USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= -1.55 (180deg=-3.56!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.109 USER MOD Single : A 23 THR OG1 : rot -76:sc= -2.82 USER MOD Single : A 27 ASN : amide:sc= -2.94 X(o=-2.9,f=-3.3!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-3.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0368 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.6! C(o=-3.6!,f=-2.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.064 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-5.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.4!) USER MOD Single : A 77 THR OG1 : rot 2:sc= -3.82! USER MOD Single : A 80 ASN : amide:sc= -1.56 X(o=-1.6,f=-2) USER MOD Single : A 81 THR OG1 : rot -92:sc= 0.227 USER MOD Single : A 83 GLN : amide:sc= -0.415 K(o=-0.42,f=-2.7!) USER MOD Single : A 86 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.29) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= -0.0176 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.682 -2.060 -5.486 1.00 15.00 N ATOM 73 CA ILE A 6 -10.232 -2.027 -5.518 1.00 15.00 C ATOM 74 C ILE A 6 -9.729 -0.788 -6.255 1.00 15.00 C ATOM 75 O ILE A 6 -10.357 -0.321 -7.206 1.00 15.00 O ATOM 76 CB ILE A 6 -9.687 -3.300 -6.202 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.154 -4.279 -5.155 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.602 -2.965 -7.222 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.241 -4.933 -4.331 1.00 15.00 C ATOM 0 HA ILE A 6 -9.871 -1.987 -4.490 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.511 -3.771 -6.738 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.573 -5.054 -5.656 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.472 -3.750 -4.489 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.241 -3.884 -7.684 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -9.014 -2.310 -7.990 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.775 -2.461 -6.721 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.790 -5.614 -3.609 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.807 -4.167 -3.802 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.910 -5.490 -4.987 1.00 15.00 H new ATOM 91 N PHE A 7 -8.585 -0.273 -5.822 1.00 15.00 N ATOM 92 CA PHE A 7 -7.991 0.896 -6.454 1.00 15.00 C ATOM 93 C PHE A 7 -6.475 0.748 -6.538 1.00 15.00 C ATOM 94 O PHE A 7 -5.877 -0.017 -5.785 1.00 15.00 O ATOM 95 CB PHE A 7 -8.369 2.174 -5.693 1.00 15.00 C ATOM 96 CG PHE A 7 -7.528 2.437 -4.474 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.252 2.964 -4.597 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.015 2.160 -3.207 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.478 3.209 -3.481 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.245 2.403 -2.085 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.974 2.928 -2.223 1.00 15.00 C ATOM 0 H PHE A 7 -8.051 -0.646 -5.037 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.384 0.974 -7.468 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.285 3.025 -6.369 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.415 2.109 -5.392 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.859 3.186 -5.578 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.008 1.750 -3.095 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.485 3.620 -3.591 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.636 2.183 -1.103 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.370 3.118 -1.348 1.00 15.00 H new ATOM 111 N GLU A 8 -5.861 1.478 -7.462 1.00 15.00 N ATOM 112 CA GLU A 8 -4.415 1.417 -7.647 1.00 15.00 C ATOM 113 C GLU A 8 -3.783 2.800 -7.542 1.00 15.00 C ATOM 114 O GLU A 8 -4.335 3.792 -8.019 1.00 15.00 O ATOM 115 CB GLU A 8 -4.086 0.809 -9.006 1.00 15.00 C ATOM 116 CG GLU A 8 -4.805 1.486 -10.154 1.00 15.00 C ATOM 117 CD GLU A 8 -4.719 0.698 -11.446 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.828 -0.545 -11.392 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.545 1.324 -12.513 1.00 15.00 O ATOM 0 H GLU A 8 -6.341 2.119 -8.094 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.004 0.790 -6.855 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -3.011 0.870 -9.173 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.347 -0.249 -8.996 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.853 1.627 -9.888 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.380 2.478 -10.309 1.00 15.00 H new ATOM 126 N VAL A 9 -2.611 2.843 -6.929 1.00 15.00 N ATOM 127 CA VAL A 9 -1.861 4.084 -6.763 1.00 15.00 C ATOM 128 C VAL A 9 -0.741 4.150 -7.791 1.00 15.00 C ATOM 129 O VAL A 9 0.147 3.299 -7.808 1.00 15.00 O ATOM 130 CB VAL A 9 -1.280 4.226 -5.327 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.312 2.894 -4.590 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.141 4.780 -5.352 1.00 15.00 C ATOM 0 H VAL A 9 -2.151 2.023 -6.533 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.551 4.913 -6.918 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.911 4.935 -4.791 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.900 3.022 -3.589 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.341 2.543 -4.517 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.717 2.162 -5.136 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.516 4.866 -4.332 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.784 4.107 -5.919 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.140 5.763 -5.822 1.00 15.00 H new ATOM 142 N GLU A 10 -0.798 5.150 -8.657 1.00 15.00 N ATOM 143 CA GLU A 10 0.205 5.305 -9.698 1.00 15.00 C ATOM 144 C GLU A 10 1.164 6.455 -9.405 1.00 15.00 C ATOM 145 O GLU A 10 1.086 7.515 -10.025 1.00 15.00 O ATOM 146 CB GLU A 10 -0.481 5.518 -11.040 1.00 15.00 C ATOM 147 CG GLU A 10 0.483 5.683 -12.203 1.00 15.00 C ATOM 148 CD GLU A 10 -0.169 6.316 -13.416 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.832 7.362 -13.255 1.00 15.00 O ATOM 150 OE2 GLU A 10 -0.019 5.765 -14.527 1.00 15.00 O ATOM 0 H GLU A 10 -1.526 5.864 -8.660 1.00 15.00 H new ATOM 0 HA GLU A 10 0.799 4.392 -9.729 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.136 4.670 -11.241 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.115 6.403 -10.977 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.326 6.297 -11.887 1.00 15.00 H new ATOM 0 HG3 GLU A 10 0.884 4.708 -12.478 1.00 15.00 H new ATOM 157 N LEU A 11 2.084 6.229 -8.474 1.00 15.00 N ATOM 158 CA LEU A 11 3.076 7.238 -8.122 1.00 15.00 C ATOM 159 C LEU A 11 4.294 7.095 -9.026 1.00 15.00 C ATOM 160 O LEU A 11 4.497 6.049 -9.634 1.00 15.00 O ATOM 161 CB LEU A 11 3.490 7.107 -6.654 1.00 15.00 C ATOM 162 CG LEU A 11 3.989 8.397 -5.995 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.875 9.430 -5.910 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.550 8.104 -4.610 1.00 15.00 C ATOM 0 H LEU A 11 2.164 5.357 -7.950 1.00 15.00 H new ATOM 0 HA LEU A 11 2.635 8.225 -8.263 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.638 6.735 -6.085 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.275 6.354 -6.581 1.00 15.00 H new ATOM 0 HG LEU A 11 4.786 8.808 -6.614 1.00 15.00 H new ATOM 0 HD11 LEU A 11 3.255 10.336 -5.438 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.519 9.665 -6.913 1.00 15.00 H new ATOM 0 HD13 LEU A 11 2.052 9.030 -5.317 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.900 9.031 -4.156 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.770 7.666 -3.987 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.382 7.405 -4.695 1.00 15.00 H new ATOM 176 N ALA A 12 5.092 8.146 -9.128 1.00 15.00 N ATOM 177 CA ALA A 12 6.277 8.111 -9.980 1.00 15.00 C ATOM 178 C ALA A 12 7.541 7.783 -9.190 1.00 15.00 C ATOM 179 O ALA A 12 8.182 8.674 -8.634 1.00 15.00 O ATOM 180 CB ALA A 12 6.439 9.432 -10.715 1.00 15.00 C ATOM 0 H ALA A 12 4.946 9.028 -8.637 1.00 15.00 H new ATOM 0 HA ALA A 12 6.132 7.312 -10.708 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.327 9.391 -11.346 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.561 9.613 -11.335 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.546 10.240 -9.991 1.00 15.00 H new ATOM 186 N LYS A 13 7.901 6.503 -9.157 1.00 15.00 N ATOM 187 CA LYS A 13 9.101 6.050 -8.448 1.00 15.00 C ATOM 188 C LYS A 13 10.392 6.585 -9.081 1.00 15.00 C ATOM 189 O LYS A 13 11.435 5.935 -9.010 1.00 15.00 O ATOM 190 CB LYS A 13 9.151 4.523 -8.424 1.00 15.00 C ATOM 191 CG LYS A 13 10.300 3.944 -7.603 1.00 15.00 C ATOM 192 CD LYS A 13 10.651 4.815 -6.403 1.00 15.00 C ATOM 193 CE LYS A 13 9.605 4.703 -5.305 1.00 15.00 C ATOM 194 NZ LYS A 13 8.801 5.949 -5.170 1.00 15.00 N ATOM 0 H LYS A 13 7.378 5.756 -9.614 1.00 15.00 H new ATOM 0 HA LYS A 13 9.037 6.443 -7.433 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.209 4.147 -8.025 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.232 4.158 -9.448 1.00 15.00 H new ATOM 0 HG2 LYS A 13 10.030 2.946 -7.258 1.00 15.00 H new ATOM 0 HG3 LYS A 13 11.179 3.834 -8.239 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.624 4.520 -6.011 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.737 5.854 -6.720 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.942 3.865 -5.521 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.097 4.485 -4.357 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 8.593 6.121 -4.166 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 9.338 6.752 -5.554 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 7.910 5.846 -5.696 1.00 15.00 H new ATOM 259 N LEU A 18 9.115 6.484 -1.623 1.00 15.00 N ATOM 260 CA LEU A 18 7.836 6.617 -0.951 1.00 15.00 C ATOM 261 C LEU A 18 7.958 7.528 0.266 1.00 15.00 C ATOM 262 O LEU A 18 8.978 8.188 0.467 1.00 15.00 O ATOM 263 CB LEU A 18 7.290 5.245 -0.534 1.00 15.00 C ATOM 264 CG LEU A 18 