USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 653 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 5 TYR OH : rot 117:sc= -0.705 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.401 X(o=0.4,f=-0.032) USER MOD Single : A 8 THR OG1 : rot -9:sc= 0.674 USER MOD Single : A 16 SER OG : rot 180:sc= 0.123 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.734 K(o=0.73,f=-7.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0.248 K(o=0.25,f=-7.4!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.3!) USER MOD Single : A 37 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 46 LYS NZ :NH3+ 177:sc= 1.02 (180deg=1.02) USER MOD Single : A 52 TYR OH : rot -120:sc= -0.454 USER MOD Single : A 56 SER OG : rot -17:sc= 0.973 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -30:sc= 0.00596 USER MOD Single : A 92 TYR OH : rot 30:sc= -0.397 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc=-0.00034 X(o=-0.00034,f=-0.11) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 4 7.084 3.229 -4.597 1.00 0.00 N ATOM 50 CA ASP A 4 7.469 4.563 -5.046 1.00 0.00 C ATOM 51 C ASP A 4 7.883 4.552 -6.512 1.00 0.00 C ATOM 52 O ASP A 4 8.894 3.952 -6.877 1.00 0.00 O ATOM 53 CB ASP A 4 8.615 5.106 -4.190 1.00 0.00 C ATOM 54 CG ASP A 4 8.998 6.535 -4.551 1.00 0.00 C ATOM 55 OD1 ASP A 4 8.643 6.973 -5.620 1.00 0.00 O ATOM 56 OD2 ASP A 4 9.641 7.176 -3.754 1.00 0.00 O1- ATOM 0 HA ASP A 4 6.601 5.213 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.327 5.067 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 4 9.486 4.461 -4.306 1.00 0.00 H new ATOM 61 N TYR A 5 7.096 5.219 -7.348 1.00 0.00 N ATOM 62 CA TYR A 5 7.315 5.198 -8.790 1.00 0.00 C ATOM 63 C TYR A 5 8.747 5.588 -9.133 1.00 0.00 C ATOM 64 O TYR A 5 9.367 4.996 -10.017 1.00 0.00 O ATOM 65 CB TYR A 5 6.328 6.129 -9.496 1.00 0.00 C ATOM 66 CG TYR A 5 4.888 5.676 -9.399 1.00 0.00 C ATOM 67 CD1 TYR A 5 4.571 4.509 -8.720 1.00 0.00 C ATOM 68 CD2 TYR A 5 3.884 6.430 -9.988 1.00 0.00 C ATOM 69 CE1 TYR A 5 3.256 4.095 -8.632 1.00 0.00 C ATOM 70 CE2 TYR A 5 2.568 6.017 -9.901 1.00 0.00 C ATOM 71 CZ TYR A 5 2.253 4.855 -9.225 1.00 0.00 C ATOM 72 OH TYR A 5 0.943 4.443 -9.137 1.00 0.00 O ATOM 0 H TYR A 5 6.299 5.782 -7.052 1.00 0.00 H new ATOM 0 HA TYR A 5 7.147 4.179 -9.140 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.415 7.128 -9.068 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.605 6.207 -10.547 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.353 3.923 -8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.131 7.340 -10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.008 3.185 -8.105 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.786 6.603 -10.362 1.00 0.00 H new ATOM 0 HH TYR A 5 0.424 5.108 -8.639 1.00 0.00 H new ATOM 82 N TYR A 6 9.268 6.588 -8.431 1.00 0.00 N ATOM 83 CA TYR A 6 10.593 7.122 -8.723 1.00 0.00 C ATOM 84 C TYR A 6 11.682 6.123 -8.353 1.00 0.00 C ATOM 85 O TYR A 6 12.729 6.064 -8.999 1.00 0.00 O ATOM 86 CB TYR A 6 10.812 8.444 -7.984 1.00 0.00 C ATOM 87 CG TYR A 6 9.836 9.531 -8.377 1.00 0.00 C ATOM 88 CD1 TYR A 6 8.752 9.817 -7.562 1.00 0.00 C ATOM 89 CD2 TYR A 6 10.027 10.243 -9.552 1.00 0.00 C ATOM 90 CE1 TYR A 6 7.860 10.810 -7.920 1.00 0.00 C ATOM 91 CE2 TYR A 6 9.136 11.236 -9.911 1.00 0.00 C ATOM 92 CZ TYR A 6 8.057 11.520 -9.100 1.00 0.00 C ATOM 93 OH TYR A 6 7.169 12.509 -9.457 1.00 0.00 O ATOM 0 H TYR A 6 8.792 7.046 -7.654 1.00 0.00 H new ATOM 0 HA TYR A 6 10.652 7.305 -9.796 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.733 8.268 -6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 6 11.827 8.793 -8.175 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.604 9.263 -6.646 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.872 10.021 -10.186 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.014 11.034 -7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.284 11.790 -10.826 1.00 0.00 H new ATOM 0 HH TYR A 6 7.449 12.909 -10.307 1.00 0.00 H new ATOM 103 N GLN A 7 11.430 5.340 -7.310 1.00 0.00 N ATOM 104 CA GLN A 7 12.361 4.299 -6.890 1.00 0.00 C ATOM 105 C GLN A 7 12.278 3.084 -7.805 1.00 0.00 C ATOM 106 O GLN A 7 13.225 2.305 -7.907 1.00 0.00 O ATOM 107 CB GLN A 7 12.085 3.884 -5.443 1.00 0.00 C ATOM 108 CG GLN A 7 12.395 4.959 -4.416 1.00 0.00 C ATOM 109 CD GLN A 7 12.156 4.488 -2.994 1.00 0.00 C ATOM 110 OE1 GLN A 7 12.663 3.443 -2.578 1.00 0.00 O ATOM 111 NE2 GLN A 7 11.381 5.258 -2.240 1.00 0.00 N ATOM 0 H GLN A 7 10.587 5.407 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 7 13.369 