHE A 33 -9.117 -2.062 7.443 1.00 0.00 N ATOM 497 CA PHE A 33 -7.909 -2.001 6.640 1.00 0.00 C ATOM 498 C PHE A 33 -6.684 -1.666 7.488 1.00 0.00 C ATOM 499 O PHE A 33 -5.675 -2.358 7.402 1.00 0.00 O ATOM 500 CB PHE A 33 -8.077 -0.946 5.548 1.00 0.00 C ATOM 501 CG PHE A 33 -6.944 -0.942 4.559 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.653 -2.117 3.853 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.153 0.203 4.380 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.544 -2.174 3.002 1.00 0.00 C ATOM 505 CE2 PHE A 33 -5.078 0.150 3.479 1.00 0.00 C ATOM 506 CZ PHE A 33 -4.761 -1.032 2.803 1.00 0.00 C ATOM 0 H PHE A 33 -9.776 -1.306 7.255 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.751 -2.983 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.014 -1.124 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.153 0.038 6.010 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.288 -2.983 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.368 1.110 4.926 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.293 -3.097 2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.486 1.037 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.916 -1.063 2.131 1.00 0.00 H new ATOM 516 N TYR A 34 -6.746 -0.602 8.294 1.00 0.00 N ATOM 517 CA TYR A 34 -5.618 -0.192 9.128 1.00 0.00 C ATOM 518 C TYR A 34 -5.264 -1.297 10.140 1.00 0.00 C ATOM 519 O TYR A 34 -4.112 -1.414 10.573 1.00 0.00 O ATOM 520 CB TYR A 34 -5.944 1.122 9.859 1.00 0.00 C ATOM 521 CG TYR A 34 -5.755 2.424 9.093 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.337 2.615 7.824 1.00 0.00 C ATOM 523 CD2 TYR A 34 -5.057 3.492 9.700 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.243 3.861 7.182 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.978 4.747 9.074 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.604 4.938 7.827 1.00 0.00 C ATOM 527 OH TYR A 34 -5.666 6.175 7.268 1.00 0.00 O ATOM 0 H TYR A 34 -7.570 -0.008 8.385 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.754 -0.027 8.484 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.982 1.074 10.188 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.327 1.168 10.756 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.858 1.800 7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.579 3.342 10.657 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.660 3.993 6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.442 5.558 9.545 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.179 6.813 7.830 1.00 0.00 H new ATOM 537 N ASN A 35 -6.251 -2.095 10.541 1.00 0.00 N ATOM 538 CA ASN A 35 -6.117 -3.218 11.451 1.00 0.00 C ATOM 539 C ASN A 35 -5.368 -4.366 10.803 1.00 0.00 C ATOM 540 O ASN A 35 -4.669 -5.051 11.535 1.00 0.00 O ATOM 541 CB ASN A 35 -7.473 -3.765 11.912 1.00 0.00 C ATOM 542 CG ASN A 35 -8.197 -2.913 12.939 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.602 -2.136 13.685 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.500 -3.109 13.035 1.00 0.00 N ATOM 0 H ASN A 35 -7.211 -1.965 10.221 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.567 -2.831 12.309 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.116 -3.880 11.040 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.322 -4.760 12.330 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.040 -2.610 13.742 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.966 -3.760 12.402 1.00 0.00 H new ATOM 551 N PHE A 36 -5.457 -4.579 9.480 1.00 0.00 N ATOM 552 CA PHE A 36 -4.734 -5.661 8.799 1.00 0.00 C ATOM 553 C PHE A 36 -3.249 -5.614 9.188 1.00 0.00 C ATOM 554 O PHE A 36 -2.621 -6.646 9.371 1.00 0.00 O ATOM 555 CB PHE A 36 -4.855 -5.504 7.262 1.00 0.00 C ATOM 556 CG PHE A 36 -3.940 -6.367 6.394 1.00 0.00 C ATOM 557 CD1 PHE A 36 -4.000 -7.776 6.420 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.010 -5.746 5.535 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.131 -8.543 5.616 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.119 -6.512 4.765 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.174 -7.913 4.799 1.00 0.00 C ATOM 0 H PHE A 36 -6.029 -4.009 8.857 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.169 -6.614 9.101 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.886 -5.718 6.981 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.668 -4.459 7.014 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.716 -8.271 7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.982 -4.668 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.201 -9.621 5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.387 -6.019 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.490 -8.501 4.205 1.00 0.00 H new ATOM 571 N TRP A 37 -2.687 -4.409 9.325 1.00 0.00 N ATOM 572 CA TRP A 37 -1.279 -4.170 9.613 1.00 0.00 C ATOM 573 C TRP A 37 -0.887 -4.585 11.035 1.00 0.00 C ATOM 574 O TRP A 37 0.274 -4.936 11.277 1.00 0.00 O ATOM 575 CB TRP A 37 -1.011 -2.667 9.465 1.00 0.00 C ATOM 576 CG TRP A 37 -1.611 -1.969 8.275 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.901 -2.521 7.074 1.00 0.00 C ATOM 578 CD2 TRP A 37 -2.010 -0.573 8.170 1.00 0.00 C ATOM 579 NE1 TRP A 37 -2.489 -1.580 6.254 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.554 -0.349 6.872 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.975 0.527 9.053 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -3.029 0.908 6.471 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -2.446 1.792 8.658 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.966 1.986 7.367 1.00 0.00 C ATOM 0 H TRP A 37 -3.223 -3.546 9.234 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.691 -4.768 8.917 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.374 -2.170 10.365 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.068 -2.519 9.433 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.702 -3.546 6.798 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.831 -1.770 5.312 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.580 0.395 10.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.440 1.045 5.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.408 2.619 9.351 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.316 2.962 7.065 1.00 0.00 H new ATOM 595 N LYS A 38 -1.824 -4.476 11.982 1.00 0.00 N ATOM 596 CA LYS A 38 -1.634 -4.860 13.371 1.00 0.00 C ATOM 597 C LYS A 38 -1.445 -6.375 13.377 1.00 0.00 C ATOM 598 O LYS A 38 -2.098 -7.092 12.624 1.00 0.00 O ATOM 599 CB LYS A 38 -2.864 -4.451 14.202 1.00 0.00 C ATOM 600 CG LYS A 38 -3.171 -2.945 14.198 1.00 0.00 C ATOM 601 CD LYS A 38 -4.484 -2.697 14.952 1.00 0.00 C ATOM 602 CE LYS A 38 -4.926 -1.234 14.896 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.403 -0.400 15.999 1.00 0.00 N ATOM 0 H LYS A 38 -2.756 -4.108 11.792 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.770 -4.364 13.813 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.735 -4.986 13.824 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.713 -4.774 15.232 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.357 -2.394 14.670 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.251 -2.581 13.174 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.267 -3.326 14.528 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.363 -2.997 15.993 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.604 -0.805 13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.015 -1.194 14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.747 0.575 15.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.730 -0.783 16.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.363 -0.405 15.975 1.00 0.00 H new ATOM 617 N GLU A 39 -0.551 -6.889 14.215 1.00 0.00 N ATOM 618 CA GLU A 39 -0.377 -8.331 14.293 1.00 0.00 C ATOM 619 C GLU A 39 -1.609 -8.969 14.919 1.00 0.00 C ATOM 620 O GLU A 39 -2.241 -8.382 15.807 1.00 0.00 O ATOM 621 CB GLU A 39 0.843 -8.674 15.142 1.00 0.00 C ATOM 622 CG GLU A 39 2.134 -8.509 14.345 1.00 0.00 C ATOM 623 CD GLU A 39 3.359 -8.982 15.136 1.00 0.00 C ATOM 624 OE1 GLU A 39 3.346 -8.880 16.387 1.00 0.00 O ATOM 625 OE2 GLU A 39 4.385 -9.316 14.506 1.00 0.00 O ATOM 0 H GLU A 39 0.049 -6.344 14.834 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.234 -8.715 13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.870 -8.030 16.021 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.763 -9.700 15.501 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.062 -9.074 13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.261 -7.461 14.072 1.00 0.00 H new ATOM 632 N GLY A 40 -1.883 -10.201 14.498 1.00 0.00 N ATOM 633 CA GLY A 40 -2.961 -11.041 14.990 1.00 0.00 C ATOM 634 C GLY A 40 -4.299 -10.734 14.332 1.00 0.00 C ATOM 635 O GLY A 40 -5.298 -11.367 14.655 1.00 0.00 O ATOM 0 H GLY A 40 -1.332 -10.658 13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.708 -12.087 14.816 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.054 -10.910 16.068 1.00 0.00 H new ATOM 639 N TYR A 41 -4.318 -9.784 13.402 1.00 0.00 N ATOM 640 CA TYR A 41 -5.491 -9.356 12.682 1.00 0.00 C ATOM 641 C TYR A 41 -5.427 -9.964 11.285 1.00 0.00 C ATOM 642 O TYR A 41 -4.795 -9.437 10.369 1.00 0.00 O ATOM 643 CB TYR A 41 -5.531 -7.835 12.672 1.00 0.00 C ATOM 644 CG TYR A 41 -6.534 -7.197 13.603 1.00 0.00 C ATOM 645 CD1 TYR A 41 -7.906 -7.375 13.376 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.101 -6.312 14.601 1.00 0.00 C ATOM 647 CE1 TYR A 41 -8.845 -6.567 14.036 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.024 -5.505 15.279 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.402 -5.609 14.975 1.00 0.00 C ATOM 650 OH TYR A 41 -9.298 -4.766 15.556 1.00 0.00 O ATOM 0 H TYR A 41 -3.477 -9.277 13.125 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.414 -9.694 13.153 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.539 -7.463 12.927 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.744 -7.503 11.656 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.242 -8.138 12.690 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.051 -6.252 14.848 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.899 -6.677 13.827 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.685 -4.807 16.030 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.831 -4.170 16.178 1.00 0.00 H new ATOM 660 N GLU A 42 -6.083 -11.106 11.131 1.00 0.00 N ATOM 661 CA GLU A 42 -6.149 -11.899 9.913 1.00 0.00 C ATOM 662 C GLU A 42 -7.158 -11.266 8.931 1.00 0.00 C ATOM 663 O GLU A 42 -8.138 -11.884 8.506 1.00 0.00 O ATOM 664 CB GLU A 42 -6.432 -13.355 10.330 1.00 0.00 C ATOM 665 CG GLU A 42 -5.547 -14.388 9.625 1.00 0.00 C ATOM 666 CD GLU A 42 -4.043 -14.266 9.905 1.00 0.00 C ATOM 667 OE1 GLU A 42 -3.607 -14.508 11.053 1.00 0.00 O ATOM 668 OE2 GLU A 42 -3.271 -14.032 8.940 1.00 0.00 O ATOM 0 H GLU A 42 -6.612 -11.526 11.895 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.213 -11.911 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.293 -13.447 11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.477 -13.585 10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.875 -15.385 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.707 -14.306 8.550 1.00 0.00 H new ATOM 675 N ILE A 43 -6.969 -9.980 8.619 1.00 0.00 N ATOM 676 CA ILE A 43 -7.867 -9.195 7.777 1.00 0.00 C ATOM 677 C ILE A 43 -7.589 -9.511 6.309 1.00 0.00 C ATOM 678 O ILE A 43 -7.045 -8.709 5.550 1.00 0.00 O ATOM 679 CB ILE A 43 -7.806 -7.706 8.099 1.00 0.00 C ATOM 680 CG1 ILE A 43 -8.053 -7.442 9.585 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.838 -6.936 7.263 1.00 0.00 C ATOM 682 CD1 ILE A 43 -9.241 -8.172 10.188 1.00 0.00 C ATOM 0 H ILE A 43 -6.167 -9.446 8.955 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.897 -9.481 7.990 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.803 -7.359 7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.157 -7.721 10.140 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.196 -6.371 9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.782 -5.874 7.504 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.627 -7.079 6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.838 -7.307 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.328 -7.916 11.244 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.152 -7.877 9.667 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.097 -9.248 10.086 1.00 0.00 H new ATOM 694 N LYS A 44 -8.032 -10.681 5.883 1.00 0.00 N ATOM 695 CA LYS A 44 -7.895 -11.159 4.513 1.00 0.00 C ATOM 696 C LYS A 44 -9.169 -10.910 3.701 1.00 0.00 C ATOM 697 O LYS A 44 -9.387 -11.584 2.686 1.00 0.00 O ATOM 698 CB LYS A 44 -7.424 -12.608 4.506 1.00 0.00 C ATOM 699 CG LYS A 44 -8.351 -13.515 5.315 1.00 0.00 C ATOM 700 CD LYS A 44 -8.557 -14.873 4.656 1.00 0.00 C ATOM 701 CE LYS A 44 -7.233 -15.544 4.296 1.00 0.00 C ATOM 702 NZ LYS A 44 -7.452 -16.847 3.637 1.00 0.00 N ATOM 0 H LYS A 44 -8.510 -11.344 6.494 