7.066 4.257 -1.680 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.248 4.901 -2.789 1.00 15.00 C ATOM 266 CD2 LEU A 18 8.396 3.754 -2.218 1.00 15.00 C ATOM 0 HA LEU A 18 7.135 7.067 -1.654 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.982 4.798 0.180 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.344 5.392 -0.012 1.00 15.00 H new ATOM 0 HG LEU A 18 6.508 3.404 -1.295 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.099 4.183 -3.595 1.00 15.00 H new ATOM 0 HD12 LEU A 18 5.280 5.210 -2.395 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.778 5.773 -3.173 1.00 15.00 H new ATOM 0 HD21 LEU A 18 8.217 3.052 -3.033 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.981 4.596 -2.587 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.945 3.252 -1.421 1.00 15.00 H new ATOM 278 N GLY A 19 6.906 7.554 1.067 1.00 15.00 N ATOM 279 CA GLY A 19 6.877 8.377 2.258 1.00 15.00 C ATOM 280 C GLY A 19 5.784 7.929 3.192 1.00 15.00 C ATOM 281 O GLY A 19 5.159 8.738 3.863 1.00 15.00 O ATOM 0 H GLY A 19 6.057 7.010 0.910 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.840 8.323 2.766 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.720 9.420 1.981 1.00 15.00 H new ATOM 285 N ILE A 20 5.533 6.629 3.201 1.00 15.00 N ATOM 286 CA ILE A 20 4.495 6.057 4.038 1.00 15.00 C ATOM 287 C ILE A 20 5.064 5.150 5.125 1.00 15.00 C ATOM 288 O ILE A 20 6.004 4.391 4.888 1.00 15.00 O ATOM 289 CB ILE A 20 3.482 5.268 3.185 1.00 15.00 C ATOM 290 CG1 ILE A 20 2.073 5.796 3.436 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.560 3.777 3.479 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.986 4.781 3.196 1.00 15.00 C ATOM 0 H ILE A 20 6.038 5.948 2.634 1.00 15.00 H new ATOM 0 HA ILE A 20 3.990 6.890 4.527 1.00 15.00 H new ATOM 0 HB ILE A 20 3.731 5.409 2.133 1.00 15.00 H new ATOM 0 HG12 ILE A 20 2.006 6.148 4.465 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.899 6.658 2.792 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.834 3.246 2.863 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.563 3.414 3.253 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.339 3.602 4.532 1.00 15.00 H new ATOM 0 HD11 ILE A 20 0.015 5.234 3.396 1.00 15.00 H new ATOM 0 HD12 ILE A 20 1.024 4.446 2.159 1.00 15.00 H new ATOM 0 HD13 ILE A 20 1.132 3.928 3.859 1.00 15.00 H new ATOM 304 N SER A 21 4.444 5.189 6.296 1.00 15.00 N ATOM 305 CA SER A 21 4.838 4.324 7.395 1.00 15.00 C ATOM 306 C SER A 21 3.920 3.108 7.381 1.00 15.00 C ATOM 307 O SER A 21 2.752 3.203 7.755 1.00 15.00 O ATOM 308 CB SER A 21 4.746 5.061 8.735 1.00 15.00 C ATOM 309 OG SER A 21 4.515 4.158 9.803 1.00 15.00 O ATOM 0 H SER A 21 3.665 5.812 6.508 1.00 15.00 H new ATOM 0 HA SER A 21 5.876 4.015 7.274 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.670 5.611 8.914 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.941 5.794 8.695 1.00 15.00 H new ATOM 0 HG SER A 21 4.462 4.655 10.646 1.00 15.00 H new ATOM 315 N VAL A 22 4.430 1.981 6.899 1.00 15.00 N ATOM 316 CA VAL A 22 3.615 0.777 6.790 1.00 15.00 C ATOM 317 C VAL A 22 3.741 -0.126 8.006 1.00 15.00 C ATOM 318 O VAL A 22 4.775 -0.162 8.673 1.00 15.00 O ATOM 319 CB VAL A 22 3.976 -0.027 5.526 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.776 0.817 4.278 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.407 -0.534 5.604 1.00 15.00 C ATOM 0 H VAL A 22 5.393 1.875 6.581 1.00 15.00 H new ATOM 0 HA VAL A 22 2.582 1.119 6.726 1.00 15.00 H new ATOM 0 HB VAL A 22 3.310 -0.888 5.468 1.00 15.00 H new ATOM 0 HG11 VAL A 22 4.036 0.231 3.397 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.733 1.128 4.212 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.415 1.699 4.329 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.642 -1.099 4.702 1.00 15.00 H new ATOM 0 HG22 VAL A 22 6.089 0.312 5.690 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.517 -1.179 6.476 1.00 15.00 H new ATOM 331 N THR A 23 2.660 -0.846 8.290 1.00 15.00 N ATOM 332 CA THR A 23 2.612 -1.750 9.428 1.00 15.00 C ATOM 333 C THR A 23 1.687 -2.936 9.146 1.00 15.00 C ATOM 334 O THR A 23 1.119 -3.050 8.056 1.00 15.00 O ATOM 335 CB THR A 23 2.140 -0.983 10.664 1.00 15.00 C ATOM 336 OG1 THR A 23 2.254 0.412 10.455 1.00 15.00 O ATOM 337 CG2 THR A 23 2.919 -1.319 11.911 1.00 15.00 C ATOM 0 H THR A 23 1.801 -0.818 7.741 1.00 15.00 H new ATOM 0 HA THR A 23 3.612 -2.145 9.608 1.00 15.00 H new ATOM 0 HB THR A 23 1.102 -1.282 10.812 1.00 15.00 H new ATOM 0 HG1 THR A 23 3.194 0.679 10.533 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.532 -0.740 12.749 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.818 -2.382 12.128 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.971 -1.078 11.759 1.00 15.00 H new ATOM 345 N GLY A 24 1.540 -3.817 10.134 1.00 15.00 N ATOM 346 CA GLY A 24 0.684 -4.982 9.972 1.00 15.00 C ATOM 347 C GLY A 24 1.259 -5.985 8.991 1.00 15.00 C ATOM 348 O GLY A 24 2.339 -6.528 9.215 1.00 15.00 O ATOM 0 H GLY A 24 1.998 -3.745 11.043 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.542 -5.463 10.940 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.300 -4.663 9.628 1.00 15.00 H new ATOM 352 N GLY A 25 0.540 -6.223 7.898 1.00 15.00 N ATOM 353 CA GLY A 25 1.006 -7.156 6.887 1.00 15.00 C ATOM 354 C GLY A 25 1.042 -8.598 7.359 1.00 15.00 C ATOM 355 O GLY A 25 0.327 -9.445 6.824 1.00 15.00 O ATOM 0 H GLY A 25 -0.359 -5.786 7.694 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.358 -7.085 6.013 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.006 -6.862 6.567 1.00 15.00 H new ATOM 359 N VAL A 26 1.891 -8.875 8.348 1.00 15.00 N ATOM 360 CA VAL A 26 2.052 -10.226 8.902 1.00 15.00 C ATOM 361 C VAL A 26 0.777 -11.058 8.790 1.00 15.00 C ATOM 362 O VAL A 26 -0.324 -10.568 9.037 1.00 15.00 O ATOM 363 CB VAL A 26 2.491 -10.181 10.380 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.002 -10.313 10.493 1.00 15.00 C ATOM 365 CG2 VAL A 26 2.012 -8.898 11.040 1.00 15.00 C ATOM 0 H VAL A 26 2.487 -8.174 8.789 1.00 15.00 H new ATOM 0 HA VAL A 26 2.829 -10.702 8.304 1.00 15.00 H new ATOM 0 HB VAL A 26 2.035 -11.023 10.900 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.293 -10.279 11.543 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.318 -11.262 10.060 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.480 -9.493 9.958 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.331 -8.884 12.082 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.437 -8.040 10.519 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.924 -8.849 10.993 1.00 15.00 H new ATOM 375 N ASN A 27 0.942 -12.322 8.410 1.00 15.00 N ATOM 376 CA ASN A 27 -0.184 -13.234 8.254 1.00 15.00 C ATOM 377 C ASN A 27 -0.705 -13.698 9.612 1.00 15.00 C ATOM 378 O ASN A 27 -0.688 -14.890 9.920 1.00 15.00 O ATOM 379 CB ASN A 27 0.236 -14.445 7.417 1.00 15.00 C ATOM 380 CG ASN A 27 0.941 -14.046 6.135 1.00 15.00 C ATOM 381 OD1 ASN A 27 0.310 -13.884 5.090 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.257 -13.886 6.209 1.00 15.00 N ATOM 0 H ASN A 27 1.850 -12.738 8.204 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.986 -12.701 7.743 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.895 -15.081 8.008 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.645 -15.038 7.174 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.786 -13.618 5.379 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.739 -14.031 7.096 1.00 15.00 H new ATOM 389 N THR A 28 -1.167 -12.751 10.421 1.00 15.00 N ATOM 390 CA THR A 28 -1.692 -13.068 11.744 1.00 15.00 C ATOM 391 C THR A 28 -2.740 -12.048 12.177 1.00 15.00 C ATOM 392 O THR A 28 -3.859 -12.409 12.542 1.00 15.00 O ATOM 393 CB THR A 28 -0.556 -13.116 12.768 1.00 15.00 C ATOM 394 OG1 THR A 28 0.692 -13.297 12.124 1.00 15.00 O ATOM 395 CG2 THR A 28 -0.713 -14.226 13.785 1.00 15.00 C ATOM 0 H THR A 28 -1.189 -11.759 10.184 1.00 15.00 H new ATOM 0 HA THR A 28 -2.168 -14.047 11.691 1.00 15.00 H new ATOM 0 HB THR A 28 -0.597 -12.160 13.289 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.406 -13.324 12.795 1.00 15.00 H new ATOM 0 HG21 THR A 28 0.126 -14.203 14.481 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.644 -14.087 14.334 1.00 15.00 H new ATOM 0 HG23 THR A 28 -0.734 -15.188 13.273 1.00 15.00 H new ATOM 403 N SER A 29 -2.368 -10.773 12.137 1.00 15.00 N ATOM 404 CA SER A 29 -3.274 -9.699 12.529 1.00 15.00 C ATOM 405 C SER A 29 -4.222 -9.335 11.389 1.00 15.00 C ATOM 406 O SER A 29 -5.425 -9.179 11.596 1.00 15.00 O ATOM 407 CB SER A 29 -2.478 -8.464 12.957 1.00 15.00 C ATOM 408 OG SER A 29 -2.216 -8.484 14.349 1.00 15.00 O ATOM 0 H SER A 29 -1.445 -10.458 11.837 1.00 15.00 H new ATOM 0 HA SER A 29 -3.869 -10.053 13.371 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.538 -8.425 12.407 1.00 15.00 H new ATOM 0 HB3 SER A 29 -3.034 -7.562 12.701 1.00 15.00 H new ATOM 0 HG SER A 29 -1.705 -7.686 14.597 1.00 15.00 H new ATOM 414 N VAL A 30 -3.671 -9.200 10.188 1.00 15.00 N ATOM 415 CA VAL A 30 -4.467 -8.851 9.017 1.00 15.00 C ATOM 416 C VAL A 30 -5.342 -10.020 8.574 1.00 15.00 C ATOM 417 O VAL A 30 -5.388 -11.058 9.234 1.00 15.00 O ATOM 418 CB VAL A 30 -3.574 -8.415 7.840 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.772 -7.176 8.208 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.653 -9.549 7.417 1.00 15.00 C ATOM 0 H VAL A 30 -2.677 -9.327 10.000 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.105 -8.016 9.307 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.216 -8.166 6.995 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.147 -6.883 7.364 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.453 -6.362 8.455 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.140 -7.394 9.069 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.031 -9.221 