4.709 -6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.036 3.602 -5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.675 2.997 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.434 5.270 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.778 5.835 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.983 6.114 -2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.184 4.994 -1.275 1.00 0.00 H new ATOM 120 N THR A 8 11.138 2.928 -8.470 1.00 0.00 N ATOM 121 CA THR A 8 10.967 1.870 -9.458 1.00 0.00 C ATOM 122 C THR A 8 11.487 2.300 -10.823 1.00 0.00 C ATOM 123 O THR A 8 11.855 1.466 -11.649 1.00 0.00 O ATOM 124 CB THR A 8 9.488 1.456 -9.575 1.00 0.00 C ATOM 125 OG1 THR A 8 8.705 2.581 -9.996 1.00 0.00 O ATOM 126 CG2 THR A 8 8.968 0.951 -8.238 1.00 0.00 C ATOM 0 H THR A 8 10.318 3.522 -8.342 1.00 0.00 H new ATOM 0 HA THR A 8 11.548 1.013 -9.117 1.00 0.00 H new ATOM 0 HB THR A 8 9.408 0.655 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.259 3.389 -9.980 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.922 0.663 -8.340 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.553 0.087 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.056 1.741 -7.492 1.00 0.00 H new ATOM 134 N LEU A 9 11.516 3.609 -11.054 1.00 0.00 N ATOM 135 CA LEU A 9 12.233 4.171 -12.193 1.00 0.00 C ATOM 136 C LEU A 9 13.736 4.177 -11.947 1.00 0.00 C ATOM 137 O LEU A 9 14.527 4.001 -12.875 1.00 0.00 O ATOM 138 CB LEU A 9 11.748 5.599 -12.472 1.00 0.00 C ATOM 139 CG LEU A 9 10.313 5.724 -12.999 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.890 7.186 -12.981 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.239 5.150 -14.407 1.00 0.00 C ATOM 0 H LEU A 9 11.051 4.301 -10.467 1.00 0.00 H new ATOM 0 HA LEU A 9 12.029 3.544 -13.061 1.00 0.00 H new ATOM 0 HB2 LEU A 9 11.829 6.177 -11.551 1.00 0.00 H new ATOM 0 HB3 LEU A 9 12.422 6.057 -13.196 1.00 0.00 H new ATOM 0 HG LEU A 9 9.631 5.162 -12.361 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.870 7.274 -13.356 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.936 7.565 -11.960 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.561 7.767 -13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.220 5.238 -14.783 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.916 5.701 -15.060 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.529 4.099 -14.387 1.00 0.00 H new ATOM 153 N GLY A 10 14.126 4.380 -10.694 1.00 0.00 N ATOM 154 CA GLY A 10 15.534 4.374 -10.319 1.00 0.00 C ATOM 155 C GLY A 10 16.135 5.771 -10.414 1.00 0.00 C ATOM 156 O GLY A 10 17.212 5.957 -10.978 1.00 0.00 O ATOM 0 H GLY A 10 13.485 4.551 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.641 3.998 -9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.084 3.694 -10.970 1.00 0.00 H new ATOM 160 N LEU A 11 15.430 6.751 -9.857 1.00 0.00 N ATOM 161 CA LEU A 11 15.906 8.129 -9.853 1.00 0.00 C ATOM 162 C LEU A 11 15.237 8.940 -8.751 1.00 0.00 C ATOM 163 O LEU A 11 14.390 8.429 -8.019 1.00 0.00 O ATOM 164 CB LEU A 11 15.638 8.786 -11.214 1.00 0.00 C ATOM 165 CG LEU A 11 14.231 8.575 -11.788 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.192 8.960 -10.743 1.00 0.00 C ATOM 167 CD2 LEU A 11 14.069 9.408 -13.053 1.00 0.00 C ATOM 0 H LEU A 11 14.527 6.616 -9.403 1.00 0.00 H new ATOM 0 HA LEU A 11 16.979 8.111 -9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.816 9.857 -11.121 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.364 8.403 -11.931 1.00 0.00 H new ATOM 0 HG LEU A 11 14.087 7.526 -12.045 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.193 8.810 -11.151 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.319 8.338 -9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.320 10.008 -10.472 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.070 9.259 -13.461 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.210 10.462 -12.815 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.812 9.100 -13.789 1.00 0.00 H new ATOM 179 N ALA A 12 15.622 10.207 -8.638 1.00 0.00 N ATOM 180 CA ALA A 12 15.167 11.051 -7.539 1.00 0.00 C ATOM 181 C ALA A 12 13.735 11.518 -7.760 1.00 0.00 C ATOM 182 O ALA A 12 13.299 11.700 -8.896 1.00 0.00 O ATOM 183 CB ALA A 12 16.094 12.247 -7.372 1.00 0.00 C ATOM 0 H ALA A 12 16.249 10.672 -9.295 1.00 0.00 H new ATOM 0 HA ALA A 12 15.190 10.456 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.742 12.868 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 12 17.104 11.897 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.101 12.833 -8.291 1.00 