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.122 -10.582 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.372 -12.967 3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.415 -12.663 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.935 -13.658 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.316 -13.025 5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.120 -15.520 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.158 -14.751 3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.661 -14.892 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.638 -15.686 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.534 -17.277 3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.977 -17.476 4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.999 -16.707 2.764 1.00 0.00 H new ATOM 716 N ASN A 45 -10.022 -9.971 4.128 1.00 0.00 N ATOM 717 CA ASN A 45 -11.252 -9.723 3.403 1.00 0.00 C ATOM 718 C ASN A 45 -10.962 -8.986 2.111 1.00 0.00 C ATOM 719 O ASN A 45 -10.065 -8.164 2.007 1.00 0.00 O ATOM 720 CB ASN A 45 -12.310 -8.950 4.193 1.00 0.00 C ATOM 721 CG ASN A 45 -13.586 -8.982 3.365 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.039 -10.059 2.999 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.089 -7.877 2.856 1.00 0.00 N ATOM 0 H ASN A 45 -9.880 -9.388 4.953 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.671 -10.710 3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.472 -9.405 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.988 -7.923 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.842 -7.928 2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.726 -6.970 3.148 1.00 0.00 H new ATOM 730 N ARG A 46 -11.802 -9.235 1.125 1.00 0.00 N ATOM 731 CA ARG A 46 -11.692 -8.737 -0.235 1.00 0.00 C ATOM 732 C ARG A 46 -11.507 -7.222 -0.253 1.00 0.00 C ATOM 733 O ARG A 46 -10.613 -6.726 -0.936 1.00 0.00 O ATOM 734 CB ARG A 46 -12.928 -9.139 -1.034 1.00 0.00 C ATOM 735 CG ARG A 46 -13.393 -10.579 -0.781 1.00 0.00 C ATOM 736 CD ARG A 46 -14.692 -10.734 -1.547 1.00 0.00 C ATOM 737 NE ARG A 46 -15.129 -12.124 -1.680 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.395 -12.491 -1.877 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.404 -11.670 -1.584 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.651 -13.687 -2.382 1.00 0.00 N ATOM 0 H ARG A 46 -12.625 -9.822 1.257 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.811 -9.182 -0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.743 -8.457 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.717 -9.018 -2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.648 -11.297 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.543 -10.760 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.472 -10.163 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.572 -10.302 -2.541 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.422 -12.857 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.213 -10.744 -1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.367 -11.968 -1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.883 -14.317 -2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.616 -13.979 -2.537 1.00 0.00 H new ATOM 754 N GLU A 47 -12.326 -6.493 0.506 1.00 0.00 N ATOM 755 CA GLU A 47 -12.318 -5.038 0.522 1.00 0.00 C ATOM 756 C GLU A 47 -10.985 -4.482 1.063 1.00 0.00 C ATOM 757 O GLU A 47 -10.568 -3.413 0.607 1.00 0.00 O ATOM 758 CB GLU A 47 -13.578 -4.533 1.250 1.00 0.00 C ATOM 759 CG GLU A 47 -14.872 -4.835 0.447 1.00 0.00 C ATOM 760 CD GLU A 47 -16.051 -5.452 1.223 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.941 -5.730 2.433 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.072 -5.800 0.584 1.00 0.00 O ATOM 0 H GLU A 47 -13.019 -6.904 1.132 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.369 -4.648 -0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.642 -5.002 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.496 -3.459 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.215 -3.904 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.614 -5.510 -0.369 1.00 0.00 H new ATOM 769 N THR A 48 -10.243 -5.219 1.903 1.00 0.00 N ATOM 770 CA THR A 48 -8.853 -4.928 2.275 1.00 0.00 C ATOM 771 C THR A 48 -7.989 -4.811 1.013 1.00 0.00 C ATOM 772 O THR A 48 -7.271 -3.829 0.815 1.00 0.00 O ATOM 773 CB THR A 48 -8.328 -6.015 3.242 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.310 -6.285 4.222 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.013 -5.664 3.944 1.00 0.00 C ATOM 0 H THR A 48 -10.606 -6.058 2.355 1.00 0.00 H new ATOM 0 HA THR A 48 -8.802 -3.973 2.797 1.00 0.00 H new ATOM 0 HB THR A 48 -8.121 -6.887 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.870 -7.033 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.722 -6.483 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.234 -5.503 3.198 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.146 -4.756 4.532 1.00 0.00 H new ATOM 783 N GLY A 49 -8.103 -5.782 0.109 1.00 0.00 N ATOM 784 CA GLY A 49 -7.370 -5.793 -1.144 1.00 0.00 C ATOM 785 C GLY A 49 -7.865 -4.722 -2.107 1.00 0.00 C ATOM 786 O GLY A 49 -7.068 -4.163 -2.859 1.00 0.00 O ATOM 0 H GLY A 49 -8.714 -6.589 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.310 -5.638 -0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.467 -6.773 -1.611 1.00 0.00 H new ATOM 790 N CYS A 50 -9.162 -4.403 -2.085 1.00 0.00 N ATOM 791 CA CYS A 50 -9.712 -3.330 -2.896 1.00 0.00 C ATOM 792 C CYS A 50 -9.117 -1.986 -2.497 1.00 0.00 C ATOM 793 O CYS A 50 -8.840 -1.174 -3.376 1.00 0.00 O ATOM 794 CB CYS A 50 -11.224 -3.245 -2.741 1.00 0.00 C ATOM 795 SG CYS A 50 -12.234 -4.659 -3.278 1.00 0.00 S ATOM 0 H CYS A 50 -9.851 -4.882 -1.506 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.460 -3.555 -3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.439 -3.065 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.564 -2.367 -3.290 1.00 0.00 H new ATOM 800 N ALA A 51 -8.907 -1.736 -1.195 1.00 0.00 N ATOM 801 CA ALA A 51 -8.241 -0.521 -0.763 1.00 0.00 C ATOM 802 C ALA A 51 -6.846 -0.461 -1.363 1.00 0.00 C ATOM 803 O ALA A 51 -6.494 0.559 -1.948 1.00 0.00 O ATOM 804 CB ALA A 51 -8.176 -0.414 0.768 1.00 0.00 C ATOM 0 H ALA A 51 -9.190 -2.359 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.826 0.328 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.670 0.510 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.187 -0.411 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.625 -1.265 1.169 1.00 0.00 H new ATOM 810 N ILE A 52 -6.068 -1.539 -1.257 1.00 0.00 N ATOM 811 CA ILE A 52 -4.719 -1.546 -1.804 1.00 0.00 C ATOM 812 C ILE A 52 -4.762 -1.208 -3.295 1.00 0.00 C ATOM 813 O ILE A 52 -4.095 -0.277 -3.728 1.00 0.00 O ATOM 814 CB ILE A 52 -4.077 -2.905 -1.513 1.00 0.00 C ATOM 815 CG1 ILE A 52 -3.913 -3.109 0.004 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.704 -3.035 -2.185 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.645 -4.549 0.425 1.00 0.00 C ATOM 0 H ILE A 52 -6.348 -2.408 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.101 -0.782 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.740 -3.669 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.093 -2.483 0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.817 -2.760 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.278 -4.012 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.816 -2.931 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.041 -2.254 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.543 -4.598 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.475 -5.181 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.725 -4.899 -0.042 1.00 0.00 H new ATOM 829 N MET A 53 -5.562 -1.946 -4.054 1.00 0.00 N ATOM 830 CA MET A 53 -5.633 -1.868 -5.505 1.00 0.00 C ATOM 831 C MET A 53 -6.201 -0.534 -5.988 1.00 0.00 C ATOM 832 O MET A 53 -6.027 -0.165 -7.145 1.00 0.00 O ATOM 833 CB MET A 53 -6.542 -3.023 -5.914 1.00 0.00 C ATOM 834 CG MET A 53 -6.727 -3.236 -7.411 1.00 0.00 C ATOM 835 SD MET A 53 -8.291 -2.633 -8.110 1.00 0.00 S ATOM 836 CE MET A 53 -9.479 -3.483 -7.051 1.00 0.00 C ATOM 0 H MET A 53 -6.200 -2.638 -3.662 1.00 0.00 H new ATOM 0 HA MET A 53 -4.641 -1.935 -5.951 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.143 -3.942 -5.484 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.523 -2.862 -5.467 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.905 -2.745 -7.933 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.645 -4.303 -7.620 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.395 -3.672 -7.610 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.056 -4.430 -6.717 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.704 -2.861 -6.185 1.00 0.00 H new ATOM 846 N CYS A 54 -6.898 0.200 -5.121 1.00 0.00 N ATOM 847 CA CYS A 54 -7.325 1.556 -5.436 1.00 0.00 C ATOM 848 C CYS A 54 -6.248 2.574 -5.093 1.00 0.00 C ATOM 849 O CYS A 54 -5.983 3.516 -5.827 1.00 0.00 O ATOM 850 CB CYS A 54 -8.666 1.851 -4.770 1.00 0.00 C ATOM 851 SG CYS A 54 -9.183 3.561 -5.051 1.00 0.00 S ATOM 0 H CYS A 54 -7.177 -0.125 -4.195 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.475 1.640 -6.512 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.424 1.172 -5.160 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.591 1.664 -3.699 1.00 0.00 H new ATOM 856 N LEU A 55 -5.601 2.422 -3.956 1.00 0.00 N ATOM 857 CA LEU A 55 -4.532 3.271 -3.537 1.00 0.00 C ATOM 858 C LEU A 55 -3.253 3.146 -4.315 1.00 0.00 C ATOM 859 O LEU A 55 -2.499 4.119 -4.346 1.00 0.00 O ATOM 860 CB LEU A 55 -4.345 3.048 -2.044 1.00 0.00 C ATOM 861 CG LEU A 55 -5.116 4.096 -1.258 1.00 0.00 C ATOM 862 CD1 LEU A 55 -6.391 3.482 -0.873 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.500 4.450 0.078 1.00 0.00 C ATOM 0 H LEU A 55 -5.818 1.682 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.814 4.302 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.691 2.051 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.286 3.099 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.161 4.980 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.983 4.199 -0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.939 3.189 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.200 2.601 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.112 5.204 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.448 3.558 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.495 4.843 -0.077 1.00 0.00 H new ATOM 875 N SER A 56 -3.065 2.035 -5.007 1.00 0.00 N ATOM 876 CA SER A 56 -2.007 1.952 -5.970 1.00 0.00 C ATOM 877 C SER A 56 -2.234 2.993 -7.077 1.00 0.00 C ATOM 878 O SER A 56 -1.285 3.529 -7.653 1.00 0.00 O ATOM 879 CB SER A 56 -1.869 0.489 -6.415 1.00 0.00 C ATOM 880 OG SER A 56 -2.909 0.033 -7.251 1.00 0.00 O ATOM 0 H SER A 56 -3.631 1.191 -4.914 1.00 0.00 H new ATOM 0 HA SER A 56 -1.034 2.218 -5.557 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.920 0.369 -6.938 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.827 -0.145 -5.529 1.00 0.00 H new ATOM 0 HG SER A 56 -3.774 0.265 -6.853 1.00 0.00 H new ATOM 886 N THR A 57 -3.486 3.455 -7.256 1.00 0.00 N ATOM 887 CA THR A 57 -3.786 4.370 -8.363 1.00 0.00 C ATOM 888 C THR A 57 -4.081 5.791 -7.837 1.00 0.00 C ATOM 889 O THR A 57 -4.726 6.617 -8.491 1.00 0.00 O ATOM 890 CB THR A 57 -4.742 3.672 -9.352 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.021 4.452 -10.492 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.068 3.221 -8.747 1.00 0.00 C ATOM 0 H THR A 57 -4.282 3.216 -6.665 1.00 0.00 H new ATOM 0 HA THR A 57 -2.931 4.589 -9.003 1.00 0.00 H new ATOM 0 HB THR A 57 -4.182 2.782 -9.639 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.056 5.398 -10.240 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.674 2.741 -9.516 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.878 2.513 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.601 4.086 -8.352 1.00 0.00 H new ATOM 900 N LYS A 58 -3.587 6.085 -6.627 1.00 0.00 N ATOM 901 CA LYS A 58 -3.829 7.308 -5.859 1.00 0.00 C ATOM 902 C LYS A 58 -2.528 7.855 -5.258 1.00 0.00 C ATOM 903 O LYS A 58 -2.585 8.526 -4.226 1.00 0.00 O ATOM 904 CB LYS A 58 -4.825 6.990 -4.725 1.00 0.00 C ATOM 905 CG LYS A 58 -6.213 6.491 -5.150 1.00 0.00 C ATOM 906 CD LYS A 58 -7.172 7.653 -5.281 1.00 0.00 C ATOM 907 CE LYS A 58 -8.579 7.176 -5.651 1.00 0.00 C ATOM 908 NZ LYS A 58 -9.048 7.693 -6.951 1.00 0.00 N ATOM 0 H LYS A 58 -2.973 5.438 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.237 8.067 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.375 6.237 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.956 7.890 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.141 5.961 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.591 5.779 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.208 8.205 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.808 8.343 