6.585 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.017 -9.833 8.255 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.250 -10.407 7.107 1.00 15.00 H new ATOM 430 N ARG A 31 -6.037 -9.842 7.454 1.00 15.00 N ATOM 431 CA ARG A 31 -6.913 -10.880 6.921 1.00 15.00 C ATOM 432 C ARG A 31 -6.167 -12.202 6.758 1.00 15.00 C ATOM 433 O ARG A 31 -6.533 -13.210 7.363 1.00 15.00 O ATOM 434 CB ARG A 31 -7.500 -10.440 5.578 1.00 15.00 C ATOM 435 CG ARG A 31 -9.020 -10.412 5.558 1.00 15.00 C ATOM 436 CD ARG A 31 -9.576 -11.071 4.305 1.00 15.00 C ATOM 437 NE ARG A 31 -10.753 -11.886 4.593 1.00 15.00 N ATOM 438 CZ ARG A 31 -10.730 -12.977 5.355 1.00 15.00 C ATOM 439 NH1 ARG A 31 -9.593 -13.388 5.902 1.00 15.00 N ATOM 440 NH2 ARG A 31 -11.847 -13.659 5.570 1.00 15.00 N ATOM 0 H ARG A 31 -6.010 -8.988 6.898 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.724 -11.033 7.633 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.123 -9.447 5.334 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.147 -11.115 4.798 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.405 -10.923 6.440 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.366 -9.380 5.611 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -9.836 -10.303 3.576 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.806 -11.694 3.851 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.645 -11.603 4.187 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -8.731 -12.867 5.739 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -9.581 -14.225 6.485 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.723 -13.347 5.151 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -11.830 -14.495 6.154 1.00 15.00 H new ATOM 454 N HIS A 32 -5.123 -12.193 5.935 1.00 15.00 N ATOM 455 CA HIS A 32 -4.333 -13.396 5.695 1.00 15.00 C ATOM 456 C HIS A 32 -2.865 -13.055 5.459 1.00 15.00 C ATOM 457 O HIS A 32 -1.975 -13.682 6.030 1.00 15.00 O ATOM 458 CB HIS A 32 -4.888 -14.167 4.494 1.00 15.00 C ATOM 459 CG HIS A 32 -5.326 -13.286 3.364 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.634 -12.888 3.184 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.622 -12.726 2.353 1.00 15.00 C ATOM 462 CE1 HIS A 32 -6.715 -12.122 2.111 1.00 15.00 C ATOM 463 NE2 HIS A 32 -5.508 -12.007 1.589 1.00 15.00 N ATOM 0 H HIS A 32 -4.805 -11.369 5.425 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.400 -14.022 6.585 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.125 -14.856 4.131 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.734 -14.772 4.821 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -7.417 -13.145 3.785 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -3.561 -12.826 2.179 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -7.616 -11.667 1.726 1.00 15.00 H new ATOM 472 N GLY A 33 -2.617 -12.062 4.611 1.00 15.00 N ATOM 473 CA GLY A 33 -1.252 -11.663 4.313 1.00 15.00 C ATOM 474 C GLY A 33 -1.179 -10.361 3.539 1.00 15.00 C ATOM 475 O GLY A 33 -0.208 -10.108 2.827 1.00 15.00 O ATOM 0 H GLY A 33 -3.336 -11.526 4.125 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.697 -11.559 5.245 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.765 -12.451 3.738 1.00 15.00 H new ATOM 479 N GLY A 34 -2.200 -9.523 3.692 1.00 15.00 N ATOM 480 CA GLY A 34 -2.213 -8.242 3.015 1.00 15.00 C ATOM 481 C GLY A 34 -1.662 -7.160 3.913 1.00 15.00 C ATOM 482 O GLY A 34 -1.724 -7.286 5.136 1.00 15.00 O ATOM 0 H GLY A 34 -3.017 -9.710 4.273 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.620 -8.301 2.102 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.232 -7.992 2.718 1.00 15.00 H new ATOM 486 N ILE A 35 -1.107 -6.100 3.335 1.00 15.00 N ATOM 487 CA ILE A 35 -0.547 -5.038 4.157 1.00 15.00 C ATOM 488 C ILE A 35 -1.542 -3.919 4.398 1.00 15.00 C ATOM 489 O ILE A 35 -2.431 -3.663 3.586 1.00 15.00 O ATOM 490 CB ILE A 35 0.753 -4.452 3.560 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.823 -4.339 4.657 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.501 -3.102 2.890 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.001 -2.947 5.228 1.00 15.00 C ATOM 0 H ILE A 35 -1.034 -5.956 2.328 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.306 -5.505 5.112 1.00 15.00 H new ATOM 0 HB ILE A 35 1.115 -5.128 2.786 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.565 -5.019 5.469 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.777 -4.675 4.251 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.436 -2.719 2.481 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.224 -3.225 2.085 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.111 -2.398 3.625 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.776 -2.964 5.994 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.293 -2.262 4.432 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.062 -2.612 5.669 1.00 15.00 H new ATOM 505 N TYR A 36 -1.358 -3.245 5.518 1.00 15.00 N ATOM 506 CA TYR A 36 -2.205 -2.129 5.888 1.00 15.00 C ATOM 507 C TYR A 36 -1.349 -0.991 6.408 1.00 15.00 C ATOM 508 O TYR A 36 -0.808 -1.058 7.512 1.00 15.00 O ATOM 509 CB TYR A 36 -3.226 -2.547 6.946 1.00 15.00 C ATOM 510 CG TYR A 36 -4.251 -3.534 6.440 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.914 -4.865 6.228 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.554 -3.136 6.176 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.847 -5.771 5.768 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.495 -4.036 5.716 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.137 -5.353 5.513 1.00 15.00 C ATOM 516 OH TYR A 36 -7.070 -6.254 5.054 1.00 15.00 O ATOM 0 H TYR A 36 -0.622 -3.455 6.192 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.750 -1.797 5.004 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.700 -2.985 7.794 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.740 -1.659 7.314 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.905 -5.196 6.427 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.837 -2.106 6.333 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.569 -6.802 5.608 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.505 -3.711 5.516 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.929 -5.799 4.926 1.00 15.00 H new ATOM 526 N VAL A 37 -1.209 0.044 5.597 1.00 15.00 N ATOM 527 CA VAL A 37 -0.391 1.188 5.972 1.00 15.00 C ATOM 528 C VAL A 37 -0.833 1.777 7.306 1.00 15.00 C ATOM 529 O VAL A 37 -2.019 1.804 7.625 1.00 15.00 O ATOM 530 CB VAL A 37 -0.384 2.302 4.883 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.717 1.755 3.508 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.317 3.454 5.213 1.00 15.00 C ATOM 0 H VAL A 37 -1.648 0.117 4.679 1.00 15.00 H new ATOM 0 HA VAL A 37 0.626 0.809 6.069 1.00 15.00 H new ATOM 0 HB VAL A 37 0.635 2.688 4.871 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.701 2.566 2.780 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.019 1.001 3.228 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.709 1.304 3.526 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.270 4.199 4.419 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.338 3.082 5.301 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.014 3.909 6.156 1.00 15.00 H new ATOM 542 N LYS A 38 0.125 2.275 8.070 1.00 15.00 N ATOM 543 CA LYS A 38 -0.179 2.897 9.345 1.00 15.00 C ATOM 544 C LYS A 38 -0.616 4.331 9.086 1.00 15.00 C ATOM 545 O LYS A 38 -1.636 4.786 9.602 1.00 15.00 O ATOM 546 CB LYS A 38 1.035 2.836 10.283 1.00 15.00 C ATOM 547 CG LYS A 38 1.314 4.114 11.066 1.00 15.00 C ATOM 548 CD LYS A 38 1.903 3.812 12.437 1.00 15.00 C ATOM 549 CE LYS A 38 2.928 2.691 12.375 1.00 15.00 C ATOM 550 NZ LYS A 38 4.004 2.862 13.391 1.00 15.00 N ATOM 0 H LYS A 38 1.116 2.260 7.829 1.00 15.00 H new ATOM 0 HA LYS A 38 -0.987 2.360 9.842 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.887 2.020 10.991 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.918 2.590 9.693 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.004 4.743 10.503 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.389 4.679 11.183 1.00 15.00 H new ATOM 0 HD2 LYS A 38 2.371 4.711 12.838 1.00 15.00 H new ATOM 0 HD3 LYS A 38 1.103 3.536 13.124 1.00 15.00 H new ATOM 0 HE2 LYS A 38 2.429 1.735 12.533 1.00 15.00 H new ATOM 0 HE3 LYS A 38 3.371 2.659 11.380 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 4.682 2.077 13.315 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 4.497 3.762 13.226 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 3.585 2.866 14.343 1.00 15.00 H new ATOM 564 N ALA A 39 0.160 5.029 8.260 1.00 15.00 N ATOM 565 CA ALA A 39 -0.151 6.405 7.898 1.00 15.00 C ATOM 566 C ALA A 39 0.777 6.914 6.799 1.00 15.00 C ATOM 567 O ALA A 39 1.766 6.265 6.464 1.00 15.00 O ATOM 568 CB ALA A 39 -0.097 7.299 9.118 1.00 15.00 C ATOM 0 H ALA A 39 1.009 4.662 7.830 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.166 6.429 7.502 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.332 8.323 8.829 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -0.823 6.954 9.854 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.903 7.264 9.551 1.00 15.00 H new ATOM 574 N VAL A 40 0.450 8.081 6.245 1.00 15.00 N ATOM 575 CA VAL A 40 1.253 8.683 5.177 1.00 15.00 C ATOM 576 C VAL A 40 2.217 9.732 5.736 1.00 15.00 C ATOM 577 O VAL A 40 1.797 10.698 6.372 1.00 15.00 O ATOM 578 CB VAL A 40 0.369 9.338 4.089 1.00 15.00 C ATOM 579 CG1 VAL A 40 0.246 8.435 2.873 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.006 9.679 4.637 1.00 15.00 C ATOM 0 H VAL A 40 -0.366 8.630 6.517 1.00 15.00 H new ATOM 0 HA VAL A 40 1.822 7.872 4.723 1.00 15.00 H new ATOM 0 HB VAL A 40 0.854 10.264 3.781 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.380 8.918 2.123 1.00 15.00 H new ATOM 0 HG12 VAL