0.00 H new ATOM 189 N ARG A 13 13.005 11.708 -6.665 1.00 0.00 N ATOM 190 CA ARG A 13 11.618 12.150 -6.737 1.00 0.00 C ATOM 191 C ARG A 13 11.511 13.528 -7.377 1.00 0.00 C ATOM 192 O ARG A 13 10.432 13.948 -7.796 1.00 0.00 O ATOM 193 CB ARG A 13 10.996 12.191 -5.348 1.00 0.00 C ATOM 194 CG ARG A 13 10.782 10.830 -4.704 1.00 0.00 C ATOM 195 CD ARG A 13 10.247 10.954 -3.324 1.00 0.00 C ATOM 196 NE ARG A 13 9.968 9.655 -2.732 1.00 0.00 N ATOM 197 CZ ARG A 13 9.735 9.447 -1.422 1.00 0.00 C ATOM 198 NH1 ARG A 13 9.752 10.457 -0.581 1.00 0.00 N1+ ATOM 199 NH2 ARG A 13 9.490 8.225 -0.981 1.00 0.00 N ATOM 0 H ARG A 13 13.352 11.562 -5.717 1.00 0.00 H new ATOM 0 HA ARG A 13 11.078 11.433 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.634 12.789 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.036 12.703 -5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.091 10.245 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.726 10.286 -4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.965 11.489 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.334 11.549 -3.341 1.00 0.00 H new ATOM 0 HE ARG A 13 9.947 8.845 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.942 11.400 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.575 10.298 0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.478 7.441 -1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.313 8.067 0.011 1.00 0.00 H new ATOM 213 N GLY A 14 12.638 14.229 -7.451 1.00 0.00 N ATOM 214 CA GLY A 14 12.661 15.587 -7.982 1.00 0.00 C ATOM 215 C GLY A 14 13.304 15.628 -9.363 1.00 0.00 C ATOM 216 O GLY A 14 13.764 16.677 -9.813 1.00 0.00 O ATOM 0 H GLY A 14 13.547 13.879 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.644 15.975 -8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.212 16.237 -7.302 1.00 0.00 H new ATOM 220 N ALA A 15 13.333 14.479 -10.030 1.00 0.00 N ATOM 221 CA ALA A 15 13.929 14.378 -11.357 1.00 0.00 C ATOM 222 C ALA A 15 13.069 15.078 -12.402 1.00 0.00 C ATOM 223 O ALA A 15 11.973 15.552 -12.102 1.00 0.00 O ATOM 224 CB ALA A 15 14.138 12.920 -11.735 1.00 0.00 C ATOM 0 H ALA A 15 12.950 13.604 -9.673 1.00 0.00 H new ATOM 0 HA ALA A 15 14.898 14.877 -11.329 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.584 12.862 -12.728 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.802 12.448 -11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.178 12.403 -11.737 1.00 0.00 H new ATOM 230 N SER A 16 13.574 15.141 -13.629 1.00 0.00 N ATOM 231 CA SER A 16 12.880 15.837 -14.708 1.00 0.00 C ATOM 232 C SER A 16 12.118 14.860 -15.593 1.00 0.00 C ATOM 233 O SER A 16 12.374 13.656 -15.570 1.00 0.00 O ATOM 234 CB SER A 16 13.872 16.622 -15.543 1.00 0.00 C ATOM 235 OG SER A 16 14.721 15.763 -16.255 1.00 0.00 O ATOM 0 H SER A 16 14.461 14.719 -13.902 1.00 0.00 H new ATOM 0 HA SER A 16 12.161 16.523 -14.259 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.336 17.268 -16.238 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.464 17.270 -14.897 1.00 0.00 H new ATOM 0 HG SER A 16 15.351 16.293 -16.787 1.00 0.00 H new ATOM 241 N ASP A 17 11.179 15.385 -16.372 1.00 0.00 N ATOM 242 CA ASP A 17 10.408 14.567 -17.302 1.00 0.00 C ATOM 243 C ASP A 17 11.323 13.774 -18.225 1.00 0.00 C ATOM 244 O ASP A 17 11.073 12.602 -18.505 1.00 0.00 O ATOM 245 CB ASP A 17 9.468 15.443 -18.134 1.00 0.00 C ATOM 246 CG ASP A 17 8.296 15.986 -17.329 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.082 15.516 -16.237 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.625 16.865 -17.813 1.00 0.00 O1- ATOM 0 H ASP A 17 10.933 16.375 -16.378 1.00 0.00 H new ATOM 0 HA ASP A 17 9.817 13.865 -16.714 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.032 16.277 -18.552 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.087 14.862 -18.974 1.00 0.00 H new ATOM 253 N GLU A 18 12.385 14.419 -18.696 1.00 0.00 N ATOM 254 CA GLU A 18 13.355 13.766 -19.567 1.00 0.00 C ATOM 255 C GLU A 18 14.051 12.616 -18.851 1.00 0.00 C ATOM 256 O GLU A 18 14.184 11.521 -19.397 1.00 0.00 O ATOM 257 CB GLU A 18 14.392 14.775 -20.062 1.00 0.00 C ATOM 258 CG GLU A 18 15.455 14.186 -20.979 1.00 0.00 C ATOM 259 CD GLU A 18 16.446 15.209 -21.458 1.00 0.00 C ATOM 260 OE1 GLU A 18 16.208 16.377 -21.262 1.00 0.00 O ATOM 261 OE2 GLU A 18 17.443 14.824 -22.022 1.00 0.00 O1- ATOM 0 H GLU A 18 12.596 15.395 -18.489 1.00 0.00 H new ATOM 0 HA GLU A 18 12.815 13.361 -20.422 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.877 15.577 -20.