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.591 6.086 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.276 7.485 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.991 7.307 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.099 8.731 -6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.384 7.406 -7.699 1.00 0.00 H new ATOM 922 N LEU A 59 -1.350 7.556 -5.811 1.00 0.00 N ATOM 923 CA LEU A 59 -0.066 7.968 -5.216 1.00 0.00 C ATOM 924 C LEU A 59 -0.009 9.480 -5.023 1.00 0.00 C ATOM 925 O LEU A 59 0.447 9.951 -3.983 1.00 0.00 O ATOM 926 CB LEU A 59 1.130 7.526 -6.074 1.00 0.00 C ATOM 927 CG LEU A 59 1.133 6.054 -6.508 1.00 0.00 C ATOM 928 CD1 LEU A 59 2.186 5.808 -7.595 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.290 5.060 -5.357 1.00 0.00 C ATOM 0 H LEU A 59 -1.254 7.026 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.001 7.475 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.162 8.149 -6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.046 7.723 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 59 0.141 5.867 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.169 4.758 -7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.965 6.429 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.173 6.062 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.282 4.044 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.234 5.243 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.466 5.184 -4.655 1.00 0.00 H new ATOM 941 N ASN A 60 -0.592 10.234 -5.954 1.00 0.00 N ATOM 942 CA ASN A 60 -0.732 11.690 -5.923 1.00 0.00 C ATOM 943 C ASN A 60 -1.574 12.214 -4.755 1.00 0.00 C ATOM 944 O ASN A 60 -1.555 13.409 -4.461 1.00 0.00 O ATOM 945 CB ASN A 60 -1.408 12.139 -7.221 1.00 0.00 C ATOM 946 CG ASN A 60 -2.857 11.656 -7.328 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.147 10.481 -7.131 1.00 0.00 O ATOM 948 ND2 ASN A 60 -3.788 12.530 -7.657 1.00 0.00 N ATOM 0 H ASN A 60 -1.001 9.825 -6.794 1.00 0.00 H new ATOM 0 HA ASN A 60 0.273 12.094 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.386 13.227 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.840 11.762 -8.071 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.759 12.231 -7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.537 13.505 -7.819 1.00 0.00 H new ATOM 955 N MET A 61 -2.347 11.346 -4.108 1.00 0.00 N ATOM 956 CA MET A 61 -3.129 11.661 -2.929 1.00 0.00 C ATOM 957 C MET A 61 -2.389 11.255 -1.650 1.00 0.00 C ATOM 958 O MET A 61 -2.798 11.678 -0.567 1.00 0.00 O ATOM 959 CB MET A 61 -4.460 10.908 -2.982 1.00 0.00 C ATOM 960 CG MET A 61 -5.371 11.188 -4.175 1.00 0.00 C ATOM 961 SD MET A 61 -6.540 12.548 -3.882 1.00 0.00 S ATOM 962 CE MET A 61 -7.554 11.896 -2.535 1.00 0.00 C ATOM 0 H MET A 61 -2.445 10.375 -4.404 1.00 0.00 H new ATOM 0 HA MET A 61 -3.298 12.738 -2.914 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.245 9.840 -2.964 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.015 11.137 -2.072 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.758 11.426 -5.044 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.929 10.284 -4.417 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.581 12.240 -2.654 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.531 10.806 -2.557 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.161 12.248 -1.581 1.00 0.00 H new ATOM 972 N LEU A 62 -1.373 10.390 -1.733 1.00 0.00 N ATOM 973 CA LEU A 62 -0.567 9.923 -0.606 1.00 0.00 C ATOM 974 C LEU A 62 0.657 10.790 -0.390 1.00 0.00 C ATOM 975 O LEU A 62 1.044 11.044 0.758 1.00 0.00 O ATOM 976 CB LEU A 62 -0.137 8.473 -0.889 1.00 0.00 C ATOM 977 CG LEU A 62 -1.315 7.532 -1.140 1.00 0.00 C ATOM 978 CD1 LEU A 62 -0.839 6.217 -1.734 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.111 7.259 0.144 1.00 0.00 C ATOM 0 H LEU A 62 -1.080 9.982 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.166 9.980 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.522 8.459 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.442 8.101 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.974 8.030 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.695 5.564 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.334 6.407 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.146 5.736 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.939 6.586 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.458 6.799 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.501 8.198 0.537 1.00 0.00 H new ATOM 991 N ASP A 63 1.252 11.232 -1.489 1.00 0.00 N ATOM 992 CA ASP A 63 2.453 12.059 -1.479 1.00 0.00 C ATOM 993 C ASP A 63 2.155 13.402 -2.128 1.00 0.00 C ATOM 994 O ASP A 63 2.092 13.479 -3.357 1.00 0.00 O ATOM 995 CB ASP A 63 3.649 11.353 -2.120 1.00 0.00 C ATOM 996 CG ASP A 63 4.933 12.170 -1.950 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.888 13.336 -1.490 1.00 0.00 O ATOM 998 OD2 ASP A 63 6.013 11.616 -2.219 1.00 0.00 O ATOM 0 H ASP A 63 0.910 11.024 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 63 2.742 12.236 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.779 10.370 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.454 11.194 -3.181 1.00 0.00 H new ATOM 1003 N PRO A 64 1.930 14.469 -1.337 1.00 0.00 N ATOM 1004 CA PRO A 64 1.552 15.749 -1.906 1.00 0.00 C ATOM 1005 C PRO A 64 2.654 16.332 -2.788 1.00 0.00 C ATOM 1006 O PRO A 64 2.350 17.072 -3.724 1.00 0.00 O ATOM 1007 CB PRO A 64 1.260 16.670 -0.720 1.00 0.00 C ATOM 1008 CG PRO A 64 1.981 16.026 0.462 1.00 0.00 C ATOM 1009 CD PRO A 64 1.990 14.542 0.119 1.00 0.00 C ATOM 0 HA PRO A 64 0.683 15.637 -2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.626 17.680 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.189 16.748 -0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.992 16.417 0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.460 16.216 1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.891 14.059 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.140 14.031 0.571 1.00 0.00 H new ATOM 1017 N GLU A 65 3.917 16.016 -2.501 1.00 0.00 N ATOM 1018 CA GLU A 65 5.044 16.496 -3.292 1.00 0.00 C ATOM 1019 C GLU A 65 5.018 15.873 -4.695 1.00 0.00 C ATOM 1020 O GLU A 65 5.500 16.492 -5.648 1.00 0.00 O ATOM 1021 CB GLU A 65 6.394 16.185 -2.623 1.00 0.00 C ATOM 1022 CG GLU A 65 6.500 16.689 -1.181 1.00 0.00 C ATOM 1023 CD GLU A 65 7.856 16.313 -0.579 1.00 0.00 C ATOM 1024 OE1 GLU A 65 8.883 16.827 -1.081 1.00 0.00 O ATOM 1025 OE2 GLU A 65 7.876 15.469 0.348 1.00 0.00 O ATOM 0 H GLU A 65 4.184 15.422 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 65 4.943 17.579 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.554 15.107 -2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.193 16.632 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.373 17.771 -1.158 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.698 16.261 -0.580 1.00 0.00 H new ATOM 1032 N GLY A 66 4.449 14.665 -4.822 1.00 0.00 N ATOM 1033 CA GLY A 66 4.442 13.845 -6.022 1.00 0.00 C ATOM 1034 C GLY A 66 5.639 12.897 -6.146 1.00 0.00 C ATOM 1035 O GLY A 66 5.740 12.225 -7.168 1.00 0.00 O ATOM 0 H GLY A 66 3.959 14.220 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.524 13.257 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.419 14.498 -6.894 1.00 0.00 H new ATOM 1039 N ASN A 67 6.534 12.825 -5.145 1.00 0.00 N ATOM 1040 CA ASN A 67 7.745 11.989 -5.210 1.00 0.00 C ATOM 1041 C ASN A 67 7.397 10.519 -5.388 1.00 0.00 C ATOM 1042 O ASN A 67 8.120 9.797 -6.072 1.00 0.00 O ATOM 1043 CB ASN A 67 8.626 12.115 -3.958 1.00 0.00 C ATOM 1044 CG ASN A 67 9.721 13.136 -4.118 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.813 12.834 -4.583 1.00 0.00 O ATOM 1046 ND2 ASN A 67 9.439 14.356 -3.708 1.00 0.00 N ATOM 0 H ASN A 67 6.439 13.343 -4.271 1.00 0.00 H new ATOM 0 HA ASN A 67 8.300 12.357 -6.073 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.003 12.387 -3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.069 11.145 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.143 15.091 -3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.516 14.565 -3.327 1.00 0.00 H new ATOM 1053 N LEU A 68 6.338 10.045 -4.731 1.00 0.00 N ATOM 1054 CA LEU A 68 5.858 8.683 -4.887 1.00 0.00 C ATOM 1055 C LEU A 68 5.315 8.519 -6.310 1.00 0.00 C ATOM 1056 O LEU A 68 4.132 8.760 -6.557 1.00 0.00 O ATOM 1057 CB LEU A 68 4.814 8.385 -3.796 1.00 0.00 C ATOM 1058 CG LEU A 68 4.317 6.928 -3.791 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.404 5.892 -3.468 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.182 6.795 -2.764 1.00 0.00 C ATOM 0 H LEU A 68 5.791 10.602 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 68 6.660 7.956 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.245 8.615 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.961 9.049 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 68 3.979 6.713 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.970 4.892 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.199 5.955 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.815 6.092 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.821 5.766 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.554 7.061 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.365 7.463 -3.037 1.00 0.00 H new ATOM 1072 N HIS A 69 6.178 8.154 -7.257 1.00 0.00 N ATOM 1073 CA HIS A 69 5.767 7.908 -8.625 1.00 0.00 C ATOM 1074 C HIS A 69 5.469 6.437 -8.826 1.00 0.00 C ATOM 1075 O HIS A 69 5.987 5.555 -8.143 1.00 0.00 O ATOM 1076 CB HIS A 69 6.837 8.327 -9.627 1.00 0.00 C ATOM 1077 CG HIS A 69 7.025 9.806 -9.793 1.00 0.00 C ATOM 1078 ND1 HIS A 69 6.018 10.723 -9.987 1.00 0.00 N ATOM 1079 CD2 HIS A 69 8.220 10.468 -9.854 1.00 0.00 C ATOM 1080 CE1 HIS A 69 6.593 11.922 -10.162 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.934 11.811 -10.131 1.00 0.00 N ATOM 0 H HIS A 69 7.176 8.023 -7.092 1.00 0.00 H new ATOM 0 HA HIS A 69 4.872 8.506 -8.800 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.787 7.890 -9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.588 7.899 -10.598 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.200 10.036 -9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.055 12.847 -10.307 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.611 12.560 -10.280 1.00 0.00 H new ATOM 1089 N HIS A 70 4.687 6.207 -9.869 1.00 0.00 N ATOM 1090 CA HIS A 70 4.305 4.907 -10.387 1.00 0.00 C ATOM 1091 C HIS A 70 5.592 4.263 -10.886 1.00 0.00 C ATOM 1092 O HIS A 70 6.258 4.807 -11.777 1.00 0.00 O ATOM 1093 CB HIS A 70 3.215 5.113 -11.456 1.00 0.00 C ATOM 1094 CG HIS A 70 2.917 4.006 -12.453 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.993 4.098 -13.474 1.00 0.00 N ATOM 1096 CD2 HIS A 70 3.500 2.772 -12.560 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.059 2.970 -14.200 1.00 0.00 C ATOM 1098 NE2 HIS A 70 3.024 2.166 -13.729 1.00 0.00 N ATOM 0 H HIS A 70 4.278 6.971 -10.408 1.00 0.00 H new ATOM 0 HA HIS A 70 3.862 4.235 -9.652 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.286 5.339 -10.933 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.484 6.002 -12.027 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.204 2.341 -11.864 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.425 2.742 -15.044 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.346 1.290 -14.140 1.00 0.00 H new ATOM 1106 N GLY A 71 5.929 3.127 -10.278 1.00 0.00 N ATOM 1107 CA GLY A 71 7.104 2.329 -10.553 1.00 0.00 C ATOM 1108 C GLY A 71 8.393 3.043 -10.175 1.00 0.00 C ATOM 1109 O GLY A 71 9.448 2.628 -10.653 1.00 0.00 O ATOM 0 H GLY A 71 5.352 2.723 -9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.038 1.390 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.129 2.078 -11.613 1.00 0.00 H new ATOM 1113 N ASN A 72 8.325 4.132 -9.400 1.00 0.00 N ATOM 1114 CA ASN A 72 9.508 4.858 -8.986 1.00 0.00 C ATOM 1115 C ASN A 72 9.269 5.543 -7.646 1.00 0.00 C ATOM 1116 O ASN A 72 8.994 6.740 -7.578 1.00 0.00 O ATOM 1117 CB ASN A 72 9.946 5.875 -10.048 1.00 0.00 C ATOM 1118 CG ASN A 72 11.391 6.258 -9.799 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.933 6.159 -8.696 1.00 0.00 O ATOM 1120 ND2 ASN A 72 12.049 6.707 -10.843 1.00 0.00 N ATOM 0 H ASN A 72 7.451 4.524 -9.050 1.00 0.00 H new ATOM 0 HA ASN A 72 10.318 4.138 -8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.836 5.449 -11.045 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.310 6.759 -10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.027 6.982 -10.750 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.582 6.781 -11.747 1.00 0.00 H new ATOM 1127 N ALA A 73 9.369 4.784 -6.565 1.00 0.00 N ATOM 1128 CA ALA A 73 9.201 5.286 -5.214 1.00 0.00 C ATOM 1129 C ALA A 73 10.564 5.621 -4.589 1.00 0.00 C ATOM 1130 O ALA A 73 10.653 5.709 -3.370 1.00 0.00 O ATOM 1131 CB ALA A 73 8.433 4.227 -4.409 1.00 0.00 C ATOM 0 H ALA A 73 9.573 3.785 