A 40 1.236 8.250 2.455 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.206 7.488 3.167 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -1.607 10.138 3.852 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -1.496 8.769 4.983 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -0.904 10.375 5.469 1.00 15.00 H new ATOM 590 N ILE A 41 3.512 9.517 5.509 1.00 15.00 N ATOM 591 CA ILE A 41 4.556 10.421 6.002 1.00 15.00 C ATOM 592 C ILE A 41 4.712 11.675 5.152 1.00 15.00 C ATOM 593 O ILE A 41 5.197 11.608 4.023 1.00 15.00 O ATOM 594 CB ILE A 41 5.924 9.701 6.095 1.00 15.00 C ATOM 595 CG1 ILE A 41 5.753 8.246 6.549 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.863 10.437 7.029 1.00 15.00 C ATOM 597 CD1 ILE A 41 4.672 8.047 7.591 1.00 15.00 C ATOM 0 H ILE A 41 3.868 8.719 4.983 1.00 15.00 H new ATOM 0 HA ILE A 41 4.230 10.728 6.996 1.00 15.00 H new ATOM 0 HB ILE A 41 6.363 9.699 5.097 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.523 7.630 5.680 1.00 15.00 H new ATOM 0 HG13 ILE A 41 6.701 7.888 6.951 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.816 9.910 7.076 1.00 15.00 H new ATOM 0 HG22 ILE A 41 7.026 11.449 6.658 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.424 10.482 8.026 1.00 15.00 H new ATOM 0 HD11 ILE A 41 4.614 6.992 7.859 1.00 15.00 H new ATOM 0 HD12 ILE A 41 4.909 8.634 8.478 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.713 8.372 7.187 1.00 15.00 H new ATOM 609 N PRO A 42 4.320 12.848 5.698 1.00 15.00 N ATOM 610 CA PRO A 42 4.431 14.130 4.994 1.00 15.00 C ATOM 611 C PRO A 42 5.881 14.529 4.749 1.00 15.00 C ATOM 612 O PRO A 42 6.359 15.542 5.261 1.00 15.00 O ATOM 613 CB PRO A 42 3.750 15.136 5.937 1.00 15.00 C ATOM 614 CG PRO A 42 2.993 14.308 6.920 1.00 15.00 C ATOM 615 CD PRO A 42 3.752 13.021 7.044 1.00 15.00 C ATOM 0 HA PRO A 42 3.972 14.086 4.006 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.486 15.765 6.438 1.00 15.00 H new ATOM 0 HB3 PRO A 42 3.083 15.801 5.387 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.921 14.813 7.883 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.974 14.129 6.577 1.00 15.00 H new ATOM 0 HD2 PRO A 42 4.529 13.081 7.806 1.00 15.00 H new ATOM 0 HD3 PRO A 42 3.100 12.191 7.318 1.00 15.00 H new ATOM 623 N GLN A 43 6.572 13.722 3.958 1.00 15.00 N ATOM 624 CA GLN A 43 7.967 13.970 3.627 1.00 15.00 C ATOM 625 C GLN A 43 8.338 13.219 2.357 1.00 15.00 C ATOM 626 O GLN A 43 8.964 13.771 1.452 1.00 15.00 O ATOM 627 CB GLN A 43 8.876 13.536 4.779 1.00 15.00 C ATOM 628 CG GLN A 43 9.281 14.676 5.699 1.00 15.00 C ATOM 629 CD GLN A 43 10.658 15.222 5.379 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.673 14.604 5.699 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.700 16.389 4.745 1.00 15.00 N ATOM 0 H GLN A 43 6.184 12.881 3.530 1.00 15.00 H new ATOM 0 HA GLN A 43 8.103 15.039 3.463 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.366 12.772 5.365 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.774 13.076 4.368 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.548 15.479 5.620 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.263 14.328 6.732 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.833 16.867 4.499 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.599 16.807 4.505 1.00 15.00 H new ATOM 640 N GLY A 44 7.934 11.954 2.295 1.00 15.00 N ATOM 641 CA GLY A 44 8.220 11.144 1.131 1.00 15.00 C ATOM 642 C GLY A 44 7.159 11.283 0.056 1.00 15.00 C ATOM 643 O GLY A 44 5.988 11.558 0.349 1.00 15.00 O ATOM 0 H GLY A 44 7.414 11.478 3.032 1.00 15.00 H new ATOM 0 HA2 GLY A 44 9.189 11.431 0.721 1.00 15.00 H new ATOM 0 HA3 GLY A 44 8.297 10.098 1.429 1.00 15.00 H new ATOM 647 N ALA A 45 7.585 11.091 -1.190 1.00 15.00 N ATOM 648 CA ALA A 45 6.715 11.196 -2.364 1.00 15.00 C ATOM 649 C ALA A 45 5.324 10.600 -2.147 1.00 15.00 C ATOM 650 O ALA A 45 4.394 10.916 -2.889 1.00 15.00 O ATOM 651 CB ALA A 45 7.381 10.534 -3.561 1.00 15.00 C ATOM 0 H ALA A 45 8.551 10.856 -1.418 1.00 15.00 H new ATOM 0 HA ALA A 45 6.570 12.260 -2.550 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.729 10.615 -4.431 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.329 11.030 -3.770 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.563 9.482 -3.341 1.00 15.00 H new ATOM 657 N ALA A 46 5.175 9.737 -1.151 1.00 15.00 N ATOM 658 CA ALA A 46 3.886 9.118 -0.888 1.00 15.00 C ATOM 659 C ALA A 46 2.896 10.120 -0.297 1.00 15.00 C ATOM 660 O ALA A 46 1.945 10.528 -0.970 1.00 15.00 O ATOM 661 CB ALA A 46 4.050 7.926 0.039 1.00 15.00 C ATOM 0 H ALA A 46 5.923 9.453 -0.519 1.00 15.00 H new ATOM 0 HA ALA A 46 3.482 8.772 -1.839 1.00 15.00 H new ATOM 0 HB1 ALA A 46 3.076 7.474 0.226 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.708 7.192 -0.426 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.484 8.256 0.983 1.00 15.00 H new ATOM 667 N GLU A 47 3.119 10.521 0.958 1.00 15.00 N ATOM 668 CA GLU A 47 2.231 11.486 1.609 1.00 15.00 C ATOM 669 C GLU A 47 2.177 12.781 0.807 1.00 15.00 C ATOM 670 O GLU A 47 1.122 13.404 0.685 1.00 15.00 O ATOM 671 CB GLU A 47 2.642 11.747 3.072 1.00 15.00 C ATOM 672 CG GLU A 47 1.628 12.572 3.862 1.00 15.00 C ATOM 673 CD GLU A 47 1.453 13.987 3.337 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.414 14.536 2.759 1.00 15.00 O ATOM 675 OE2 GLU A 47 0.350 14.548 3.508 1.00 15.00 O ATOM 0 H GLU A 47 3.895 10.198 1.536 1.00 15.00 H new ATOM 0 HA GLU A 47 1.230 11.056 1.635 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.788 10.791 3.574 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.602 12.262 3.083 1.00 15.00 H new ATOM 0 HG2 GLU A 47 0.664 12.064 3.841 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.942 12.617 4.905 1.00 15.00 H new ATOM 682 N SER A 48 3.323 13.180 0.258 1.00 15.00 N ATOM 683 CA SER A 48 3.406 14.400 -0.537 1.00 15.00 C ATOM 684 C SER A 48 2.370 14.379 -1.654 1.00 15.00 C ATOM 685 O SER A 48 1.439 15.184 -1.665 1.00 15.00 O ATOM 686 CB SER A 48 4.809 14.555 -1.128 1.00 15.00 C ATOM 687 OG SER A 48 5.684 15.184 -0.207 1.00 15.00 O ATOM 0 H SER A 48 4.205 12.676 0.350 1.00 15.00 H new ATOM 0 HA SER A 48 3.202 15.250 0.114 1.00 15.00 H new ATOM 0 HB2 SER A 48 5.203 13.575 -1.398 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.758 15.142 -2.045 1.00 15.00 H new ATOM 0 HG SER A 48 6.574 15.270 -0.608 1.00 15.00 H new ATOM 693 N ASP A 49 2.529 13.443 -2.582 1.00 15.00 N ATOM 694 CA ASP A 49 1.594 13.308 -3.690 1.00 15.00 C ATOM 695 C ASP A 49 0.211 12.948 -3.163 1.00 15.00 C ATOM 696 O ASP A 49 -0.806 13.416 -3.676 1.00 15.00 O ATOM 697 CB ASP A 49 2.079 12.239 -4.671 1.00 15.00 C ATOM 698 CG ASP A 49 2.140 12.750 -6.097 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.178 13.419 -6.530 1.00 15.00 O ATOM 700 OD2 ASP A 49 3.149 12.481 -6.782 1.00 15.00 O ATOM 0 H ASP A 49 3.294 12.769 -2.589 1.00 15.00 H new ATOM 0 HA ASP A 49 1.536 14.261 -4.217 1.00 15.00 H new ATOM 0 HB2 ASP A 49 3.068 11.894 -4.369 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.413 11.378 -4.625 1.00 15.00 H new ATOM 705 N GLY A 50 0.187 12.115 -2.127 1.00 15.00 N ATOM 706 CA GLY A 50 -1.068 11.702 -1.531 1.00 15.00 C ATOM 707 C GLY A 50 -1.728 10.576 -2.299 1.00 15.00 C ATOM 708 O GLY A 50 -2.951 10.538 -2.427 1.00 15.00 O ATOM 0 H GLY A 50 1.018 11.718 -1.689 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -0.892 11.383 -0.504 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.745 12.555 -1.488 1.00 15.00 H new ATOM 712 N ARG A 51 -0.918 9.655 -2.809 1.00 15.00 N ATOM 713 CA ARG A 51 -1.440 8.522 -3.567 1.00 15.00 C ATOM 714 C ARG A 51 -1.900 7.417 -2.627 1.00 15.00 C ATOM 715 O ARG A 51 -3.047 6.971 -2.687 1.00 15.00 O ATOM 716 CB ARG A 51 -0.381 7.986 -4.532 1.00 15.00 C ATOM 717 CG ARG A 51 -0.280 8.778 -5.825 1.00 15.00 C ATOM 718 CD ARG A 51 -1.466 8.508 -6.738 1.00 15.00 C ATOM 719 NE ARG A 51 -1.994 9.737 -7.327 1.00 15.00 N ATOM 720 CZ ARG A 51 -1.312 10.504 -8.174 1.00 15.00 C ATOM 721 NH1 ARG A 51 -0.079 10.172 -8.535 1.00 15.00 N ATOM 722 NH2 ARG A 51 -1.865 11.605 -8.663 1.00 15.00 N ATOM 0 H ARG A 51 0.097 9.669 -2.713 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.297 8.866 -4.147 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.589 7.993 -4.035 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.610 6.947 -4.769 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.230 9.843 -5.598 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.644 8.518 -6.341 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.164 7.826 -7.533 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.253 8.010 -6.172 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.940 10.023 -7.074 1.00 15.00 H new ATOM 0 HH11 ARG A 51 0.351 9.325 -8.163 1.00 15.00 H new ATOM 0 HH12 ARG A 51 0.439 10.764 -9.185 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -2.813 11.864 -8.390 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -1.342 12.193 -9.312 1.00 15.00 H new ATOM 736 N ILE A 52 -1.001 6.987 -1.752 1.00 15.00 N ATOM 737 CA ILE A 52 -1.306 5.945 -0.787 1.00 15.00 C ATOM 738 C ILE A 52 -2.053 6.537 0.411 1.00 15.00 C ATOM 739 O ILE A 52 -1.999 7.745 0.641 1.00 15.00 O ATOM 740 CB ILE A 52 -0.011 5.248 -0.328 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.333 3.969 0.432 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.838 6.186 0.517 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.043 2.936 -0.406 1.00 15.00 C ATOM 0 H ILE A 52 -0.049 7.348 -1.693 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.947 5.202 -1.261 1.00 15.00 H new ATOM 0 HB ILE A 52 0.567 4.981 -1.213 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.593 3.541 0.816 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -0.952 4.214 1.295 