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.883 15.226 -19.200 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.985 13.394 -20.450 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.970 13.726 -21.840 1.00 0.00 H new ATOM 268 N GLU A 19 14.494 12.871 -17.625 1.00 0.00 N ATOM 269 CA GLU A 19 15.162 11.852 -16.824 1.00 0.00 C ATOM 270 C GLU A 19 14.222 10.696 -16.509 1.00 0.00 C ATOM 271 O GLU A 19 14.639 9.538 -16.466 1.00 0.00 O ATOM 272 CB GLU A 19 15.694 12.459 -15.524 1.00 0.00 C ATOM 273 CG GLU A 19 16.893 13.380 -15.704 1.00 0.00 C ATOM 274 CD GLU A 19 17.266 14.108 -14.443 1.00 0.00 C ATOM 275 OE1 GLU A 19 16.381 14.473 -13.706 1.00 0.00 O ATOM 276 OE2 GLU A 19 18.437 14.300 -14.215 1.00 0.00 O1- ATOM 0 H GLU A 19 14.402 13.776 -17.164 1.00 0.00 H new ATOM 0 HA GLU A 19 15.998 11.465 -17.407 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.891 13.018 -15.043 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.970 11.651 -14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.747 12.794 -16.045 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.672 14.107 -16.485 1.00 0.00 H new ATOM 283 N ILE A 20 12.951 11.016 -16.288 1.00 0.00 N ATOM 284 CA ILE A 20 11.929 9.998 -16.082 1.00 0.00 C ATOM 285 C ILE A 20 11.783 9.107 -17.310 1.00 0.00 C ATOM 286 O ILE A 20 11.597 7.897 -17.192 1.00 0.00 O ATOM 287 CB ILE A 20 10.571 10.643 -15.752 1.00 0.00 C ATOM 288 CG1 ILE A 20 10.598 11.255 -14.350 1.00 0.00 C ATOM 289 CG2 ILE A 20 9.453 9.617 -15.866 1.00 0.00 C ATOM 290 CD1 ILE A 20 9.419 12.154 -14.053 1.00 0.00 C ATOM 0 H ILE A 20 12.604 11.974 -16.247 1.00 0.00 H new ATOM 0 HA ILE A 20 12.247 9.385 -15.239 1.00 0.00 H new ATOM 0 HB ILE A 20 10.381 11.439 -16.472 1.00 0.00 H new ATOM 0 HG12 ILE A 20 10.625 10.452 -13.614 1.00 0.00 H new ATOM 0 HG13 ILE A 20 11.518 11.827 -14.231 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.500 10.090 -15.629 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.421 9.225 -16.883 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.636 8.800 -15.168 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.509 12.550 -13.041 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.402 12.979 -14.765 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.495 11.582 -14.138 1.00 0.00 H new ATOM 302 N LYS A 21 11.871 9.714 -18.488 1.00 0.00 N ATOM 303 CA LYS A 21 11.789 8.971 -19.740 1.00 0.00 C ATOM 304 C LYS A 21 13.004 8.073 -19.929 1.00 0.00 C ATOM 305 O LYS A 21 12.872 6.901 -20.282 1.00 0.00 O ATOM 306 CB LYS A 21 11.655 9.931 -20.925 1.00 0.00 C ATOM 307 CG LYS A 21 10.306 10.631 -21.018 1.00 0.00 C ATOM 308 CD LYS A 21 10.271 11.609 -22.183 1.00 0.00 C ATOM 309 CE LYS A 21 8.929 12.321 -22.269 1.00 0.00 C ATOM 310 NZ LYS A 21 8.892 13.306 -23.383 1.00 0.00 N1+ ATOM 0 H LYS A 21 11.999 10.719 -18.602 1.00 0.00 H new ATOM 0 HA LYS A 21 10.902 8.339 -19.694 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.438 10.686 -20.856 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.827 9.376 -21.847 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.516 9.889 -21.139 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.104 11.162 -20.088 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.068 12.344 -22.067 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.462 11.075 -23.114 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.137 11.586 -22.409 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.728 12.831 -21.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.961 13.769 -23.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.631 14.023 -23.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.058 12.816 -24.285 1.00 0.00 H new ATOM 324 N ARG A 22 14.187 8.629 -19.692 1.00 0.00 N ATOM 325 CA ARG A 22 15.428 7.873 -19.818 1.00 0.00 C ATOM 326 C ARG A 22 15.505 6.762 -18.779 1.00 0.00 C ATOM 327 O ARG A 22 15.759 5.605 -19.109 1.00 0.00 O ATOM 328 CB ARG A 22 16.632 8.791 -19.665 1.00 0.00 C ATOM 329 CG ARG A 22 16.821 9.791 -20.795 1.00 0.00 C ATOM 330 CD ARG A 22 18.000 10.665 -20.563 1.00 0.00 C ATOM 331 NE ARG A 22 18.097 11.719 -21.559 1.00 0.00 N ATOM 332 CZ ARG A 22 18.656 11.571 -22.777 1.00 0.00 C ATOM 333 NH1 ARG A 22 19.159 10.411 -23.133 1.00 0.00 N1+ ATOM 334 NH2 ARG A 22 18.696 12.593 -23.614 1.00 0.00 N ATOM 0 H ARG A 22 14.313 9.601 -19.411 1.00 0.00 H new ATOM 0 HA ARG A 22 15.438 7.425 -20.812 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.537 9.338 -18.727 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.530 8.179 -19.587 1.00 0.00 H new ATOM 0 HG2 ARG A 22 16.944 9.257 -21.737 