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 73 8.630 6.214 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.292 4.578 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.461 4.054 -4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.000 3.296 -4.398 1.00 0.00 H new ATOM 1137 N MET A 74 11.653 5.745 -5.357 1.00 0.00 N ATOM 1138 CA MET A 74 13.000 5.623 -4.817 1.00 0.00 C ATOM 1139 C MET A 74 13.435 6.892 -4.084 1.00 0.00 C ATOM 1140 O MET A 74 14.134 6.799 -3.076 1.00 0.00 O ATOM 1141 CB MET A 74 13.984 5.283 -5.943 1.00 0.00 C ATOM 1142 CG MET A 74 13.964 3.797 -6.309 1.00 0.00 C ATOM 1143 SD MET A 74 15.302 3.346 -7.444 1.00 0.00 S ATOM 1144 CE MET A 74 15.206 1.539 -7.343 1.00 0.00 C ATOM 0 H MET A 74 11.620 5.931 -6.359 1.00 0.00 H new ATOM 0 HA MET A 74 12.998 4.814 -4.086 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.740 5.875 -6.825 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.992 5.565 -5.638 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.046 3.201 -5.400 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.005 3.551 -6.766 1.00 0.00 H new ATOM 0 HE1 MET A 74 16.088 1.156 -6.830 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.312 1.253 -6.790 1.00 0.00 H new ATOM 0 HE3 MET A 74 15.160 1.120 -8.348 1.00 0.00 H new ATOM 1154 N GLU A 75 13.042 8.077 -4.559 1.00 0.00 N ATOM 1155 CA GLU A 75 13.296 9.323 -3.839 1.00 0.00 C ATOM 1156 C GLU A 75 12.351 9.393 -2.623 1.00 0.00 C ATOM 1157 O GLU A 75 12.795 9.682 -1.509 1.00 0.00 O ATOM 1158 CB GLU A 75 13.161 10.552 -4.767 1.00 0.00 C ATOM 1159 CG GLU A 75 14.355 10.772 -5.727 1.00 0.00 C ATOM 1160 CD GLU A 75 14.344 12.104 -6.524 1.00 0.00 C ATOM 1161 OE1 GLU A 75 14.844 13.136 -6.013 1.00 0.00 O ATOM 1162 OE2 GLU A 75 13.979 12.127 -7.724 1.00 0.00 O ATOM 0 H GLU A 75 12.545 8.197 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 75 14.325 9.337 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.252 10.445 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.038 11.443 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.277 10.725 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.383 9.946 -6.437 1.00 0.00 H new ATOM 1169 N PHE A 76 11.072 9.030 -2.787 1.00 0.00 N ATOM 1170 CA PHE A 76 10.101 8.941 -1.700 1.00 0.00 C ATOM 1171 C PHE A 76 10.596 8.017 -0.587 1.00 0.00 C ATOM 1172 O PHE A 76 10.534 8.377 0.587 1.00 0.00 O ATOM 1173 CB PHE A 76 8.749 8.488 -2.281 1.00 0.00 C ATOM 1174 CG PHE A 76 7.792 7.868 -1.285 1.00 0.00 C ATOM 1175 CD1 PHE A 76 6.897 8.678 -0.568 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.801 6.476 -1.079 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.020 8.097 0.361 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.906 5.888 -0.168 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.026 6.703 0.562 1.00 0.00 C ATOM 0 H PHE A 76 10.681 8.787 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 76 9.972 9.920 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.263 9.349 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.937 7.767 -3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.883 9.746 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.499 5.857 -1.623 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.339 8.720 0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.895 4.817 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.352 6.260 1.280 1.00 0.00 H new ATOM 1189 N ALA A 77 11.098 6.836 -0.926 1.00 0.00 N ATOM 1190 CA ALA A 77 11.556 5.866 0.045 1.00 0.00 C ATOM 1191 C ALA A 77 12.864 6.328 0.687 1.00 0.00 C ATOM 1192 O ALA A 77 13.083 6.095 1.879 1.00 0.00 O ATOM 1193 CB ALA A 77 11.699 4.505 -0.628 1.00 0.00 C ATOM 0 H ALA A 77 11.197 6.527 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 77 10.823 5.773 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.044 3.773 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.734 4.193 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.422 4.575 -1.441 1.00 0.00 H new ATOM 1199 N LYS A 78 13.710 7.069 -0.038 1.00 0.00 N ATOM 1200 CA LYS A 78 14.902 7.677 0.547 1.00 0.00 C ATOM 1201 C LYS A 78 14.577 8.724 1.599 1.00 0.00 C ATOM 1202 O LYS A 78 15.392 8.895 2.516 1.00 0.00 O ATOM 1203 CB LYS A 78 15.799 8.273 -0.541 1.00 0.00 C ATOM 1204 CG LYS A 78 16.826 7.229 -0.985 1.00 0.00 C ATOM 1205 CD LYS A 78 17.890 7.872 -1.875 1.00 0.00 C ATOM 1206 CE LYS A 78 19.233 7.143 -1.761 1.00 0.00 C ATOM 1207 NZ LYS A 78 19.854 7.407 -0.444 1.00 0.00 N ATOM 0 H LYS A 78 13.587 7.260 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 78 15.440 6.876 1.054 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.195 8.589 -1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.307 9.160 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.297 6.779 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.327 6.426 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.555 7.859 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.017 8.917 -1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.084 6.071 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.901 7.471 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.876 7.224 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.694 8.399 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.429 6.783 0.271 1.00 0.00 H new ATOM 1221 N LYS A 79 13.405 9.364 1.547 1.00 0.00 N ATOM 1222 CA LYS A 79 12.920 10.184 2.658 1.00 0.00 C ATOM 1223 C LYS A 79 12.745 9.363 3.930 1.00 0.00 C ATOM 1224 O LYS A 79 12.850 9.936 5.016 1.00 0.00 O ATOM 1225 CB LYS A 79 11.625 10.912 2.316 1.00 0.00 C ATOM 1226 CG LYS A 79 11.872 11.958 1.215 1.00 0.00 C ATOM 1227 CD LYS A 79 10.630 12.828 1.024 1.00 0.00 C ATOM 1228 CE LYS A 79 9.607 12.120 0.118 1.00 0.00 C ATOM 1229 NZ LYS A 79 8.306 12.825 -0.011 1.00 0.00 N ATOM 0 H LYS A 79 12.775 9.329 0.746 1.00 0.00 H new ATOM 0 HA LYS A 79 13.687 10.937 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.874 10.195 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.228 11.399 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.725 12.582 1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.123 11.459 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.178 13.044 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.913 13.784 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.041 12.001 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.426 11.119 0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.845 12.544 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.694 12.573 0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.467 13.852 -0.014 1.00 0.00 H new ATOM 1243 N HIS A 80 12.524 8.051 3.831 1.00 0.00 N ATOM 1244 CA HIS A 80 12.344 7.144 4.956 1.00 0.00 C ATOM 1245 C HIS A 80 13.591 6.283 5.183 1.00 0.00 C ATOM 1246 O HIS A 80 13.569 5.352 5.988 1.00 0.00 O ATOM 1247 CB HIS A 80 11.123 6.265 4.680 1.00 0.00 C ATOM 1248 CG HIS A 80 9.864 7.014 4.310 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.992 6.691 3.294 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.418 8.178 4.873 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.041 7.638 3.263 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.229 8.541 4.238 1.00 0.00 N ATOM 0 H HIS A 80 12.464 7.578 2.930 1.00 0.00 H new ATOM 0 HA HIS A 80 12.187 7.724 5.865 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.367 5.575 3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.921 5.662 5.565 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.902 8.722 5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.232 7.669 2.548 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.626 9.331 4.468 1.00 0.00 H new ATOM 1260 N GLY A 81 14.695 6.579 4.490 1.00 0.00 N ATOM 1261 CA GLY A 81 15.940 5.850 4.652 1.00 0.00 C ATOM 1262 C GLY A 81 15.872 4.435 4.087 1.00 0.00 C ATOM 1263 O GLY A 81 16.533 3.542 4.621 1.00 0.00 O ATOM 0 H GLY A 81 14.743 7.332 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.743 6.396 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.193 5.802 5.711 1.00 0.00 H new ATOM 1267 N ALA A 82 15.082 4.221 3.035 1.00 0.00 N ATOM 1268 CA ALA A 82 15.296 3.087 2.152 1.00 0.00 C ATOM 1269 C ALA A 82 16.159 3.570 0.989 1.00 0.00 C ATOM 1270 O ALA A 82 15.821 4.567 0.354 1.00 0.00 O ATOM 1271 CB ALA A 82 13.962 2.514 1.691 1.00 0.00 C ATOM 0 H ALA A 82 14.295 4.817 2.779 1.00 0.00 H new ATOM 0 HA ALA A 82 15.811 2.276 2.666 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.139 1.665 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.388 2.186 2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.403 3.281 1.155 1.00 0.00 H new ATOM 1277 N ASP A 83 17.297 2.912 0.750 1.00 0.00 N ATOM 1278 CA ASP A 83 18.136 3.157 -0.412 1.00 0.00 C ATOM 1279 C ASP A 83 17.508 2.541 -1.670 1.00 0.00 C ATOM 1280 O ASP A 83 16.458 1.907 -1.637 1.00 0.00 O ATOM 1281 CB ASP A 83 19.576 2.643 -0.209 1.00 0.00 C ATOM 1282 CG ASP A 83 19.754 1.244 0.391 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.474 0.252 -0.321 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.211 1.150 1.552 1.00 0.00 O ATOM 0 H ASP A 83 17.660 2.187 1.369 1.00 0.00 H new ATOM 0 HA ASP A 83 18.199 4.237 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.078 2.660 -1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.098 3.352 0.433 1.00 0.00 H new ATOM 1289 N GLU A 84 18.164 2.748 -2.809 1.00 0.00 N ATOM 1290 CA GLU A 84 17.746 2.256 -4.116 1.00 0.00 C ATOM 1291 C GLU A 84 17.788 0.724 -4.165 1.00 0.00 C ATOM 1292 O GLU A 84 16.905 0.106 -4.750 1.00 0.00 O ATOM 1293 CB GLU A 84 18.644 2.945 -5.160 1.00 0.00 C ATOM 1294 CG GLU A 84 19.131 2.094 -6.333 1.00 0.00 C ATOM 1295 CD GLU A 84 19.873 2.957 -7.361 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.807 3.688 -6.940 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.463 2.970 -8.544 1.00 0.00 O ATOM 0 H GLU A 84 19.032 3.282 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 84 16.707 2.504 -4.332 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.099 3.798 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.519 3.342 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.791 1.307 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.282 1.603 -6.809 1.00 0.00 H new ATOM 1304 N THR A 85 18.777 0.098 -3.535 1.00 0.00 N ATOM 1305 CA THR A 85 18.906 -1.355 -3.517 1.00 0.00 C ATOM 1306 C THR A 85 17.811 -1.973 -2.635 1.00 0.00 C ATOM 1307 O THR A 85 17.239 -3.007 -2.981 1.00 0.00 O ATOM 1308 CB THR A 85 20.312 -1.696 -2.995 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.299 -0.958 -3.693 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.638 -3.183 -3.098 1.00 0.00 C ATOM 0 H THR A 85 19.512 0.584 -3.022 1.00 0.00 H new ATOM 0 HA THR A 85 18.781 -1.768 -4.518 1.00 0.00 H new ATOM 0 HB THR A 85 20.316 -1.424 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.186 -1.188 -3.345 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.643 -3.363 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.918 -3.755 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.586 -3.495 -4.141 1.00 0.00 H new ATOM 1318 N MET A 86 17.508 -1.345 -1.498 1.00 0.00 N ATOM 1319 CA MET A 86 16.371 -1.643 -0.646 1.00 0.00 C ATOM 1320 C MET A 86 15.073 -1.532 -1.433 1.00 0.00 C ATOM 1321 O MET A 86 14.276 -2.463 -1.375 1.00 0.00 O ATOM 1322 CB MET A 86 16.378 -0.650 0.529 1.00 0.00 C ATOM 1323 CG MET A 86 17.264 -1.066 1.700 1.00 0.00 C ATOM 1324 SD MET A 86 17.211 0.119 3.065 1.00 0.00 S ATOM 1325 CE MET A 86 18.163 -0.788 4.292 1.00 0.00 C ATOM 0 H MET A 86 18.079 -0.581 -1.135 1.00 0.00 H new ATOM 0 HA MET A 86 16.443 -2.664 -0.270 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.710 0.322 0.165 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.357 -0.524 0.889 1.00 0.00 H new ATOM 0 HG2 MET A 86 16.948 -2.045 2.061 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.292 -1.171 1.354 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.098 -0.278 5.253 1.00 0.00 H new ATOM 0 HE2 MET A 86 17.763 -1.797 4.390 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.206 -0.840 3.978 1.00 0.00 H new ATOM 1335 N ALA A 87 14.883 -0.445 -2.178 1.00 0.00 N ATOM 1336 CA ALA A 87 13.709 -0.279 -3.016 1.00 0.00 C ATOM 1337 C ALA A 87 13.618 -1.430 -4.003 1.00 0.00 C ATOM 1338 O ALA A 87 12.646 -2.178 -4.016 1.00 0.00 O ATOM 1339 CB ALA A 87 13.748 1.094 -3.699 1.00 0.00 C ATOM 0 H ALA A 87 15.536 0.337 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 87 12.803 -0.306 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.865 1.213 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.763 1.877 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.644 1.168 -4.315 1.00 0.00 H new ATOM 1345 N GLN A 88 14.654 -1.610 -4.817 1.00 0.00 N ATOM 1346 CA GLN A 88 14.633 -2.577 -5.896 1.00 0.00 C ATOM 1347 C GLN A 88 14.381 -4.003 -5.383 1.00 0.00 C ATOM 1348 O GLN A 88 13.688 -4.759 -6.062 1.00 