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.747 5.672 0.830 1.00 15.00 H new ATOM 0 HG22 ILE A 52 1.102 7.066 -0.070 1.00 15.00 H new ATOM 0 HG23 ILE A 52 0.274 6.493 1.398 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.241 2.051 0.198 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -1.985 3.347 -0.768 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.416 2.663 -1.255 1.00 15.00 H new ATOM 755 N HIS A 53 -2.768 5.698 1.158 1.00 15.00 N ATOM 756 CA HIS A 53 -3.534 6.180 2.305 1.00 15.00 C ATOM 757 C HIS A 53 -3.507 5.217 3.477 1.00 15.00 C ATOM 758 O HIS A 53 -3.191 4.037 3.338 1.00 15.00 O ATOM 759 CB HIS A 53 -4.981 6.461 1.896 1.00 15.00 C ATOM 760 CG HIS A 53 -5.119 7.579 0.910 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.159 7.380 -0.454 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.228 8.916 1.096 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.285 8.545 -1.064 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.330 9.493 -0.146 1.00 15.00 N ATOM 0 H HIS A 53 -2.833 4.694 0.993 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.057 7.103 2.636 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.411 5.555 1.468 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.562 6.700 2.787 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.234 9.432 2.045 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.342 8.696 -2.132 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.425 10.492 -0.330 1.00 15.00 H new ATOM 773 N LYS A 54 -3.829 5.773 4.638 1.00 15.00 N ATOM 774 CA LYS A 54 -3.844 5.046 5.895 1.00 15.00 C ATOM 775 C LYS A 54 -4.503 3.668 5.775 1.00 15.00 C ATOM 776 O LYS A 54 -5.573 3.525 5.184 1.00 15.00 O ATOM 777 CB LYS A 54 -4.572 5.873 6.958 1.00 15.00 C ATOM 778 CG LYS A 54 -3.648 6.467 8.005 1.00 15.00 C ATOM 779 CD LYS A 54 -4.375 6.709 9.318 1.00 15.00 C ATOM 780 CE LYS A 54 -4.508 5.428 10.128 1.00 15.00 C ATOM 781 NZ LYS A 54 -4.158 5.637 11.560 1.00 15.00 N ATOM 0 H LYS A 54 -4.090 6.755 4.731 1.00 15.00 H new ATOM 0 HA LYS A 54 -2.806 4.882 6.184 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.118 6.679 6.468 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.311 5.243 7.453 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -2.807 5.795 8.173 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.237 7.407 7.637 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -3.835 7.455 9.901 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.365 7.117 9.117 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.530 5.057 10.055 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.859 4.661 9.704 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -4.262 4.741 12.077 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -3.174 5.967 11.632 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -4.793 6.350 11.972 1.00 15.00 H new ATOM 795 N GLY A 55 -3.853 2.661 6.360 1.00 15.00 N ATOM 796 CA GLY A 55 -4.376 1.302 6.336 1.00 15.00 C ATOM 797 C GLY A 55 -4.778 0.836 4.954 1.00 15.00 C ATOM 798 O GLY A 55 -5.679 0.009 4.813 1.00 15.00 O ATOM 0 H GLY A 55 -2.966 2.764 6.854 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.622 0.624 6.735 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.240 1.242 6.997 1.00 15.00 H new ATOM 802 N ASP A 56 -4.110 1.351 3.931 1.00 15.00 N ATOM 803 CA ASP A 56 -4.417 0.952 2.564 1.00 15.00 C ATOM 804 C ASP A 56 -4.073 -0.518 2.349 1.00 15.00 C ATOM 805 O ASP A 56 -2.963 -0.955 2.659 1.00 15.00 O ATOM 806 CB ASP A 56 -3.657 1.827 1.565 1.00 15.00 C ATOM 807 CG ASP A 56 -4.509 2.957 1.020 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.684 3.068 1.431 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.002 3.731 0.183 1.00 15.00 O ATOM 0 H ASP A 56 -3.361 2.038 4.019 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.486 1.087 2.398 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -2.774 2.243 2.049 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.306 1.209 0.738 1.00 15.00 H new ATOM 814 N ARG A 57 -5.030 -1.278 1.820 1.00 15.00 N ATOM 815 CA ARG A 57 -4.823 -2.700 1.566 1.00 15.00 C ATOM 816 C ARG A 57 -4.087 -2.906 0.248 1.00 15.00 C ATOM 817 O ARG A 57 -4.704 -2.961 -0.816 1.00 15.00 O ATOM 818 CB ARG A 57 -6.164 -3.438 1.542 1.00 15.00 C ATOM 819 CG ARG A 57 -6.310 -4.458 2.659 1.00 15.00 C ATOM 820 CD ARG A 57 -6.085 -5.876 2.157 1.00 15.00 C ATOM 821 NE ARG A 57 -7.308 -6.674 2.204 1.00 15.00 N ATOM 822 CZ ARG A 57 -7.325 -8.005 2.186 1.00 15.00 C ATOM 823 NH1 ARG A 57 -6.189 -8.689 2.120 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.480 -8.655 2.236 1.00 15.00 N ATOM 0 H ARG A 57 -5.954 -0.933 1.560 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.213 -3.107 2.372 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.972 -2.711 1.616 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.276 -3.942 0.582 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.596 -4.235 3.452 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.306 -4.380 3.096 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -5.713 -5.843 1.133 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -5.315 -6.356 2.761 1.00 15.00 H new ATOM 0 HE ARG A 57 -8.201 -6.183 2.253 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -5.298 -8.195 2.083 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -6.208 -9.709 2.107 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -9.356 -8.135 2.288 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.492 -9.675 2.222 1.00 15.00 H new ATOM 838 N VAL A 58 -2.765 -3.008 0.325 1.00 15.00 N ATOM 839 CA VAL A 58 -1.945 -3.192 -0.864 1.00 15.00 C ATOM 840 C VAL A 58 -1.821 -4.670 -1.239 1.00 15.00 C ATOM 841 O VAL A 58 -1.273 -5.478 -0.480 1.00 15.00 O ATOM 842 CB VAL A 58 -0.544 -2.557 -0.684 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.638 -1.279 0.141 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.436 -3.529 -0.042 1.00 15.00 C ATOM 0 H VAL A 58 -2.240 -2.966 1.198 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.449 -2.680 -1.684 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.166 -2.311 -1.676 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.356 -0.847 0.257 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.287 -0.565 -0.366 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.050 -1.510 1.123 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.407 -3.047 0.068 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.065 -3.825 0.939 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.538 -4.412 -0.673 1.00 15.00 H new ATOM 854 N LEU A 59 -2.358 -5.015 -2.409 1.00 15.00 N ATOM 855 CA LEU A 59 -2.328 -6.392 -2.898 1.00 15.00 C ATOM 856 C LEU A 59 -1.349 -6.581 -4.061 1.00 15.00 C ATOM 857 O LEU A 59 -1.031 -7.713 -4.425 1.00 15.00 O ATOM 858 CB LEU A 59 -3.727 -6.832 -3.333 1.00 15.00 C ATOM 859 CG LEU A 59 -4.631 -7.329 -2.203 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.078 -8.613 -1.604 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.781 -6.260 -1.132 1.00 15.00 C ATOM 0 H LEU A 59 -2.820 -4.357 -3.037 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.983 -7.012 -2.071 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.217 -5.994 -3.828 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.628 -7.625 -4.074 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.617 -7.541 -2.617 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.734 -8.952 -0.802 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.023 -9.380 -2.376 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.081 -8.428 -1.204 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.427 -6.630 -0.336 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.801 -6.017 -0.721 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.222 -5.365 -1.571 1.00 15.00 H new ATOM 873 N ALA A 60 -0.896 -5.484 -4.669 1.00 15.00 N ATOM 874 CA ALA A 60 0.015 -5.579 -5.811 1.00 15.00 C ATOM 875 C ALA A 60 1.002 -4.414 -5.878 1.00 15.00 C ATOM 876 O ALA A 60 0.700 -3.296 -5.464 1.00 15.00 O ATOM 877 CB ALA A 60 -0.788 -5.653 -7.102 1.00 15.00 C ATOM 0 H ALA A 60 -1.140 -4.532 -4.395 1.00 15.00 H new ATOM 0 HA ALA A 60 0.603 -6.487 -5.680 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.107 -5.724 -7.950 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.432 -6.532 -7.080 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.400 -4.757 -7.202 1.00 15.00 H new ATOM 883 N VAL A 61 2.177 -4.698 -6.435 1.00 15.00 N ATOM 884 CA VAL A 61 3.233 -3.703 -6.607 1.00 15.00 C ATOM 885 C VAL A 61 3.881 -3.897 -7.968 1.00 15.00 C ATOM 886 O VAL A 61 4.656 -4.833 -8.169 1.00 15.00 O ATOM 887 CB VAL A 61 4.309 -3.806 -5.509 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.412 -2.783 -5.741 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.684 -3.625 -4.136 1.00 15.00 C ATOM 0 H VAL A 61 2.424 -5.625 -6.780 1.00 15.00 H new ATOM 0 HA VAL A 61 2.779 -2.715 -6.533 1.00 15.00 H new ATOM 0 HB VAL A 61 4.755 -4.800 -5.554 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.162 -2.872 -4.955 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.878 -2.964 -6.710 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.987 -1.779 -5.725 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.457 -3.701 -3.371 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.211 -2.645 -4.078 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.935 -4.400 -3.972 1.00 15.00 H new ATOM 899 N ASN A 62 3.529 -3.034 -8.912 1.00 15.00 N ATOM 900 CA ASN A 62 4.049 -3.142 -10.267 1.00 15.00 C ATOM 901 C ASN A 62 3.542 -4.434 -10.907 1.00 15.00 C ATOM 902 O ASN A 62 4.078 -4.895 -11.916 1.00 15.00 O ATOM 903 CB ASN A 62 5.579 -3.112 -10.266 1.00 15.00 C ATOM 904 CG ASN A 62 6.129 -1.716 -10.487 