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.926 10.405 -20.891 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.933 11.109 -19.570 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.908 10.062 -20.582 1.00 0.00 H new ATOM 0 HE ARG A 22 17.716 12.634 -21.320 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.127 9.622 -22.488 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.582 10.300 -24.055 1.00 0.00 H new ATOM 0 HH21 ARG A 22 18.304 13.493 -23.338 1.00 0.00 H new ATOM 0 HH22 ARG A 22 19.119 12.481 -24.535 1.00 0.00 H new ATOM 348 N ALA A 23 15.282 7.122 -17.519 1.00 0.00 N ATOM 349 CA ALA A 23 15.205 6.139 -16.444 1.00 0.00 C ATOM 350 C ALA A 23 14.218 5.030 -16.781 1.00 0.00 C ATOM 351 O ALA A 23 14.486 3.853 -16.540 1.00 0.00 O ATOM 352 CB ALA A 23 14.816 6.814 -15.136 1.00 0.00 C ATOM 0 H ALA A 23 15.151 8.088 -17.217 1.00 0.00 H new ATOM 0 HA ALA A 23 16.191 5.689 -16.329 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.763 6.068 -14.343 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.563 7.565 -14.878 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.844 7.293 -15.249 1.00 0.00 H new ATOM 358 N TYR A 24 13.075 5.412 -17.342 1.00 0.00 N ATOM 359 CA TYR A 24 12.058 4.448 -17.741 1.00 0.00 C ATOM 360 C TYR A 24 12.569 3.532 -18.846 1.00 0.00 C ATOM 361 O TYR A 24 12.316 2.327 -18.833 1.00 0.00 O ATOM 362 CB TYR A 24 10.786 5.168 -18.195 1.00 0.00 C ATOM 363 CG TYR A 24 9.712 4.240 -18.718 1.00 0.00 C ATOM 364 CD1 TYR A 24 9.160 3.278 -17.884 1.00 0.00 C ATOM 365 CD2 TYR A 24 9.279 4.350 -20.031 1.00 0.00 C ATOM 366 CE1 TYR A 24 8.179 2.430 -18.361 1.00 0.00 C ATOM 367 CE2 TYR A 24 8.299 3.502 -20.508 1.00 0.00 C ATOM 368 CZ TYR A 24 7.749 2.546 -19.678 1.00 0.00 C ATOM 369 OH TYR A 24 6.772 1.702 -20.153 1.00 0.00 O ATOM 0 H TYR A 24 12.831 6.384 -17.530 1.00 0.00 H new ATOM 0 HA TYR A 24 11.823 3.832 -16.873 1.00 0.00 H new ATOM 0 HB2 TYR A 24 10.384 5.738 -17.357 1.00 0.00 H new ATOM 0 HB3 TYR A 24 11.044 5.885 -18.974 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.497 3.192 -16.862 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.708 5.099 -20.680 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.748 1.680 -17.714 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.963 3.587 -21.531 1.00 0.00 H new ATOM 0 HH TYR A 24 6.584 1.914 -21.091 1.00 0.00 H new ATOM 379 N ARG A 25 13.290 4.111 -19.800 1.00 0.00 N ATOM 380 CA ARG A 25 13.889 3.338 -20.882 1.00 0.00 C ATOM 381 C ARG A 25 14.781 2.229 -20.340 1.00 0.00 C ATOM 382 O ARG A 25 14.661 1.072 -20.741 1.00 0.00 O ATOM 383 CB ARG A 25 14.704 4.240 -21.796 1.00 0.00 C ATOM 384 CG ARG A 25 15.349 3.537 -22.980 1.00 0.00 C ATOM 385 CD ARG A 25 16.501 4.307 -23.515 1.00 0.00 C ATOM 386 NE ARG A 25 17.619 4.324 -22.586 1.00 0.00 N ATOM 387 CZ ARG A 25 18.769 4.998 -22.785 1.00 0.00 C ATOM 388 NH1 ARG A 25 18.936 5.703 -23.881 1.00 0.00 N1+ ATOM 389 NH2 ARG A 25 19.728 4.949 -21.876 1.00 0.00 N ATOM 0 H ARG A 25 13.474 5.113 -19.846 1.00 0.00 H new ATOM 0 HA ARG A 25 13.076 2.886 -21.450 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.057 5.033 -22.171 1.00 0.00 H new ATOM 0 HB3 ARG A 25 15.486 4.719 -21.207 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.684 2.545 -22.676 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.608 3.396 -23.767 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.822 3.871 -24.461 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.188 5.330 -23.725 1.00 0.00 H new ATOM 0 HE ARG A 25 17.527 3.788 -21.723 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.195 5.740 -24.581 1.00 0.00 H new ATOM 0 HH12 ARG A 25 19.806 6.213 -24.032 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.597 4.402 -21.025 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.599 5.459 -22.025 1.00 0.00 H new ATOM 403 N ARG A 26 15.675 2.590 -19.426 1.00 0.00 N ATOM 404 CA ARG A 26 16.545 1.615 -18.779 1.00 0.00 C ATOM 405 C ARG A 26 15.740 0.465 -18.188 1.00 0.00 C ATOM 406 O ARG A 26 16.095 -0.702 -18.351 1.00 0.00 O ATOM 407 CB ARG A 26 17.363 2.275 -17.679 1.00 0.00 C ATOM 408 CG ARG A 26 18.232 1.325 -16.871 1.00 0.00 C ATOM 409 CD ARG A 26 18.950 2.032 -15.779 1.00 0.00 C ATOM 410 NE ARG A 26 18.032 2.661 -14.844 1.00 0.00 N ATOM 411 CZ ARG A 26 18.386 3.580 -13.925 1.00 0.00 C ATOM 412 NH1 ARG A 26 19.639 3.965 -13.830 1.00 0.00 N1+ ATOM 413 NH2 ARG A 26 17.474 4.094 -13.119 1.00 0.00 N ATOM 0 H ARG A 26 15.816 3.552 -19.116 1.00 0.00 H new ATOM 0 HA ARG A 26 17.216 1.218 -19.541 1.00 