0.00 O ATOM 1349 CB GLN A 88 15.930 -2.455 -6.707 1.00 0.00 C ATOM 1350 CG GLN A 88 15.747 -3.008 -8.129 1.00 0.00 C ATOM 1351 CD GLN A 88 15.030 -2.017 -9.063 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.642 -1.137 -9.664 1.00 0.00 O ATOM 1353 NE2 GLN A 88 13.714 -2.113 -9.208 1.00 0.00 N ATOM 0 H GLN A 88 15.527 -1.088 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 88 13.795 -2.359 -6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.235 -1.410 -6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.730 -2.997 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.723 -3.254 -8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.177 -3.936 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.198 -2.840 -8.713 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.219 -1.459 -9.815 1.00 0.00 H new ATOM 1362 N GLN A 89 14.884 -4.348 -4.192 1.00 0.00 N ATOM 1363 CA GLN A 89 14.541 -5.583 -3.491 1.00 0.00 C ATOM 1364 C GLN A 89 13.021 -5.716 -3.327 1.00 0.00 C ATOM 1365 O GLN A 89 12.455 -6.747 -3.683 1.00 0.00 O ATOM 1366 CB GLN A 89 15.260 -5.629 -2.124 1.00 0.00 C ATOM 1367 CG GLN A 89 16.658 -6.260 -2.191 1.00 0.00 C ATOM 1368 CD GLN A 89 16.611 -7.789 -2.164 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.790 -8.418 -2.818 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.481 -8.431 -1.400 1.00 0.00 N ATOM 0 H GLN A 89 15.550 -3.766 -3.684 1.00 0.00 H new ATOM 0 HA GLN A 89 14.879 -6.431 -4.086 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.345 -4.615 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.649 -6.192 -1.419 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.159 -5.931 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.255 -5.903 -1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.165 -7.907 -0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.467 -9.450 -1.357 1.00 0.00 H new ATOM 1379 N LEU A 90 12.352 -4.703 -2.776 1.00 0.00 N ATOM 1380 CA LEU A 90 10.919 -4.762 -2.509 1.00 0.00 C ATOM 1381 C LEU A 90 10.098 -4.759 -3.803 1.00 0.00 C ATOM 1382 O LEU A 90 9.100 -5.473 -3.890 1.00 0.00 O ATOM 1383 CB LEU A 90 10.513 -3.579 -1.621 1.00 0.00 C ATOM 1384 CG LEU A 90 11.134 -3.519 -0.210 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.655 -2.250 0.500 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.811 -4.709 0.708 1.00 0.00 C ATOM 0 H LEU A 90 12.788 -3.822 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 90 10.710 -5.699 -1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.771 -2.658 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.428 -3.592 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 90 12.210 -3.537 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.092 -2.204 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.963 -1.375 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.568 -2.266 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.296 -4.566 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.732 -4.776 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.175 -5.630 0.252 1.00 0.00 H new ATOM 1398 N ILE A 91 10.518 -3.993 -4.807 1.00 0.00 N ATOM 1399 CA ILE A 91 9.920 -3.958 -6.142 1.00 0.00 C ATOM 1400 C ILE A 91 9.917 -5.375 -6.747 1.00 0.00 C ATOM 1401 O ILE A 91 8.907 -5.848 -7.273 1.00 0.00 O ATOM 1402 CB ILE A 91 10.701 -2.900 -6.962 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.215 -1.467 -6.626 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.680 -3.154 -8.479 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.331 -0.423 -6.588 1.00 0.00 C ATOM 0 H ILE A 91 11.310 -3.358 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 91 8.872 -3.658 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 91 11.744 -2.996 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.473 -1.164 -7.365 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.713 -1.482 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.247 -2.373 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.128 -4.124 -8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.650 -3.144 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.909 0.552 -6.346 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.062 -0.700 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.819 -0.376 -7.562 1.00 0.00 H new ATOM 1417 N ASP A 92 11.041 -6.092 -6.645 1.00 0.00 N ATOM 1418 CA ASP A 92 11.166 -7.445 -7.198 1.00 0.00 C ATOM 1419 C ASP A 92 10.175 -8.389 -6.559 1.00 0.00 C ATOM 1420 O ASP A 92 9.524 -9.184 -7.235 1.00 0.00 O ATOM 1421 CB ASP A 92 12.570 -8.006 -6.949 1.00 0.00 C ATOM 1422 CG ASP A 92 12.979 -9.074 -7.974 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.692 -8.903 -9.181 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.649 -10.062 -7.583 1.00 0.00 O ATOM 0 H ASP A 92 11.884 -5.754 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 92 10.972 -7.369 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.292 -7.190 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.611 -8.436 -5.948 1.00 0.00 H new ATOM 1429 N ILE A 93 10.071 -8.281 -5.241 1.00 0.00 N ATOM 1430 CA ILE A 93 9.092 -8.999 -4.453 1.00 0.00 C ATOM 1431 C ILE A 93 7.660 -8.705 -4.911 1.00 0.00 C ATOM 1432 O ILE A 93 6.889 -9.663 -4.952 1.00 0.00 O ATOM 1433 CB ILE A 93 9.304 -8.689 -2.961 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.648 -9.292 -2.504 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.127 -9.229 -2.139 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.053 -8.925 -1.073 1.00 0.00 C ATOM 0 H ILE A 93 10.678 -7.680 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 93 9.237 -10.069 -4.605 1.00 0.00 H new ATOM 0 HB ILE A 93 9.343 -7.611 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.592 -10.377 -2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.431 -8.961 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.286 -9.005 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.203 -8.758 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.054 -10.308 -2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.009 -9.391 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.145 -7.842 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.293 -9.280 -0.377 1.00 0.00 H new ATOM 1448 N VAL A 94 7.272 -7.459 -5.211 1.00 0.00 N ATOM 1449 CA VAL A 94 5.900 -7.134 -5.625 1.00 0.00 C ATOM 1450 C VAL A 94 5.561 -7.948 -6.849 1.00 0.00 C ATOM 1451 O VAL A 94 4.648 -8.779 -6.812 1.00 0.00 O ATOM 1452 CB VAL A 94 5.716 -5.622 -5.885 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.416 -5.217 -6.623 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.710 -4.965 -4.516 1.00 0.00 C ATOM 0 H VAL A 94 7.895 -6.652 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 94 5.216 -7.387 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 94 6.523 -5.305 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.392 -4.135 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.387 -5.699 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.552 -5.532 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.583 -3.888 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.888 -5.367 -3.923 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.655 -5.167 -4.011 1.00 0.00 H new ATOM 1464 N HIS A 95 6.336 -7.763 -7.914 1.00 0.00 N ATOM 1465 CA HIS A 95 6.033 -8.430 -9.158 1.00 0.00 C ATOM 1466 C HIS A 95 6.241 -9.934 -8.959 1.00 0.00 C ATOM 1467 O HIS A 95 5.545 -10.751 -9.549 1.00 0.00 O ATOM 1468 CB HIS A 95 6.897 -7.806 -10.259 1.00 0.00 C ATOM 1469 CG HIS A 95 6.693 -6.315 -10.432 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.633 -5.431 -10.913 1.00 0.00 N ATOM 1471 CD2 HIS A 95 5.557 -5.597 -10.150 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.051 -4.220 -10.957 1.00 0.00 C ATOM 1473 NE2 HIS A 95 5.781 -4.272 -10.531 1.00 0.00 N ATOM 0 H HIS A 95 7.163 -7.166 -7.934 1.00 0.00 H new ATOM 0 HA HIS A 95 4.996 -8.301 -9.469 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.947 -7.995 -10.034 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.679 -8.304 -11.204 1.00 0.00 H new ATOM 0 HD1 HIS A 95 8.591 -5.653 -11.185 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.651 -5.988 -9.711 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.544 -3.320 -11.293 1.00 0.00 H new ATOM 1481 N GLY A 96 7.181 -10.324 -8.099 1.00 0.00 N ATOM 1482 CA GLY A 96 7.449 -11.704 -7.730 1.00 0.00 C ATOM 1483 C GLY A 96 6.247 -12.373 -7.062 1.00 0.00 C ATOM 1484 O GLY A 96 6.002 -13.567 -7.258 1.00 0.00 O ATOM 0 H GLY A 96 7.795 -9.661 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.727 -12.268 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.302 -11.737 -7.053 1.00 0.00 H new ATOM 1488 N CYS A 97 5.487 -11.598 -6.298 1.00 0.00 N ATOM 1489 CA CYS A 97 4.328 -12.030 -5.539 1.00 0.00 C ATOM 1490 C CYS A 97 3.110 -12.082 -6.439 1.00 0.00 C ATOM 1491 O CYS A 97 2.280 -12.965 -6.246 1.00 0.00 O ATOM 1492 CB CYS A 97 4.046 -11.097 -4.353 1.00 0.00 C ATOM 1493 SG CYS A 97 5.023 -11.374 -2.850 1.00 0.00 S ATOM 0 H CYS A 97 5.675 -10.602 -6.188 1.00 0.00 H new ATOM 0 HA CYS A 97 4.543 -13.024 -5.146 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.210 -10.070 -4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.991 -11.185 -4.094 1.00 0.00 H new ATOM 1498 N GLU A 98 2.999 -11.202 -7.435 1.00 0.00 N ATOM 1499 CA GLU A 98 1.979 -11.318 -8.468 1.00 0.00 C ATOM 1500 C GLU A 98 2.029 -12.719 -9.090 1.00 0.00 C ATOM 1501 O GLU A 98 0.992 -13.359 -9.272 1.00 0.00 O ATOM 1502 CB GLU A 98 2.160 -10.211 -9.511 1.00 0.00 C ATOM 1503 CG GLU A 98 1.810 -8.824 -8.945 1.00 0.00 C ATOM 1504 CD GLU A 98 1.779 -7.711 -10.010 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.534 -8.026 -11.201 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.920 -6.522 -9.648 1.00 0.00 O ATOM 0 H GLU A 98 3.612 -10.394 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 98 0.989 -11.189 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.192 -10.209 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.529 -10.420 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.837 -8.875 -8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.538 -8.560 -8.177 1.00 0.00 H new ATOM 1513 N LYS A 99 3.237 -13.231 -9.337 1.00 0.00 N ATOM 1514 CA LYS A 99 3.456 -14.488 -10.052 1.00 0.00 C ATOM 1515 C LYS A 99 3.216 -15.736 -9.208 1.00 0.00 C ATOM 1516 O LYS A 99 2.940 -16.799 -9.781 1.00 0.00 O ATOM 1517 CB LYS A 99 4.887 -14.495 -10.583 1.00 0.00 C ATOM 1518 CG LYS A 99 5.021 -13.581 -11.815 1.00 0.00 C ATOM 1519 CD LYS A 99 6.359 -12.856 -11.875 1.00 0.00 C ATOM 1520 CE LYS A 99 7.564 -13.764 -12.105 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.814 -12.976 -12.153 1.00 0.00 N ATOM 0 H LYS A 99 4.101 -12.777 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 99 2.724 -14.531 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.570 -14.162 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.176 -15.512 -10.847 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.896 -14.178 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.216 -12.846 -11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.321 -12.116 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.504 -12.311 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.625 -14.503 -11.306 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.439 -14.313 -13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.620 -13.614 -12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.761 -12.287 -12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.942 -12.472 -11.252 1.00 0.00 H new ATOM 1535 N SER A 100 3.367 -15.667 -7.885 1.00 0.00 N ATOM 1536 CA SER A 100 2.978 -16.770 -7.014 1.00 0.00 C ATOM 1537 C SER A 100 1.466 -16.730 -6.782 1.00 0.00 C ATOM 1538 O SER A 100 0.811 -17.774 -6.689 1.00 0.00 O ATOM 1539 CB SER A 100 3.779 -16.711 -5.705 1.00 0.00 C ATOM 1540 OG SER A 100 3.730 -15.450 -5.067 1.00 0.00 O ATOM 0 H SER A 100 3.755 -14.860 -7.397 1.00 0.00 H new ATOM 0 HA SER A 100 3.210 -17.724 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.398 -17.470 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.819 -16.963 -5.914 1.00 0.00 H new ATOM 0 HG SER A 100 4.257 -15.480 -4.242 1.00 0.00 H new ATOM 1546 N THR A 101 0.906 -15.522 -6.703 1.00 0.00 N ATOM 1547 CA THR A 101 -0.504 -15.302 -6.423 1.00 0.00 C ATOM 1548 C THR A 101 -1.319 -15.864 -7.596 1.00 0.00 C ATOM 1549 O THR A 101 -1.052 -15.515 -8.747 1.00 0.00 O ATOM 1550 CB THR A 101 -0.750 -13.810 -6.150 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.021 -13.420 -5.029 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.202 -13.490 -5.803 1.00 0.00 C ATOM 0 H THR A 101 1.432 -14.658 -6.835 1.00 0.00 H new ATOM 0 HA THR A 101 -0.826 -15.826 -5.523 1.00 0.00 H new ATOM 0 HB THR A 101 -0.482 -13.282 -7.065 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.929 -13.192 