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.029 -1.512 -11.301 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.588 -0.745 -9.760 1.00 15.00 N ATOM 0 H ASN A 62 2.888 -2.254 -8.765 1.00 15.00 H new ATOM 0 HA ASN A 62 3.697 -2.290 -10.848 1.00 15.00 H new ATOM 0 HB2 ASN A 62 5.947 -3.498 -9.315 1.00 15.00 H new ATOM 0 HB3 ASN A 62 5.953 -3.775 -11.046 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.917 0.215 -9.865 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.843 -0.959 -9.096 1.00 15.00 H new ATOM 913 N GLY A 63 2.498 -5.009 -10.306 1.00 15.00 N ATOM 914 CA GLY A 63 1.916 -6.236 -10.812 1.00 15.00 C ATOM 915 C GLY A 63 2.313 -7.460 -10.008 1.00 15.00 C ATOM 916 O GLY A 63 1.990 -8.586 -10.388 1.00 15.00 O ATOM 0 H GLY A 63 2.045 -4.639 -9.470 1.00 15.00 H new ATOM 0 HA2 GLY A 63 0.830 -6.144 -10.809 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.222 -6.375 -11.849 1.00 15.00 H new ATOM 920 N VAL A 64 3.002 -7.249 -8.890 1.00 15.00 N ATOM 921 CA VAL A 64 3.419 -8.357 -8.041 1.00 15.00 C ATOM 922 C VAL A 64 2.396 -8.604 -6.933 1.00 15.00 C ATOM 923 O VAL A 64 2.288 -7.828 -5.984 1.00 15.00 O ATOM 924 CB VAL A 64 4.818 -8.113 -7.427 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.762 -7.095 -6.300 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.423 -9.421 -6.942 1.00 15.00 C ATOM 0 H VAL A 64 3.281 -6.327 -8.554 1.00 15.00 H new ATOM 0 HA VAL A 64 3.479 -9.243 -8.673 1.00 15.00 H new ATOM 0 HB VAL A 64 5.458 -7.703 -8.209 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.762 -6.948 -5.892 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.384 -6.147 -6.684 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.099 -7.458 -5.514 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.407 -9.230 -6.513 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.776 -9.862 -6.184 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.520 -10.110 -7.781 1.00 15.00 H new ATOM 936 N SER A 65 1.636 -9.683 -7.068 1.00 15.00 N ATOM 937 CA SER A 65 0.614 -10.024 -6.084 1.00 15.00 C ATOM 938 C SER A 65 1.226 -10.195 -4.700 1.00 15.00 C ATOM 939 O SER A 65 2.132 -11.005 -4.502 1.00 15.00 O ATOM 940 CB SER A 65 -0.116 -11.304 -6.495 1.00 15.00 C ATOM 941 OG SER A 65 0.735 -12.163 -7.233 1.00 15.00 O ATOM 0 H SER A 65 1.707 -10.337 -7.848 1.00 15.00 H new ATOM 0 HA SER A 65 -0.103 -9.204 -6.045 1.00 15.00 H new ATOM 0 HB2 SER A 65 -0.478 -11.821 -5.606 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.991 -11.051 -7.094 1.00 15.00 H new ATOM 0 HG SER A 65 0.245 -12.974 -7.482 1.00 15.00 H new ATOM 947 N LEU A 66 0.724 -9.421 -3.746 1.00 15.00 N ATOM 948 CA LEU A 66 1.214 -9.476 -2.376 1.00 15.00 C ATOM 949 C LEU A 66 0.368 -10.418 -1.522 1.00 15.00 C ATOM 950 O LEU A 66 0.757 -10.773 -0.409 1.00 15.00 O ATOM 951 CB LEU A 66 1.221 -8.075 -1.765 1.00 15.00 C ATOM 952 CG LEU A 66 2.604 -7.436 -1.635 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.481 -5.981 -1.215 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.456 -8.211 -0.641 1.00 15.00 C ATOM 0 H LEU A 66 -0.025 -8.746 -3.898 1.00 15.00 H new ATOM 0 HA LEU A 66 2.232 -9.864 -2.397 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.593 -7.426 -2.374 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.765 -8.123 -0.776 1.00 15.00 H new ATOM 0 HG LEU A 66 3.094 -7.471 -2.608 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.475 -5.542 -1.127 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.907 -5.434 -1.963 1.00 15.00 H new ATOM 0 HD13 LEU A 66 1.972 -5.922 -0.253 1.00 15.00 H new ATOM 0 HD21 LEU A 66 4.437 -7.743 -0.560 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.971 -8.207 0.335 1.00 15.00 H new ATOM 0 HD23 LEU A 66 3.572 -9.239 -0.985 1.00 15.00 H new ATOM 966 N GLU A 67 -0.791 -10.823 -2.046 1.00 15.00 N ATOM 967 CA GLU A 67 -1.684 -11.727 -1.325 1.00 15.00 C ATOM 968 C GLU A 67 -0.902 -12.876 -0.694 1.00 15.00 C ATOM 969 O GLU A 67 -0.575 -13.858 -1.360 1.00 15.00 O ATOM 970 CB GLU A 67 -2.754 -12.280 -2.268 1.00 15.00 C ATOM 971 CG GLU A 67 -4.043 -12.669 -1.563 1.00 15.00 C ATOM 972 CD GLU A 67 -5.122 -13.121 -2.527 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.801 -13.886 -3.462 1.00 15.00 O ATOM 974 OE2 GLU A 67 -6.288 -12.711 -2.349 1.00 15.00 O ATOM 0 H GLU A 67 -1.131 -10.539 -2.965 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.168 -11.161 -0.529 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.977 -11.532 -3.029 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.355 -13.152 -2.785 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.837 -13.470 -0.853 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.409 -11.819 -0.987 1.00 15.00 H new ATOM 981 N GLY A 68 -0.599 -12.738 0.592 1.00 15.00 N ATOM 982 CA GLY A 68 0.152 -13.762 1.293 1.00 15.00 C ATOM 983 C GLY A 68 1.564 -13.313 1.617 1.00 15.00 C ATOM 984 O GLY A 68 2.532 -13.837 1.067 1.00 15.00 O ATOM 0 H GLY A 68 -0.861 -11.934 1.162 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.366 -14.023 2.216 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.190 -14.665 0.683 1.00 15.00 H new ATOM 988 N ALA A 69 1.677 -12.334 2.508 1.00 15.00 N ATOM 989 CA ALA A 69 2.974 -11.802 2.906 1.00 15.00 C ATOM 990 C ALA A 69 2.825 -10.816 4.061 1.00 15.00 C ATOM 991 O ALA A 69 1.814 -10.125 4.172 1.00 15.00 O ATOM 992 CB ALA A 69 3.651 -11.132 1.720 1.00 15.00 C ATOM 0 H ALA A 69 0.882 -11.892 2.970 1.00 15.00 H new ATOM 0 HA ALA A 69 3.597 -12.630 3.245 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.619 -10.738 2.029 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.793 -11.861 0.923 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.026 -10.316 1.358 1.00 15.00 H new ATOM 998 N THR A 70 3.835 -10.759 4.922 1.00 15.00 N ATOM 999 CA THR A 70 3.804 -9.858 6.070 1.00 15.00 C ATOM 1000 C THR A 70 3.997 -8.408 5.634 1.00 15.00 C ATOM 1001 O THR A 70 4.044 -8.105 4.442 1.00 15.00 O ATOM 1002 CB THR A 70 4.883 -10.244 7.091 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.117 -9.618 6.787 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.133 -11.735 7.173 1.00 15.00 C ATOM 0 H THR A 70 4.682 -11.323 4.848 1.00 15.00 H new ATOM 0 HA THR A 70 2.824 -9.952 6.539 1.00 15.00 H new ATOM 0 HB THR A 70 4.495 -9.905 8.052 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.788 -9.878 7.452 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.907 -11.934 7.914 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.213 -12.243 7.464 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.459 -12.103 6.200 1.00 15.00 H new ATOM 1012 N HIS A 71 4.105 -7.517 6.614 1.00 15.00 N ATOM 1013 CA HIS A 71 4.289 -6.095 6.351 1.00 15.00 C ATOM 1014 C HIS A 71 5.613 -5.847 5.636 1.00 15.00 C ATOM 1015 O HIS A 71 5.643 -5.310 4.529 1.00 15.00 O ATOM 1016 CB HIS A 71 4.210 -5.314 7.674 1.00 15.00 C ATOM 1017 CG HIS A 71 5.262 -4.260 7.859 1.00 15.00 C ATOM 1018 ND1 HIS A 71 6.031 -4.164 8.999 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.661 -3.249 7.052 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.855 -3.140 8.888 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.653 -2.569 7.716 1.00 15.00 N ATOM 0 H HIS A 71 4.068 -7.758 7.605 1.00 15.00 H new ATOM 0 HA HIS A 71 3.494 -5.744 5.693 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.230 -4.842 7.740 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.279 -6.022 8.500 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.972 -4.788 9.804 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.273 -3.020 6.071 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.573 -2.823 9.630 1.00 15.00 H new ATOM 1030 N LYS A 72 6.703 -6.248 6.276 1.00 15.00 N ATOM 1031 CA LYS A 72 8.034 -6.079 5.704 1.00 15.00 C ATOM 1032 C LYS A 72 8.094 -6.658 4.297 1.00 15.00 C ATOM 1033 O LYS A 72 8.798 -6.139 3.433 1.00 15.00 O ATOM 1034 CB LYS A 72 9.075 -6.754 6.597 1.00 15.00 C ATOM 1035 CG LYS A 72 10.508 -6.381 6.254 1.00 15.00 C ATOM 1036 CD LYS A 72 11.498 -7.046 7.195 1.00 15.00 C ATOM 1037 CE LYS A 72 11.625 -8.534 6.910 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.696 -8.819 5.915 1.00 15.00 N ATOM 0 H LYS A 72 6.693 -6.694 7.193 1.00 15.00 H new ATOM 0 HA LYS A 72 8.253 -5.013 5.645 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.878 -6.487 7.635 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.962 -7.835 6.519 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.726 -6.676 5.228 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.626 -5.299 6.306 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.474 -6.571 7.094 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.177 -6.898 8.226 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.841 -9.064 7.838 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.674 -8.915 6.539 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.751 -9.844 5.748 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.478 -8.334 5.021 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.608 -8.478 6.280 1.00 15.00 H new ATOM 1052 N GLN A 73 7.339 -7.727 4.063 1.00 15.00 N ATOM 1053 CA GLN A 73 7.305 -8.351 2.747 1.00 15.00 C ATOM 1054 C GLN A 73 6.825 -7.339 1.720 1.00 15.00 C ATOM 1055 O GLN A 73 7.462 -7.134 0.687 1.00 15.00 O ATOM 1056 CB GLN A 73 6.391 -9.576 2.752 1.00 15.00 C ATOM 1057 CG GLN A 73 6.966 -10.754 3.520 1.00 15.00 C ATOM 1058 CD GLN A 73 6.799 -12.070 2.786 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.838 -12.804 3.016 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.737 -12.375 1.896 1.00 15.00 N ATOM 0 H GLN A 73 6.747 -8.176 4.762 1.00 15.00 H new ATOM 0 HA GLN A 73 8.310 -8.682 2.486 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.430 -9.302 3.188 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.199 -9.881 1.723 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.026 -10.579 3.706 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.478 -10.821 4.493 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.517 -11.737 1.737 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.678 -13.248 1.371 1.00 15.00 H new ATOM 1069 N ALA A 74 5.711 -6.687 2.030 1.00 15.00 N ATOM 1070 CA ALA A 74 5.163 -5.669 1.149 1.00 15.00 C ATOM 1071 C ALA A 74 6.098 -4.473 1.099 1.00 15.00 C ATOM 1072 O ALA A 74 6.413 -3.962 0.026 1.00 15.00 O ATOM 1073 CB ALA A 74 3.789 -5.235 1.610 1.00 15.00 C ATOM 0 H ALA A 74 5.173 -6.846 2.882 1.00 15.00 H new ATOM 0 HA ALA A 74 5.067 -6.094 0.150 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.402 -4.473 0.933 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.118 -6.094 1.611 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.856 -4.825 2.618 1.00 15.00 H new ATOM 1079 N VAL A 75 6.559 -4.047 2.276 1.00 15.00 N ATOM 1080 CA VAL A 75 7.490 -2.928 2.381 1.00 15.00 C ATOM 1081 C VAL A 75 8.535 -3.043 1.286 1.00 15.00 C ATOM 1082 O VAL A 75 8.902 -2.062 0.642 1.00 15.00 O ATOM 1083 CB VAL A 75 8.169 -2.917 3.774 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.661 -3.220 3.688 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.938 -1.597 4.481 1.00 15.00 C ATOM 0 H VAL A 75 6.301 -4.463 3.171 1.00 15.00 H new ATOM 0 HA VAL A 75 6.943 -1.993 2.263 1.00 15.00 H new ATOM 0 HB VAL A 75 7.706 -3.712 4.358 1.00 15.00 H new ATOM 0 HG11 VAL A 75 10.094 -3.201 4.688 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.807 -4.206 3.247 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.150 -2.469 3.067 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.425 -1.616 5.456 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.355 -0.786 3.883 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.868 -1.437 4.613 1.00 15.00 H new ATOM 1095 N GLU A 76 8.986 -4.269 1.077 1.00 15.00 N ATOM 1096 CA GLU A 76 9.969 -4.559 0.054 1.00 15.00 C ATOM 1097 C GLU A 76 9.379 -4.342 -1.338 1.00 15.00 C ATOM 1098 O GLU A 76 10.018 -3.740 -2.197 1.00 15.00 O ATOM 1099 CB GLU A 76 10.472 -5.996 0.198 1.00 15.00 C ATOM 1100 CG GLU A 76 11.104 -6.283 1.552 1.00 15.00 C ATOM 1101 CD GLU A 76 11.042 -7.751 1.926 1.00 15.00 C ATOM 1102 OE1 GLU A 76 11.445 -8.592 1.096 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.590 -8.059 3.049 1.00 15.00 O ATOM 0 H GLU A 76 8.682 -5.084 1.609 1.00 15.00 H new ATOM 0 HA GLU A 76 10.810 -3.877 0.180 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.639 -6.682 0.041 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.202 -6.197 -0.586 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.145 -5.959 1.539 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.597 -5.695 2.317 1.00 15.00 H new ATOM 1110 N THR A 77 8.156 -4.832 -1.560 1.00 15.00 N ATOM 1111 CA THR A 77 7.506 -4.676 -2.861 1.00 15.00 C ATOM 1112 C THR A 77 7.234 -3.208 -3.181 1.00 15.00 C ATOM 1113 O THR A 77 7.651 -2.707 -4.225 1.00 15.00 O ATOM 1114 CB THR A 77 6.207 -5.476 -2.927 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.430 -5.278 -1.761 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.427 -6.964 -3.088 1.00 15.00 C ATOM 0 H THR A 77 7.603 -5.334 -0.865 1.00 15.00 H new ATOM 0 HA THR A 77 8.194 -5.066 -3.611 1.00 15.00 H new ATOM 0 HB THR A 77 5.688 -5.105 -3.811 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.887 -4.646 -1.167 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.463 -7.472 -3.128 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.975 -7.153 -4.011 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.001 -7.341 -2.241 1.00 15.00 H new ATOM 1124 N LEU A 78 6.533 -2.519 -2.279 1.00 15.00 N ATOM 1125 CA LEU A 78 6.209 -1.107 -2.484 1.00 15.00 C ATOM 1126 C LEU A 78 7.473 -0.316 -2.776 1.00 15.00 C ATOM 1127 O LEU A 78 7.528 0.469 -3.723 1.00 15.00 O ATOM 1128 CB LEU A 78 5.516 -0.519 -1.249 1.00 15.00 C ATOM 1129 CG LEU A 78 4.531 -1.449 -0.540 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.798 -0.704 0.565 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.542 -2.043 -1.534 1.00 15.00 C ATOM 0 H LEU A 78 6.181 -2.912 -1.406 1.00 15.00 H new ATOM 0 HA LEU A 78 5.530 -1.038 -3.334 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.281 -0.217 -0.534 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.984 0.384 -1.548 1.00 15.00 H new ATOM 0 HG LEU A 78 5.094 -2.267 -0.090 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.101 -1.380 1.059 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.519 -0.331 1.292 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.248 0.134 0.136 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.850 -2.702 -1.009 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.984 -1.240 -2.016 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.083 -2.613 -2.289 1.00 15.00 H new ATOM 1143 N ARG A 79 8.488 -0.540 -1.958 1.00 15.00 N ATOM 1144 CA ARG A 79 9.763 0.134 -2.118 1.00 15.00 C ATOM 1145 C ARG A 79 10.464 -0.343 -3.389 1.00 15.00 C ATOM 1146 O ARG A 79 10.788 0.455 -4.268 1.00 15.00 O ATOM 1147 CB ARG A 79 10.638 -0.128 -0.892 1.00 15.00 C ATOM 1148 CG ARG A 79 11.540 1.039 -0.525 1.00 15.00 C ATOM 1149 CD ARG A 79 11.715 1.154 0.981 1.00 15.00 C ATOM 1150 NE ARG A 79 12.829 0.344 1.466 1.00 15.00 N ATOM 1151 CZ ARG A 79 12.954 -0.067 2.726 1.00 15.00 C ATOM 1152 NH1 ARG A 79 12.040 0.258 3.631 1.00 15.00 N ATOM 1153 NH2 ARG A 79 13.998 -0.803 3.082 1.00 15.00 N ATOM 0 H ARG A 79 8.451 -1.188 -1.171 1.00 15.00 H new ATOM 0 HA ARG A 79 9.591 1.206 -2.209 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.997 -0.361 -0.042 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.254 -1.008 -1.078 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.514 0.910 -0.997 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.117 1.965 -0.915 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.882 2.197 1.248 1.00 15.00 H new ATOM 0 HD3 ARG A 79 10.796 0.841 1.478 1.00 15.00 H new ATOM 0 HE ARG A 79 13.554 0.077 0.800 1.00 15.00 H new ATOM 0 HH11 ARG A 79 11.236 0.826 3.363 1.00 15.00 H new ATOM 0 HH12 ARG A 79 12.141 -0.060 4.595 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.705 -1.054 2.391 1.00 15.00 H new ATOM 0 HH22 ARG A 79 14.094 -1.118 4.047 1.00 15.00 H new ATOM 1167 N ASN A 80 10.692 -1.652 -3.474 1.00 15.00 N ATOM 1168 CA ASN A 80 11.351 -2.254 -4.632 1.00 15.00 C ATOM 1169 C ASN A 80 10.501 -2.134 -5.899 1.00 15.00 C ATOM 1170 O ASN A 80 10.116 -3.144 -6.490 1.00 15.00 O ATOM 1171 CB ASN A 80 11.654 -3.729 -4.359 1.00 15.00 C ATOM 1172 CG ASN A 80 12.563 -3.921 -3.161 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.342 -3.035 -2.809 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.469 -5.085 -2.527 1.00 15.00 N ATOM 0 H ASN A 80 10.428 -2.320 -2.750 1.00 15.00 H new ATOM 0 HA ASN A 80 12.281 -1.709 -4.796 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.719 -4.264 -4.192 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.120 -4.170 -5.240 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.056 -5.272 -1.714 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.809 -5.791 -2.853 1.00 15.00 H new ATOM 1181 N THR A 81 10.220 -0.908 -6.324 1.00 15.00 N ATOM 1182 CA THR A 81 9.430 -0.692 -7.532 1.00 15.00 C ATOM 1183 C THR A 81 10.349 -0.473 -8.732 1.00 15.00 C ATOM 1184 O THR A 81 10.519 -1.363 -9.564 1.00 15.00 O ATOM 1185 CB THR A 81 8.482 0.498 -7.355 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.828 1.250 -6.204 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.028 0.089 -7.217 1.00 15.00 C ATOM 0 H THR A 81 10.524 -0.054 -5.856 1.00 15.00 H new ATOM 0 HA THR A 81 8.826 -1.581 -7.713 1.00 15.00 H new ATOM 0 HB THR A 81 8.592 1.093 -8.262 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.324 0.917 -5.432 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.410 0.978 -7.095 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.715 -0.450 -8.111 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.912 -0.556 -6.346 1.00 15.00 H new ATOM 1195 N GLY A 82 10.948 0.712 -8.808 1.00 15.00 N ATOM 1196 CA GLY A 82 11.851 1.018 -9.900 1.00 15.00 C ATOM 1197 C GLY A 82 11.402 2.211 -10.719 1.00 15.00 C ATOM 1198 O GLY A 82 11.576 3.359 -10.312 1.00 15.00 O ATOM 0 H GLY A 82 10.823 1.465 -8.132 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.846 1.213 -9.499 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.934 0.148 -10.551 1.00 15.00 H new ATOM 1202 N GLN A 83 10.829 1.933 -11.881 1.00 15.00 N ATOM 1203 CA GLN A 83 10.356 2.987 -12.775 1.00 15.00 C ATOM 1204 C GLN A 83 9.211 3.779 -12.140 1.00 15.00 C ATOM 1205 O GLN A 83 9.436 4.819 -11.521 1.00 15.00 O ATOM 1206 CB GLN A 83 9.918 2.402 -14.126 1.00 15.00 C ATOM 1207 CG GLN A 83 9.283 1.021 -14.032 1.00 15.00 C ATOM 1208 CD GLN A 83 8.045 0.889 -14.896 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.455 1.886 -15.311 1.00 15.00 O ATOM 1210 NE2 GLN A 83 7.644 -0.347 -15.170 1.00 15.00 N ATOM 0 H GLN A 83 10.679 0.986 -12.230 1.00 15.00 H new ATOM 0 HA GLN A 83 11.187 3.671 -12.948 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.208 3.085 -14.592 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.785 2.347 -14.784 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.013 0.269 -14.332 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.021 0.816 -12.994 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.164 -1.145 -14.805 1.00 15.00 H new ATOM 0 HE22 GLN A 83 6.816 -0.499 -15.746 1.00 15.00 H new ATOM 1219 N VAL A 84 7.987 3.285 -12.300 1.00 15.00 N ATOM 1220 CA VAL A 84 6.811 3.943 -11.747 1.00 15.00 C ATOM 1221 C VAL A 84 6.230 3.132 -10.590 1.00 15.00 C ATOM 1222 