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.306 -12.420 -5.622 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.847 -13.782 -6.632 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.491 -14.039 -4.907 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.287 -16.764 -7.351 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.100 -17.321 -8.419 1.00 0.00 C ATOM 1562 C PRO A 102 -3.882 -16.175 -9.068 1.00 0.00 C ATOM 1563 O PRO A 102 -4.397 -15.301 -8.367 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.985 -18.377 -7.750 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.107 -17.880 -6.310 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.743 -17.244 -6.056 1.00 0.00 C ATOM 0 HA PRO A 102 -2.533 -17.795 -9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.959 -18.449 -8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.532 -19.368 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.917 -17.159 -6.198 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -4.309 -18.696 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.819 -16.426 -5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.044 -17.969 -5.639 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.925 -16.162 -10.403 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.601 -15.159 -11.217 1.00 0.00 C ATOM 1576 C ALA A 103 -6.099 -15.195 -10.917 1.00 0.00 C ATOM 1577 O ALA A 103 -6.839 -16.004 -11.479 1.00 0.00 O ATOM 1578 CB ALA A 103 -4.274 -15.395 -12.699 1.00 0.00 C ATOM 0 H ALA A 103 -3.470 -16.881 -10.965 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.249 -14.157 -10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.780 -14.645 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.197 -15.319 -12.851 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.613 -16.389 -12.993 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.508 -14.365 -9.959 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.867 -14.307 -9.457 1.00 0.00 C ATOM 1586 C ASN A 104 -8.736 -13.509 -10.419 1.00 0.00 C ATOM 1587 O ASN A 104 -8.287 -12.575 -11.074 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.910 -13.670 -8.058 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.146 -14.075 -7.266 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.219 -14.334 -7.788 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -9.031 -14.272 -5.975 1.00 0.00 N ATOM 0 H ASN A 104 -5.883 -13.700 -9.503 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.250 -15.324 -9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.017 -13.960 -7.504 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.886 -12.585 -8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.823 -14.630 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.150 -14.067 -5.504 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.008 -13.854 -10.456 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.090 -13.121 -11.036 1.00 0.00 C ATOM 1600 C ASP A 105 -11.367 -11.802 -10.304 1.00 0.00 C ATOM 1601 O ASP A 105 -11.783 -10.844 -10.950 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.290 -14.060 -11.010 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.525 -13.474 -11.675 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.463 -13.184 -12.888 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.583 -13.492 -11.000 1.00 0.00 O ATOM 0 H ASP A 105 -10.326 -14.731 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.851 -12.817 -12.055 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.024 -14.992 -11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.526 -14.309 -9.975 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.098 -11.700 -8.990 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.226 -10.422 -8.274 1.00 0.00 C ATOM 1612 C ASP A 106 -9.854 -9.772 -8.181 1.00 0.00 C ATOM 1613 O ASP A 106 -8.969 -10.302 -7.494 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.765 -10.554 -6.840 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.203 -9.197 -6.259 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.025 -8.136 -6.906 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -12.714 -9.175 -5.121 1.00 0.00 O ATOM 0 H ASP A 106 -10.793 -12.481 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.943 -9.830 -8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.611 -11.241 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.996 -10.990 -6.203 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.670 -8.612 -8.816 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.424 -7.869 -8.692 1.00 0.00 C ATOM 1624 C LYS A 107 -8.166 -7.472 -7.239 1.00 0.00 C ATOM 1625 O LYS A 107 -7.006 -7.423 -6.838 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.410 -6.652 -9.643 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.142 -6.635 -10.512 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.354 -7.479 -11.777 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.542 -6.602 -13.009 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.266 -6.056 -13.529 1.00 0.00 N ATOM 0 H LYS A 107 -10.367 -8.173 -9.417 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.603 -8.520 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.292 -6.678 -10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.466 -5.732 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.895 -5.610 -10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.298 -7.025 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.497 -8.137 -11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.228 -8.118 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.028 -7.184 -13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.211 -5.777 -12.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.455 -5.468 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.811 -5.477 -12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.635 -6.840 -13.792 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.204 -7.256 -6.421 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.027 -6.984 -5.003 1.00 0.00 C ATOM 1646 C CYS A 108 -8.347 -8.166 -4.309 1.00 0.00 C ATOM 1647 O CYS A 108 -7.333 -8.004 -3.636 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.375 -6.709 -4.340 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.351 -5.336 -4.981 1.00 0.00 S ATOM 0 H CYS A 108 -10.177 -7.266 -6.726 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.394 -6.102 -4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -10.978 -7.614 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.198 -6.530 -3.279 1.00 0.00 H new ATOM 1654 N ILE A 109 -8.918 -9.364 -4.422 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.442 -10.541 -3.703 1.00 0.00 C ATOM 1656 C ILE A 109 -7.068 -10.975 -4.212 1.00 0.00 C ATOM 1657 O ILE A 109 -6.233 -11.423 -3.423 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.484 -11.666 -3.834 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -10.817 -11.235 -3.209 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -8.967 -12.936 -3.146 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -11.937 -12.238 -3.484 1.00 0.00 C ATOM 0 H ILE A 109 -9.726 -9.545 -5.017 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.321 -10.300 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.647 -11.873 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.691 -11.121 -2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.102 -10.259 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.708 -13.729 -3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.036 -13.251 -3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.789 -12.731 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.860 -11.889 -3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.084 -12.333 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.667 -13.208 -3.067 1.00 0.00 H new ATOM 1673 N TRP A 110 -6.829 -10.865 -5.515 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.493 -10.993 -6.074 1.00 0.00 C ATOM 1675 C TRP A 110 -4.539 -10.063 -5.327 1.00 0.00 C ATOM 1676 O TRP A 110 -3.625 -10.546 -4.670 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.509 -10.689 -7.568 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.164 -10.730 -8.208 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.525 -11.839 -8.635 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.315 -9.610 -8.578 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.328 -11.481 -9.222 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.191 -10.112 -9.294 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.452 -8.211 -8.485 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.284 -9.259 -9.936 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.542 -7.347 -9.114 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.466 -7.868 -9.845 1.00 0.00 C ATOM 0 H TRP A 110 -7.555 -10.685 -6.209 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.144 -12.019 -5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.160 -11.406 -8.068 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.944 -9.702 -7.723 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.893 -12.849 -8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.633 -12.146 -9.560 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.273 -7.795 -7.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.454 -9.666 -10.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.671 -6.278 -9.034 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.776 -7.200 -10.339 1.00 0.00 H new ATOM 1697 N THR A 111 -4.790 -8.754 -5.352 1.00 0.00 N ATOM 1698 CA THR A 111 -3.960 -7.729 -4.728 1.00 0.00 C ATOM 1699 C THR A 111 -3.688 -8.034 -3.240 1.00 0.00 C ATOM 1700 O THR A 111 -2.565 -7.893 -2.756 1.00 0.00 O ATOM 1701 CB THR A 111 -4.676 -6.384 -4.939 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.782 -6.067 -6.305 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.994 -5.235 -4.223 1.00 0.00 C ATOM 0 H THR A 111 -5.607 -8.367 -5.825 1.00 0.00 H new ATOM 0 HA THR A 111 -2.972 -7.699 -5.188 1.00 0.00 H new ATOM 0 HB THR A 111 -5.670 -6.513 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.529 -6.563 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.544 -4.313 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.973 -5.435 -3.152 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.974 -5.130 -4.593 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.706 -8.494 -2.509 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.612 -8.957 -1.124 1.00 0.00 C ATOM 1713 C LEU A 112 -3.621 -10.111 -0.979 1.00 0.00 C ATOM 1714 O LEU A 112 -2.832 -10.138 -0.036 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.005 -9.381 -0.684 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.184 -9.741 0.804 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -5.291 -9.024 1.817 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.597 -9.311 1.133 1.00 0.00 C ATOM 0 H LEU A 112 -5.654 -8.556 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.240 -8.151 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.697 -8.574 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.302 -10.244 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.934 -10.798 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.526 -9.375 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.245 -9.235 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.464 -7.949 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.810 -9.532 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.701 -8.240 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.299 -9.851 0.498 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.665 -11.063 -1.908 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.648 -12.088 -2.092 1.00 0.00 C ATOM 1732 C GLY A 113 -1.267 -11.462 -2.230 1.00 0.00 C ATOM 1733 O GLY A 113 -0.414 -11.703 -1.374 1.00 0.00 O ATOM 0 H GLY A 113 -4.435 -11.142 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.658 -12.773 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.876 -12.677 -2.981 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.072 -10.616 -3.248 1.00 0.00 N ATOM 1738 CA VAL A 114 0.204 -9.976 -3.570 1.00 0.00 C ATOM 1739 C VAL A 114 0.802 -9.331 -2.312 1.00 0.00 C ATOM 1740 O VAL A 114 1.941 -9.615 -1.952 1.00 0.00 O ATOM 1741 CB VAL A 114 0.037 -8.967 -4.737 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.383 -8.390 -5.194 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.596 -9.591 -5.989 1.00 0.00 C ATOM 0 H VAL A 114 -1.821 -10.352 -3.888 1.00 0.00 H new ATOM 0 HA VAL A 114 0.909 -10.733 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.613 -8.194 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.219 -7.689 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.858 -7.872 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.029 -9.199 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.685 -8.834 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.032 -10.407 -6.346 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.585 -9.976 -5.743 1.00 0.00 H new ATOM 1753 N ALA A 115 0.036 -8.506 -1.596 1.00 0.00 N ATOM 1754 CA ALA A 115 0.516 -7.832 -0.396 1.00 0.00 C ATOM 1755 C ALA A 115 0.693 -8.758 0.813 1.00 0.00 C ATOM 1756 O ALA A 115 1.596 -8.522 1.616 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.453 -6.717 -0.030 1.00 0.00 C ATOM 0 H ALA A 115 -0.932 -8.289 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 115 1.506 -7.444 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.100 -6.208 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -0.514 -6.003 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.440 -7.140 0.157 1.00 0.00 H new ATOM 1763 N THR A 116 -0.161 -9.769 0.999 1.00 0.00 N ATOM 1764 CA THR A 116 0.012 -10.750 2.069 1.00 0.00 C ATOM 1765 C THR A 116 1.334 -11.498 1.855 1.00 0.00 C ATOM 1766 O THR A 116 2.095 -11.649 2.817 1.00 0.00 O ATOM 1767 CB THR A 116 -1.207 -11.702 2.104 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.395 -11.006 2.434 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.051 -12.872 3.071 1.00 0.00 C ATOM 0 H THR A 116 -0.983 -9.928 0.417 1.00 0.00 H new ATOM 0 HA THR A 116 0.063 -10.256 3.039 1.00 0.00 H new ATOM 0 HB THR A 116 -1.268 -12.109 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.890 -10.798 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.946 -13.493 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.185 -13.468 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.910 -12.492 4.083 1.00 0.00 H new ATOM 1777 N CYS A 117 1.612 -11.911 0.612 1.00 0.00 N ATOM 1778 CA CYS A 117 2.886 -12.451 0.175 1.00 0.00 C ATOM 1779 C CYS A 117 3.992 -11.449 0.504 1.00 0.00 C ATOM 1780 O CYS A 117 4.918 -11.808 1.225 1.00 0.00 O ATOM 1781 CB CYS A 117 2.803 -12.808 -1.317 1.00 0.00 C ATOM 1782 SG CYS A 117 4.367 -13.177 -2.159 1.00 0.00 S ATOM 0 H CYS A 117 0.923 -11.873 -0.139 1.00 0.00 H new ATOM 0 HA CYS A 117 3.128 -13.374 0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.148 -13.673 -1.423 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.324 -11.979 -1.838 1.00 0.00 H new ATOM 1787 N PHE A 118 3.887 -10.194 0.048 1.00 0.00 N ATOM 1788 CA PHE A 118 4.931 -9.196 0.194 1.00 0.00 C ATOM 1789 C PHE A 118 5.380 -9.050 1.655 1.00 0.00 C ATOM 1790 O PHE A 118 6.530 -9.338 1.982 1.00 0.00 O ATOM 1791 CB PHE A 118 4.437 -7.875 -0.412 1.00 0.00 C ATOM 1792 CG PHE A 118 5.404 -6.712 -0.342 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.756 -6.916 -0.038 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.958 -5.410 -0.607 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.663 -5.857 -0.033 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.861 -4.338 -0.567 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.207 -4.552 -0.258 1.00 0.00 C ATOM 0 H PHE A 118 3.060 -9.848 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 118 5.821 -9.515 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 118 4.184 -8.050 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.516 -7.587 0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.102 -7.912 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.919 -5.232 -0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.712 -6.042 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.513 -3.337 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.890 -3.718 -0.193 1.00 0.00 H new ATOM 1807 N LYS A 119 4.485 -8.639 2.548 1.00 0.00 N ATOM 1808 CA LYS A 119 4.708 -8.501 3.984 1.00 0.00 C ATOM 1809 C LYS A 119 5.496 -9.683 4.557 1.00 0.00 C ATOM 1810 O LYS A 119 6.398 -9.489 5.375 1.00 0.00 O ATOM 1811 CB LYS A 119 3.336 -8.357 4.667 1.00 0.00 C ATOM 1812 CG LYS A 119 3.432 -7.609 6.007 1.00 0.00 C ATOM 1813 CD LYS A 119 3.142 -6.094 5.952 1.00 0.00 C ATOM 1814 CE LYS A 119 4.383 -5.188 5.903 1.00 0.00 C ATOM 1815 NZ LYS A 119 5.185 -5.192 7.153 1.00 0.00 N ATOM 0 H LYS A 119 3.537 -8.380 2.276 1.00 0.00 H new ATOM 0 HA LYS A 119 5.315 -7.616 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.655 -7.824 4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.909 -9.346 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.735 -8.068 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.434 -7.754 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.529 -5.890 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.549 -5.823 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.018 -5.504 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.066 -4.167 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.984 -4.533 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.587 -4.895 7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.547 -6.151 7.330 1.00 0.00 H new ATOM 1829 N ALA A 120 5.172 -10.899 4.116 1.00 0.00 N ATOM 1830 CA ALA A 120 5.872 -12.107 4.520 1.00 0.00 C ATOM 1831 C ALA A 120 7.221 -12.330 3.810 1.00 0.00 C ATOM 1832 O ALA A 120 8.113 -12.930 4.409 1.00 0.00 O ATOM 1833 CB ALA A 120 4.964 -13.308 4.286 1.00 0.00 C ATOM 0 H ALA A 120 4.408 -11.069 3.462 1.00 0.00 H new ATOM 0 HA ALA A 120 6.111 -11.986 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.481 -14.219 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.054 -13.196 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.706 -13.369 3.229 1.00 0.00 H new ATOM 1839 N GLU A 121 7.439 -11.908 2.562 1.00 0.00 N ATOM 1840 CA GLU A 121 8.760 -11.923 1.934 1.00 0.00 C ATOM 1841 C GLU A 121 9.724 -10.959 2.621 1.00 0.00 C ATOM 1842 O GLU A 121 10.918 -11.237 2.705 1.00 0.00 O ATOM 1843 CB GLU A 121 8.660 -11.537 0.460 1.00 0.00 C ATOM 1844 CG GLU A 121 7.925 -12.570 -0.394 1.00 0.00 C ATOM 1845 CD GLU A 121 8.569 -13.953 -0.316 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.679 -14.167 -0.857 1.00 0.00 O ATOM 1847 OE2 GLU A 121 8.002 -14.816 0.388 1.00 0.00 O ATOM 0 H GLU A 121 6.701 -11.545 1.958 1.00 0.00 H new ATOM 0 HA GLU A 121 9.143 -12.939 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.147 -10.579 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.664 -11.396 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.887 -12.636 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.911 -12.236 -1.432 1.00 0.00 H new ATOM 1854 N ILE A 122 9.229 -9.848 3.168 1.00 0.00 N ATOM 1855 CA ILE A 122 10.030 -8.974 4.013 1.00 0.00 C ATOM 1856 C ILE A 122 10.554 -9.764 5.222 1.00 0.00 C ATOM 1857 O ILE A 122 11.660 -9.515 5.692 1.00 0.00 O ATOM 1858 CB ILE A 122 9.204 -7.736 4.414 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.732 -6.946 3.179 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.975 -6.854 5.402 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.814 -5.766 3.515 1.00 0.00 C ATOM 0 H ILE A 122 8.268 -9.534 3.037 1.00 0.00 H new ATOM 0 HA ILE A 122 10.901 -8.610 3.468 1.00 0.00 H new ATOM 0 HB ILE A 122 8.307 -8.085 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.604 -6.574 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.207 -7.623 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.368 -5.988 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 122 10.202 -7.427 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.904 -6.518 4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.523 -5.258 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.923 -6.132 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.342 -5.067 4.164 1.00 0.00 H new ATOM 1873 N HIS A 123 9.813 -10.760 5.714 1.00 0.00 N ATOM 1874 CA HIS A 123 10.278 -11.609 6.806 1.00 0.00 C ATOM 1875 C HIS A 123 11.467 -12.495 6.408 1.00 0.00 C ATOM 1876 O HIS A 123 12.118 -13.074 7.272 1.00 0.00 O ATOM 1877 CB HIS A 123 9.118 -12.470 7.298 1.00 0.00 C ATOM 1878 CG HIS A 123 9.295 -12.905 8.719 1.00 0.00 C ATOM 1879 ND1 HIS A 123 9.700 -14.151 9.140 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.159 -12.104 9.815 1.00 0.00 C ATOM 1881 CE1 HIS A 123 9.793 -14.108 10.478 1.00 0.00 C ATOM 1882 NE2 HIS A 123 9.513 -12.872 10.923 1.00 0.00 N ATOM 0 H HIS A 123 8.883 -10.997 5.368 1.00 0.00 H new ATOM 0 HA HIS A 123 10.633 -10.957 7.604 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.188 -11.909 7.205 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.025 -13.349 6.660 1.00 0.00 H new ATOM 0 HD2 HIS A 123 8.839 -11.073 9.823 1.00 0.00 H new ATOM 0 HE1 HIS A 123 10.055 -14.946 11.106 1.00 0.00 H new ATOM 0 HE2 HIS A 123 9.552 -12.554 11.892 1.00 0.00 H new ATOM 1890 N LYS A 124 11.745 -12.617 5.109 1.00 0.00 N ATOM 1891 CA LYS A 124 12.877 -13.365 4.567 1.00 0.00 C ATOM 1892 C LYS A 124 14.074 -12.430 4.328 1.00 0.00 C ATOM 1893 O LYS A 124 15.204 -12.918 4.302 1.00 0.00 O ATOM 1894 CB LYS A 124 12.438 -14.102 3.281 1.00 0.00 C ATOM 1895 CG LYS A 124 11.314 -15.136 3.531 1.00 0.00 C ATOM 1896 CD LYS A 124 10.421 -15.425 2.312 1.00 0.00 C ATOM 1897 CE LYS A 124 10.747 -16.690 1.504 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.837 -16.829 0.339 1.00 0.00 N ATOM 0 H LYS A 124 11.171 -12.185 4.385 1.00 0.00 H new ATOM 0 HA LYS A 124 13.204 -14.116 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.095 -13.371 2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.300 -14.608 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.766 -16.071 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.686 -14.779 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.389 -15.497 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.475 -14.568 1.640 1.00 0.00 H new ATOM 0 HE2 LYS A 124 11.780 -16.649 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.659 -17.567 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.623 -17.835 0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.954 -16.312 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.296 -16.437 -0.508 1.00 0.00 H new ATOM 1912 N LEU A 125 13.863 -11.114 4.167 1.00 0.00 N ATOM 1913 CA LEU A 125 14.928 -10.108 4.128 1.00 0.00 C ATOM 1914 C LEU A 125 15.578 -9.972 5.509 1.00 0.00 C ATOM 1915 O LEU A 125 15.008 -10.359 6.527 1.00 0.00 O ATOM 1916 CB LEU A 125 14.369 -8.730 3.706 1.00 0.00 C ATOM 1917 CG LEU A 125 14.094 -8.584 2.192 1.00 0.00 C ATOM 1918 CD1 LEU A 125 13.171 -7.402 1.858 1.00 0.00 C ATOM 1919 CD2 LEU A 125 15.440 -8.342 1.498 1.00 0.00 C ATOM 0 H LEU A 125 12.930 -10.716 4.059 1.00 0.00 H new ATOM 0 HA LEU A 125 15.668 -10.435 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.442 -8.546 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.075 -7.957 4.010 1.00 0.00 H new ATOM 0 HG LEU A 125 13.597 -9.493 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 125 13.017 -7.354 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.211 -7.538 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.629 -6.474 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 125 15.282 -8.234 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.894 -7.432 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 125 16.102 -9.187 1.684 1.00 0.00 H new ATOM 1931 N ASN A 126 16.758 -9.347 5.544 1.00 0.00 N ATOM 1932 CA ASN A 126 17.554 -9.059 6.752 1.00 0.00 C ATOM 1933 C ASN A 126 17.268 -7.653 7.325 1.00 0.00 C ATOM 1934 O ASN A 126 17.836 -7.258 8.349 1.00 0.00 O ATOM 1935 CB ASN A 126 19.042 -9.278 6.397 1.00 0.00 C ATOM 1936 CG ASN A 126 20.048 -8.755 7.422 1.00 0.00 C ATOM 1937 OD1 ASN A 126 20.330 -9.368 8.448 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.658 -7.618 7.145 1.00 0.00 N ATOM 0 H ASN A 126 17.210 -9.010 4.694 1.00 0.00 H new ATOM 0 HA ASN A 126 17.272 -9.739 7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.211 -10.346 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.243 -8.798 5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.363 -7.249 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.424 -7.108 6.293 1.00 0.00 H new ATOM 1945 N TRP A 127 16.381 -6.883 6.682 1.00 0.00 N ATOM 1946 CA TRP A 127 15.960 -5.560 7.156 1.00 0.00 C ATOM 1947 C TRP A 127 14.434 -5.492 7.320 1.00 0.00 C ATOM 1948 O TRP A 127 13.767 -6.527 7.253 1.00 0.00 O ATOM 1949 CB TRP A 127 16.581 -4.466 6.280 1.00 0.00 C ATOM 1950 CG TRP A 127 16.188 -4.444 4.841 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.554 -5.352 3.909 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.380 -3.453 4.144 1.00 0.00 C ATOM 1953 NE1 TRP A 127 16.011 -5.003 2.693 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.241 -3.866 2.788 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.727 -2.263 4.527 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.458 -3.161 1.870 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 13.986 -1.512 3.598 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.840 -1.967 2.276 1.00 0.00 C ATOM 0 H TRP A 127 15.932 -7.164 5.810 1.00 0.00 H new ATOM 0 HA TRP A 127 16.344 -5.377 8.160 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.327 -3.499 6.715 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.665 -4.565 6.333 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.176 -6.216 4.090 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.161 -5.523 1.828 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.797 -1.923 5.