O VAL A 84 6.494 1.936 -10.461 1.00 15.00 O ATOM 1223 CB VAL A 84 5.732 4.150 -12.833 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.453 4.726 -12.243 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.263 5.054 -13.934 1.00 15.00 C ATOM 0 H VAL A 84 7.785 2.426 -12.811 1.00 15.00 H new ATOM 0 HA VAL A 84 7.123 4.918 -11.373 1.00 15.00 H new ATOM 0 HB VAL A 84 5.491 3.176 -13.259 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.715 4.859 -13.034 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.059 4.042 -11.491 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.667 5.690 -11.781 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.494 5.193 -14.694 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.534 6.021 -13.511 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.143 4.597 -14.387 1.00 15.00 H new ATOM 1235 N VAL A 85 5.434 3.786 -9.756 1.00 15.00 N ATOM 1236 CA VAL A 85 4.817 3.126 -8.618 1.00 15.00 C ATOM 1237 C VAL A 85 3.388 2.712 -8.960 1.00 15.00 C ATOM 1238 O VAL A 85 2.427 3.403 -8.626 1.00 15.00 O ATOM 1239 CB VAL A 85 4.829 4.052 -7.376 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.727 3.694 -6.386 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.187 4.005 -6.694 1.00 15.00 C ATOM 0 H VAL A 85 5.201 4.775 -9.848 1.00 15.00 H new ATOM 0 HA VAL A 85 5.394 2.232 -8.383 1.00 15.00 H new ATOM 0 HB VAL A 85 4.638 5.067 -7.725 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.773 4.368 -5.531 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.756 3.790 -6.872 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.863 2.667 -6.046 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.180 4.661 -5.823 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.400 2.984 -6.378 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.956 4.337 -7.392 1.00 15.00 H new ATOM 1251 N HIS A 86 3.264 1.575 -9.636 1.00 15.00 N ATOM 1252 CA HIS A 86 1.959 1.055 -10.029 1.00 15.00 C ATOM 1253 C HIS A 86 1.470 0.029 -9.014 1.00 15.00 C ATOM 1254 O HIS A 86 1.629 -1.176 -9.205 1.00 15.00 O ATOM 1255 CB HIS A 86 2.033 0.423 -11.419 1.00 15.00 C ATOM 1256 CG HIS A 86 0.699 0.277 -12.083 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.328 1.183 -11.917 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.224 -0.677 -12.918 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.376 0.792 -12.619 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.066 -0.333 -13.236 1.00 15.00 N ATOM 0 H HIS A 86 4.052 0.995 -9.924 1.00 15.00 H new ATOM 0 HA HIS A 86 1.252 1.884 -10.059 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.680 1.031 -12.051 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.499 -0.559 -11.338 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.760 -1.547 -13.268 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.325 1.305 -12.678 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.685 -0.862 -13.850 1.00 15.00 H new ATOM 1269 N LEU A 87 0.889 0.520 -7.926 1.00 15.00 N ATOM 1270 CA LEU A 87 0.389 -0.346 -6.867 1.00 15.00 C ATOM 1271 C LEU A 87 -1.125 -0.506 -6.937 1.00 15.00 C ATOM 1272 O LEU A 87 -1.864 0.470 -6.853 1.00 15.00 O ATOM 1273 CB LEU A 87 0.780 0.223 -5.501 1.00 15.00 C ATOM 1274 CG LEU A 87 1.723 -0.654 -4.685 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.871 0.170 -4.120 1.00 15.00 C ATOM 1276 CD2 LEU A 87 0.962 -1.348 -3.567 1.00 15.00 C ATOM 0 H LEU A 87 0.753 1.516 -7.754 1.00 15.00 H new ATOM 0 HA LEU A 87 0.839 -1.329 -7.003 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.250 1.195 -5.650 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.127 0.393 -4.921 1.00 15.00 H new ATOM 0 HG LEU A 87 2.143 -1.414 -5.343 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.532 -0.475 -3.541 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.431 0.623 -4.938 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.473 0.954 -3.475 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.647 -1.971 -2.992 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.516 -0.600 -2.912 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.176 -1.971 -3.994 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.580 -1.747 -7.065 1.00 15.00 N ATOM 1289 CA LEU A 88 -3.008 -2.035 -7.116 1.00 15.00 C ATOM 1290 C LEU A 88 -3.482 -2.501 -5.747 1.00 15.00 C ATOM 1291 O LEU A 88 -3.264 -3.649 -5.359 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.302 -3.097 -8.178 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.470 -2.560 -9.603 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.423 -1.497 -9.905 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.384 -3.696 -10.611 1.00 15.00 C ATOM 0 H LEU A 88 -0.981 -2.569 -7.135 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.546 -1.127 -7.388 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.492 -3.827 -8.174 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.211 -3.628 -7.897 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.455 -2.100 -9.683 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.561 -1.129 -10.922 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.531 -0.670 -9.203 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.427 -1.929 -9.807 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.505 -3.298 -11.619 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.413 -4.184 -10.528 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -4.172 -4.421 -10.410 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.104 -1.593 -5.007 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.580 -1.899 -3.663 1.00 15.00 C ATOM 1309 C LEU A 89 -6.094 -2.066 -3.617 1.00 15.00 C ATOM 1310 O LEU A 89 -6.750 -2.263 -4.640 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.177 -0.792 -2.686 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.168 0.214 -3.213 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.149 1.442 -2.327 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.796 -0.420 -3.281 1.00 15.00 C ATOM 0 H LEU A 89 -4.291 -0.638 -5.314 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.117 -2.842 -3.373 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.076 -0.254 -2.384 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.766 -1.256 -1.789 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.457 0.520 -4.218 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.423 2.158 -2.713 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.139 1.899 -2.317 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.872 1.155 -1.313 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.078 0.307 -3.660 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.495 -0.743 -2.284 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.826 -1.282 -3.948 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.631 -1.962 -2.406 1.00 15.00 N ATOM 1327 CA GLU A 90 -8.064 -2.072 -2.175 1.00 15.00 C ATOM 1328 C GLU A 90 -8.501 -1.024 -1.153 1.00 15.00 C ATOM 1329 O GLU A 90 -7.773 -0.731 -0.204 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.421 -3.488 -1.701 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.489 -3.541 -0.616 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.838 -4.959 -0.210 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -10.059 -5.797 -1.110 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -9.890 -5.233 1.008 1.00 15.00 O ATOM 0 H GLU A 90 -6.085 -1.799 -1.560 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.595 -1.889 -3.109 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.762 -4.069 -2.558 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.518 -3.971 -1.328 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.140 -2.992 0.259 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.388 -3.037 -0.971 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.683 -0.454 -1.357 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.201 0.569 -0.456 1.00 15.00 C ATOM 1343 C LYS A 91 -10.221 0.076 0.986 1.00 15.00 C ATOM 1344 O LYS A 91 -11.061 -0.741 1.365 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.604 0.994 -0.886 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.078 2.279 -0.226 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.179 3.454 -0.577 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.111 3.677 -2.079 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.458 3.923 -2.666 1.00 15.00 N ATOM 0 H LYS A 91 -10.300 -0.682 -2.137 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.536 1.431 -0.510 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.620 1.124 -1.968 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.306 0.194 -0.650 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.099 2.495 -0.541 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.099 2.147 0.856 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.552 4.356 -0.091 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.176 3.274 -0.189 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.462 4.527 -2.291 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.661 2.806 -2.555 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.355 4.236 -3.652 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -13.015 3.045 -2.638 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.946 4.660 -2.118 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.289 0.582 1.786 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.209 0.190 3.180 1.00 15.00 C ATOM 1365 C GLY A 92 -10.335 0.774 4.011 1.00 15.00 C ATOM 1366 O GLY A 92 -10.101 1.608 4.885 1.00 15.00 O ATOM 0 H GLY A 92 -8.585 1.259 1.492 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.235 -0.897 3.251 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.253 0.513 3.591 1.00 15.00 H new