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.330 -3.529 0.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.527 -0.582 3.901 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.252 -1.398 1.572 1.00 0.00 H new ATOM 1969 N ALA A 128 13.871 -4.305 7.577 1.00 0.00 N ATOM 1970 CA ALA A 128 12.428 -4.105 7.718 1.00 0.00 C ATOM 1971 C ALA A 128 12.041 -2.691 7.261 1.00 0.00 C ATOM 1972 O ALA A 128 12.343 -1.740 7.985 1.00 0.00 O ATOM 1973 CB ALA A 128 12.005 -4.331 9.174 1.00 0.00 C ATOM 0 H ALA A 128 14.413 -3.449 7.694 1.00 0.00 H new ATOM 0 HA ALA A 128 11.909 -4.827 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.930 -4.180 9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.256 -5.349 9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.528 -3.625 9.819 1.00 0.00 H new ATOM 1979 N PRO A 129 11.394 -2.516 6.095 1.00 0.00 N ATOM 1980 CA PRO A 129 10.968 -1.207 5.620 1.00 0.00 C ATOM 1981 C PRO A 129 9.887 -0.630 6.531 1.00 0.00 C ATOM 1982 O PRO A 129 9.162 -1.370 7.207 1.00 0.00 O ATOM 1983 CB PRO A 129 10.397 -1.414 4.213 1.00 0.00 C ATOM 1984 CG PRO A 129 10.716 -2.866 3.863 1.00 0.00 C ATOM 1985 CD PRO A 129 10.958 -3.554 5.184 1.00 0.00 C ATOM 0 HA PRO A 129 11.806 -0.510 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.323 -1.231 4.193 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.851 -0.727 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.890 -3.330 3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.594 -2.931 3.220 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.050 -4.036 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.715 -4.332 5.087 1.00 0.00 H new ATOM 1993 N SER A 130 9.725 0.687 6.486 1.00 0.00 N ATOM 1994 CA SER A 130 8.608 1.387 7.103 1.00 0.00 C ATOM 1995 C SER A 130 7.341 1.008 6.335 1.00 0.00 C ATOM 1996 O SER A 130 7.426 0.623 5.166 1.00 0.00 O ATOM 1997 CB SER A 130 8.892 2.903 7.072 1.00 0.00 C ATOM 1998 OG SER A 130 10.288 3.108 7.198 1.00 0.00 O ATOM 0 H SER A 130 10.379 1.309 6.011 1.00 0.00 H new ATOM 0 HA SER A 130 8.472 1.107 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.529 3.336 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.362 3.403 7.883 1.00 0.00 H new ATOM 0 HG SER A 130 10.481 4.069 7.178 1.00 0.00 H new ATOM 2004 N MET A 131 6.164 1.142 6.946 1.00 0.00 N ATOM 2005 CA MET A 131 4.924 0.913 6.208 1.00 0.00 C ATOM 2006 C MET A 131 4.782 1.943 5.103 1.00 0.00 C ATOM 2007 O MET A 131 4.365 1.592 4.006 1.00 0.00 O ATOM 2008 CB MET A 131 3.693 0.963 7.122 1.00 0.00 C ATOM 2009 CG MET A 131 3.309 -0.420 7.622 1.00 0.00 C ATOM 2010 SD MET A 131 1.550 -0.819 7.590 1.00 0.00 S ATOM 2011 CE MET A 131 1.695 -2.589 7.229 1.00 0.00 C ATOM 0 H MET A 131 6.044 1.401 7.925 1.00 0.00 H new ATOM 0 HA MET A 131 4.979 -0.087 5.779 1.00 0.00 H new ATOM 0 HB2 MET A 131 3.897 1.614 7.972 1.00 0.00 H new ATOM 0 HB3 MET A 131 2.854 1.400 6.580 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.839 -1.160 7.023 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.665 -0.525 8.647 1.00 0.00 H new ATOM 0 HE1 MET A 131 0.764 -2.948 6.789 1.00 0.00 H new ATOM 0 HE2 MET A 131 2.514 -2.752 6.528 1.00 0.00 H new ATOM 0 HE3 MET A 131 1.894 -3.133 8.152 1.00 0.00 H new ATOM 2021 N ASP A 132 5.171 3.191 5.359 1.00 0.00 N ATOM 2022 CA ASP A 132 5.160 4.214 4.325 1.00 0.00 C ATOM 2023 C ASP A 132 5.964 3.758 3.112 1.00 0.00 C ATOM 2024 O ASP A 132 5.469 3.890 2.002 1.00 0.00 O ATOM 2025 CB ASP A 132 5.719 5.532 4.840 1.00 0.00 C ATOM 2026 CG ASP A 132 4.719 6.317 5.674 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.423 5.916 6.823 1.00 0.00 O ATOM 2028 OD2 ASP A 132 4.309 7.393 5.202 1.00 0.00 O ATOM 0 H ASP A 132 5.496 3.513 6.271 1.00 0.00 H new ATOM 0 HA ASP A 132 4.122 4.371 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.607 5.334 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 132 6.035 6.141 3.994 1.00 0.00 H new ATOM 2033 N VAL A 133 7.165 3.197 3.307 1.00 0.00 N ATOM 2034 CA VAL A 133 7.939 2.616 2.215 1.00 0.00 C ATOM 2035 C VAL A 133 7.185 1.421 1.642 1.00 0.00 C ATOM 2036 O VAL A 133 6.672 1.530 0.540 1.00 0.00 O ATOM 2037 CB VAL A 133 9.369 2.238 2.651 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.126 1.554 1.508 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.145 3.484 3.088 1.00 0.00 C ATOM 0 H VAL A 133 7.619 3.136 4.218 1.00 0.00 H new ATOM 0 HA VAL A 133 8.055 3.368 1.434 1.00 0.00 H new ATOM 0 HB VAL A 133 9.286 1.547 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.132 1.297 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.598 0.647 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.187 2.231 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.152 3.198 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.203 4.187 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.633 3.956 3.927 1.00 0.00 H new ATOM 2049 N ALA A 134 7.112 0.297 2.366 1.00 0.00 N ATOM 2050 CA ALA A 134 6.684 -0.972 1.790 1.00 0.00 C ATOM 2051 C ALA A 134 5.310 -0.830 1.155 1.00 0.00 C ATOM 2052 O ALA A 134 5.119 -1.247 0.021 1.00 0.00 O ATOM 2053 CB ALA A 134 6.672 -2.079 2.848 1.00 0.00 C ATOM 0 H ALA A 134 7.347 0.247 3.357 1.00 0.00 H new ATOM 0 HA ALA A 134 7.399 -1.251 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.349 -3.015 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.675 -2.202 3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.984 -1.809 3.649 1.00 0.00 H new ATOM 2059 N VAL A 135 4.344 -0.232 1.853 1.00 0.00 N ATOM 2060 CA VAL A 135 3.041 -0.029 1.252 1.00 0.00 C ATOM 2061 C VAL A 135 3.158 0.976 0.097 1.00 0.00 C ATOM 2062 O VAL A 135 2.636 0.679 -0.968 1.00 0.00 O ATOM 2063 CB VAL A 135 1.954 0.303 2.293 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.583 0.056 1.644 1.00 0.00 C ATOM 2065 CG2 VAL A 135 2.037 -0.589 3.555 1.00 0.00 C ATOM 0 H VAL A 135 4.441 0.110 2.809 1.00 0.00 H new ATOM 0 HA VAL A 135 2.694 -0.967 0.818 1.00 0.00 H new ATOM 0 HB VAL A 135 2.099 1.339 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.205 0.284 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.474 0.697 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.507 -0.988 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.247 -0.309 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.916 -1.634 3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 135 3.007 -0.453 4.033 1.00 0.00 H new ATOM 2075 N GLY A 136 3.855 2.104 0.261 1.00 0.00 N ATOM 2076 CA GLY A 136 4.094 3.085 -0.794 1.00 0.00 C ATOM 2077 C GLY A 136 4.584 2.451 -2.099 1.00 0.00 C ATOM 2078 O GLY A 136 4.111 2.828 -3.168 1.00 0.00 O ATOM 0 H GLY A 136 4.277 2.364 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.173 3.635 -0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.832 3.810 -0.449 1.00 0.00 H new ATOM 2082 N GLU A 137 5.493 1.481 -2.017 1.00 0.00 N ATOM 2083 CA GLU A 137 6.146 0.873 -3.169 1.00 0.00 C ATOM 2084 C GLU A 137 5.193 -0.079 -3.882 1.00 0.00 C ATOM 2085 O GLU A 137 4.952 0.095 -5.069 1.00 0.00 O ATOM 2086 CB GLU A 137 7.429 0.152 -2.747 1.00 0.00 C ATOM 2087 CG GLU A 137 8.486 1.101 -2.166 1.00 0.00 C ATOM 2088 CD GLU A 137 9.896 0.775 -2.640 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.539 -0.042 -1.954 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.399 1.440 -3.571 1.00 0.00 O ATOM 0 H GLU A 137 5.801 1.089 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 137 6.421 1.664 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.185 -0.609 -2.006 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.849 -0.366 -3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.241 2.126 -2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.453 1.052 -1.078 1.00 0.00 H new ATOM 2097 N ILE A 138 4.574 -1.030 -3.171 1.00 0.00 N ATOM 2098 CA ILE A 138 3.644 -1.954 -3.830 1.00 0.00 C ATOM 2099 C ILE A 138 2.464 -1.187 -4.433 1.00 0.00 C ATOM 2100 O ILE A 138 1.892 -1.611 -5.428 1.00 0.00 O ATOM 2101 CB ILE A 138 3.206 -3.100 -2.886 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.317 -4.151 -3.587 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.483 -2.570 -1.643 1.00 0.00 C ATOM 2104 CD1 ILE A 138 2.131 -5.494 -2.854 1.00 0.00 C ATOM 0 H ILE A 138 4.695 -1.178 -2.169 1.00 0.00 H new ATOM 0 HA ILE A 138 4.165 -2.439 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 138 4.130 -3.591 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.333 -3.712 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.741 -4.355 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.192 -3.406 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 138 3.149 -1.907 -1.090 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.593 -2.019 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.488 -6.146 -3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 138 3.102 -5.970 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.672 -5.317 -1.881 1.00 0.00 H new ATOM 2116 N LEU A 139 2.080 -0.051 -3.848 1.00 0.00 N ATOM 2117 CA LEU A 139 1.096 0.840 -4.440 1.00 0.00 C ATOM 2118 C LEU A 139 1.623 1.510 -5.700 1.00 0.00 C ATOM 2119 O LEU A 139 0.883 1.687 -6.650 1.00 0.00 O ATOM 2120 CB LEU A 139 0.714 1.920 -3.437 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.108 1.455 -2.220 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.402 2.645 -1.298 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.401 0.694 -2.506 1.00 0.00 C ATOM 0 H LEU A 139 2.445 0.272 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 139 0.228 0.237 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.628 2.390 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 139 0.146 2.689 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 139 0.535 0.717 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -0.984 2.306 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.537 3.078 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -0.968 3.398 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.881 0.426 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.073 1.324 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.173 -0.212 -3.068 1.00 0.00 H new ATOM 2135 N ALA A 140 2.878 1.916 -5.726 1.00 0.00 N ATOM 2136 CA ALA A 140 3.491 2.405 -6.955 1.00 0.00 C ATOM 2137 C ALA A 140 3.434 1.391 -8.113 1.00 0.00 C ATOM 2138 O ALA A 140 3.725 1.782 -9.244 1.00 0.00 O ATOM 2139 CB ALA A 140 4.922 2.883 -6.701 1.00 0.00 C ATOM 0 H ALA A 140 3.495 1.919 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 140 2.893 3.258 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.356 3.243 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.911 3.692 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.519 2.056 -6.318 1.00 0.00 H new ATOM 2145 N GLU A 141 3.086 0.125 -7.867 1.00 0.00 N ATOM 2146 CA GLU A 141 3.250 -0.973 -8.806 1.00 0.00 C ATOM 2147 C GLU A 141 1.947 -1.735 -9.097 1.00 0.00 C ATOM 2148 O GLU A 141 1.639 -2.005 -10.258 1.00 0.00 O ATOM 2149 CB GLU A 141 4.324 -1.893 -8.206 1.00 0.00 C ATOM 2150 CG GLU A 141 5.727 -1.270 -8.302 1.00 0.00 C ATOM 2151 CD GLU A 141 6.846 -2.057 -7.635 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.899 -2.203 -6.389 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.744 -2.391 -8.434 1.00 0.00 O ATOM 0 H GLU A 141 2.671 -0.166 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 141 3.550 -0.583 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.087 -2.096 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.315 -2.851 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.976 -1.142 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.694 -0.275 -7.859 1.00 0.00 H new ATOM 2160 N VAL A 142 1.182 -2.137 -8.086 1.00 0.00 N ATOM 2161 CA VAL A 142 0.013 -2.998 -8.254 1.00 0.00 C ATOM 2162 C VAL A 142 -1.101 -2.235 -9.001 1.00 0.00 C ATOM 2163 O VAL A 142 -1.943 -2.871 -9.673 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.367 -3.580 -6.878 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.771 -4.179 -6.853 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.632 -4.692 -6.516 1.00 0.00 C ATOM 0 H VAL A 142 1.357 -1.872 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 142 0.218 -3.858 -8.892 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.341 -2.757 -6.163 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.981 -4.572 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.500 -3.407 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.836 -4.986 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.373 -5.111 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.593 -5.476 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.639 -4.277 -6.476 1.00 0.00 H new