0.00 H new ATOM 0 HB2 ARG A 26 18.002 3.036 -18.128 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.683 2.790 -17.000 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.611 0.535 -16.447 1.00 0.00 H new ATOM 0 HG3 ARG A 26 18.955 0.843 -17.530 1.00 0.00 H new ATOM 0 HD2 ARG A 26 19.584 1.325 -15.245 1.00 0.00 H new ATOM 0 HD3 ARG A 26 19.607 2.789 -16.207 1.00 0.00 H new ATOM 0 HE ARG A 26 17.050 2.387 -14.887 1.00 0.00 H new ATOM 0 HH11 ARG A 26 20.343 3.568 -14.452 1.00 0.00 H new ATOM 0 HH12 ARG A 26 19.907 4.661 -13.134 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.502 3.795 -13.193 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.742 4.790 -12.423 1.00 0.00 H new ATOM 427 N GLN A 27 14.654 0.801 -17.501 1.00 0.00 N ATOM 428 CA GLN A 27 13.867 -0.191 -16.778 1.00 0.00 C ATOM 429 C GLN A 27 13.050 -1.050 -17.733 1.00 0.00 C ATOM 430 O GLN A 27 12.968 -2.268 -17.573 1.00 0.00 O ATOM 431 CB GLN A 27 12.941 0.492 -15.768 1.00 0.00 C ATOM 432 CG GLN A 27 13.666 1.175 -14.620 1.00 0.00 C ATOM 433 CD GLN A 27 14.547 0.216 -13.841 1.00 0.00 C ATOM 434 OE1 GLN A 27 15.565 -0.263 -14.348 1.00 0.00 O ATOM 435 NE2 GLN A 27 14.160 -0.068 -12.603 1.00 0.00 N ATOM 0 H GLN A 27 14.298 1.754 -17.430 1.00 0.00 H new ATOM 0 HA GLN A 27 14.561 -0.839 -16.243 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.334 1.231 -16.291 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.256 -0.251 -15.360 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.277 1.988 -15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.935 1.621 -13.946 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.311 0.352 -12.225 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.712 -0.706 -12.030 1.00 0.00 H new ATOM 444 N ALA A 28 12.447 -0.410 -18.729 1.00 0.00 N ATOM 445 CA ALA A 28 11.699 -1.124 -19.757 1.00 0.00 C ATOM 446 C ALA A 28 12.613 -2.030 -20.574 1.00 0.00 C ATOM 447 O ALA A 28 12.211 -3.115 -20.994 1.00 0.00 O ATOM 448 CB ALA A 28 10.981 -0.140 -20.669 1.00 0.00 C ATOM 0 H ALA A 28 12.462 0.603 -18.846 1.00 0.00 H new ATOM 0 HA ALA A 28 10.958 -1.750 -19.260 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.427 -0.688 -21.431 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.289 0.463 -20.081 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.712 0.511 -21.149 1.00 0.00 H new ATOM 454 N LEU A 29 13.843 -1.580 -20.792 1.00 0.00 N ATOM 455 CA LEU A 29 14.878 -2.428 -21.371 1.00 0.00 C ATOM 456 C LEU A 29 15.242 -3.571 -20.433 1.00 0.00 C ATOM 457 O LEU A 29 15.480 -4.696 -20.872 1.00 0.00 O ATOM 458 CB LEU A 29 16.129 -1.598 -21.686 1.00 0.00 C ATOM 459 CG LEU A 29 15.991 -0.599 -22.842 1.00 0.00 C ATOM 460 CD1 LEU A 29 17.237 0.275 -22.909 1.00 0.00 C ATOM 461 CD2 LEU A 29 15.783 -1.356 -24.146 1.00 0.00 C ATOM 0 H LEU A 29 14.148 -0.631 -20.576 1.00 0.00 H new ATOM 0 HA LEU A 29 14.484 -2.853 -22.294 1.00 0.00 H new ATOM 0 HB2 LEU A 29 16.414 -1.050 -20.788 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.947 -2.281 -21.916 1.00 0.00 H new ATOM 0 HG LEU A 29 15.127 0.045 -22.677 1.00 0.00 H new ATOM 0 HD11 LEU A 29 17.140 0.985 -23.730 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.351 0.818 -21.971 1.00 0.00 H new ATOM 0 HD13 LEU A 29 18.113 -0.352 -23.074 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.685 -0.646 -24.967 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.638 -2.007 -24.329 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.877 -1.958 -24.077 1.00 0.00 H new ATOM 473 N ARG A 30 15.285 -3.276 -19.138 1.00 0.00 N ATOM 474 CA ARG A 30 15.631 -4.276 -18.136 1.00 0.00 C ATOM 475 C ARG A 30 14.644 -5.437 -18.150 1.00 0.00 C ATOM 476 O ARG A 30 15.032 -6.596 -18.006 1.00 0.00 O ATOM 477 CB ARG A 30 15.659 -3.655 -16.747 1.00 0.00 C ATOM 478 CG ARG A 30 16.189 -4.565 -15.649 1.00 0.00 C ATOM 479 CD ARG A 30 16.141 -3.905 -14.320 1.00 0.00 C ATOM 480 NE ARG A 30 16.967 -2.709 -14.277 1.00 0.00 N ATOM 481 CZ ARG A 30 18.303 -2.708 -14.104 1.00 0.00 C ATOM 482 NH1 ARG A 30 18.949 -3.844 -13.960 1.00 0.00 N1+ ATOM 483 NH2 ARG A 30 18.965 -1.564 -14.080 1.00 0.00 N ATOM 0 H ARG A 30 15.084 -2.351 -18.758 1.00 0.00 H new ATOM 0 HA ARG A 30 16.622 -4.656 -18.383 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.272 -2.754 -16.780 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.648 -3.343 -16.484 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.601 -5.483 -15.621 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.216 -4.851 -15.877 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.110 -3.643 -14.082 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.476 -4.605 -13.555 1.00 0.00 H new ATOM 0 HE ARG A 30 16.502 -1.808 -14.385 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.439 -4.727 -13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.961 -3.842 -13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.464 -0.683 -14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.977 -1.563 -13.949 1.00 0.00 H new ATOM 497 N TYR A 31 13.367 -5.117 -18.324 1.00 0.00 N ATOM 498 CA TYR A 31 12.311 -6.121 -18.269 1.00 0.00 C ATOM 499 C TYR A 31 11.730 -6.388 -19.652 1.00 0.00 C ATOM 500 O TYR A 31 10.736 -7.098 -19.791 1.00 0.00 O ATOM 501 CB TYR A 31 11.206 -5.684 -17.305 1.00 0.00 C ATOM 502 CG TYR A 31 11.650 -5.608 -15.861 1.00 0.00 C ATOM 503 CD1 TYR A 31 12.028 -4.390 -15.315 1.00 0.00 C ATOM 504 CD2 TYR A 31 11.680 -6.756 -15.084 1.00 0.00 C ATOM 505 CE1 TYR A 31 12.434 -4.321 -13.996 1.00 0.00 C ATOM 506 CE2 TYR A 31 12.085 -6.687 -13.765 1.00 0.00 C ATOM 507 CZ TYR A 31 12.461 -5.475 -13.222 1.00 0.00 C ATOM 508 OH TYR A 31 12.865 -5.406 -11.908 1.00 0.00 O ATOM 0 H TYR A 31 13.037 -4.169 -18.505 1.00 0.00 H new ATOM 0 HA TYR A 31 12.751 -7.048 -17.903 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.834 -4.707 -17.613 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.372 -6.382 -17.383 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.005 -3.496 -15.921 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.387 -7.704 -15.510 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.729 -3.374 -13.568 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.107 -7.581 -13.159 1.00 0.00 H new ATOM 0 HH TYR A 31 12.826 -6.299 -11.506 1.00 0.00 H new ATOM 518 N HIS A 32 12.358 -5.812 -20.672 1.00 0.00 N ATOM 519 CA HIS A 32 12.046 -6.153 -22.055 1.00 0.00 C ATOM 520 C HIS A 32 12.031 -7.663 -22.260 1.00 0.00 C ATOM 521 O HIS A 32 12.880 -8.380 -21.728 1.00 0.00 O ATOM 522 CB HIS A 32 13.054 -5.512 -23.012 1.00 0.00 C ATOM 523 CG HIS A 32 12.633 -5.556 -24.449 1.00 0.00 C ATOM 524 ND1 HIS A 32 12.759 -6.688 -25.226 1.00 0.00 N ATOM 525 CD2 HIS A 32 12.090 -4.608 -25.248 1.00 0.00 C ATOM 526 CE1 HIS A 32 12.309 -6.435 -26.442 1.00 0.00 C ATOM 527 NE2 HIS A 32 11.899 -5.180 -26.481 1.00 0.00 N ATOM 0 H HIS A 32 13.087 -5.106 -20.566 1.00 0.00 H new ATOM 0 HA HIS A 32 11.052 -5.763 -22.272 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.209 -4.473 -22.720 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.013 -6.019 -22.908 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.852 -3.592 -24.968 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.281 -7.135 -27.264 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.504 -4.711 -27.296 1.00 0.00 H new ATOM 535 N PRO A 33 11.064 -8.140 -23.035 1.00 0.00 N ATOM 536 CA PRO A 33 10.882 -9.573 -23.240 1.00 0.00 C ATOM 537 C PRO A 33 12.180 -10.233 -23.687 1.00 0.00 C ATOM 538 O PRO A 33 12.474 -11.366 -23.307 1.00 0.00 O ATOM 539 CB PRO A 33 9.811 -9.631 -24.333 1.00 0.00 C ATOM 540 CG PRO A 33 8.961 -8.435 -24.078 1.00 0.00 C ATOM 541 CD PRO A 33 9.936 -7.364 -23.667 1.00 0.00 C ATOM 0 HA PRO A 33 10.592 -10.107 -22.335 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.255 -9.599 -25.328 1.00 0.00 H new ATOM 0 HB3 PRO A 33 9.231 -10.552 -24.273 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.405 -8.145 -24.970 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.229 -8.628 -23.294 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.279 -6.783 -24.523 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.488 -6.662 -22.964 1.00 0.00 H new ATOM 549 N ASP A 34 12.953 -9.519 -24.498 1.00 0.00 N ATOM 550 CA ASP A 34 14.183 -10.063 -25.060 1.00 0.00 C ATOM 551 C ASP A 34 15.365 -9.829 -24.129 1.00 0.00 C ATOM 552 O ASP A 34 16.514 -10.079 -24.493 1.00 0.00 O ATOM 553 CB ASP A 34 14.472 -9.436 -26.427 1.00 0.00 C ATOM 554 CG ASP A 34 13.452 -9.830 -27.487 1.00 0.00 C ATOM 555 OD1 ASP A 34 12.828 -10.854 -27.333 1.00 0.00 O ATOM 556 OD2 ASP A 34 13.305 -9.103 -28.440 1.00 0.00 O1- ATOM 0 H ASP A 34 12.749 -8.561 -24.781 1.00 0.00 H new ATOM 0 HA ASP A 34 14.044 -11.137 -25.180 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.485 -8.351 -26.328 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.466 -9.738 -26.757 1.00 0.00 H new ATOM 561 N LYS A 35 15.075 -9.350 -22.924 1.00 0.00 N ATOM 562 CA LYS A 35 16.119 -9.006 -21.965 1.00 0.00 C ATOM 563 C LYS A 35 15.915 -9.737 -20.643 1.00 0.00 C ATOM 564 O LYS A 35 16.880 -10.120 -19.980 1.00 0.00 O ATOM 565 CB LYS A 35 16.154 -7.495 -21.731 1.00 0.00 C ATOM 566 CG LYS A 35 16.521 -6.676 -22.961 1.00 0.00 C ATOM 567 CD LYS A 35 17.939 -6.979 -23.423 1.00 0.00 C ATOM 568 CE LYS A 35 18.340 -6.096 -24.595 1.00 0.00 C ATOM 569 NZ LYS A 35 19.715 -6.399 -25.075 1.00 0.00 N1+ ATOM 0 H LYS A 35 14.125 -9.191 -22.588 1.00 0.00 H new ATOM 0 HA LYS A 35 17.074 -9.321 -22.384 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.176 -7.172 -21.373 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.871 -7.279 -20.939 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.820 -6.892 -23.767 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.429 -5.614 -22.734 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.633 -6.827 -22.596 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.013 -8.027 -23.713 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.632 -6.234 -25.412 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.282 -5.049 -24.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.949 -5.776 -25.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.394 -6.243 -24.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.764 -7.391 -25.384 1.00 0.00 H new ATOM 583 N ASN A 36 14.656 -9.926 -20.266 1.00 0.00 N ATOM 584 CA ASN A 36 14.325 -10.554 -18.992 1.00 0.00 C ATOM 585 C ASN A 36 13.037 -11.361 -19.094 1.00 0.00 C ATOM 586 O ASN A 36 11.977 -10.820 -19.410 1.00 0.00 O ATOM 587 CB ASN A 36 14.215 -9.511 -17.895 1.00 0.00 C ATOM 588 CG ASN A 36 14.000 -10.121 -16.538 1.00 0.00 C ATOM 589 OD1 ASN A 36 13.297 -11.129 -16.401 1.00 0.00 O ATOM 590 ND2 ASN A 36 14.588 -9.528 -15.531 1.00 0.00 N ATOM 0 H ASN A 36 13.847 -9.653 -20.824 1.00 0.00 H new ATOM 0 HA ASN A 36 15.132 -11.241 -18.738 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.123 -8.909 -17.879 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.389 -8.837 -18.121 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.475 -9.895 -14.586 1.00 0.00 H new ATOM 0 HD22 ASN A 36 15.159 -8.698 -15.691 1.00 0.00 H new ATOM 597 N LYS A 37 13.134 -12.659 -18.827 1.00 0.00 N ATOM 598 CA LYS A 37 11.979 -13.545 -18.896 1.00 0.00 C ATOM 599 C LYS A 37 11.763 -14.275 -17.577 1.00 0.00 C ATOM 600 O LYS A 37 12.275 -15.377 -17.376 1.00 0.00 O ATOM 601 CB LYS A 37 12.144 -14.553 -20.035 1.00 0.00 C ATOM 602 CG LYS A 37 12.176 -13.932 -21.425 1.00 0.00 C ATOM 603 CD LYS A 37 12.294 -14.998 -22.504 1.00 0.00 C ATOM 604 CE LYS A 37 12.341 -14.379 -23.893 1.00 0.00 C ATOM 605 NZ LYS A 37 12.444 -15.411 -24.960 1.00 0.00 N1+ ATOM 0 H LYS A 37 14.003 -13.121 -18.560 1.00 0.00 H new ATOM 0 HA LYS A 37 11.100 -12.931 -19.092 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.067 -15.112 -19.879 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.325 -15.271 -19.990 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.270 -13.348 -21.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.017 -13.243 -21.498 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.194 -15.589 -22.337 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.447 -15.681 -22.437 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.445 -13.780 -24.053 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.193 -13.702 -23.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.473 -14.947 -25.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.312 -15.967 -24.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.618 -16.042 -24.914 1.00 0.00 H new ATOM 619 N GLU A 38 11.004 -13.655 -16.679 1.00 0.00 N ATOM 620 CA GLU A 38 10.767 -14.219 -15.357 1.00 0.00 C ATOM 621 C GLU A 38 9.390 -13.831 -14.832 1.00 0.00 C ATOM 622 O GLU A 38 9.006 -12.663 -14.874 1.00 0.00 O ATOM 623 CB GLU A 38 11.846 -13.754 -14.376 1.00 0.00 C ATOM 624 CG GLU A 38 11.704 -14.318 -12.970 1.00 0.00 C ATOM 625 CD GLU A 38 12.802 -13.869 -12.046 1.00 0.00 C ATOM 626 OE1 GLU A 38 13.645 -13.120 -12.476 1.00 0.00 O ATOM 627 OE2 GLU A 38 12.797 -14.277 -10.908 1.00 0.00 O1- ATOM 0 H GLU A 38 10.542 -12.761 -16.844 1.00 0.00 H new ATOM 0 HA GLU A 38 10.808 -15.305 -15.446 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.823 -14.035 -14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.825 -12.666 -14.321 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.742 -14.014 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.700 -15.407 -13.019 1.00 0.00 H new ATOM 634 N PRO A 39 8.652 -14.819 -14.338 1.00 0.00 N ATOM 635 CA PRO A 39 7.332 -14.577 -13.766 1.00 0.00 C ATOM 636 C PRO A 39 7.432 -13.806 -12.457 1.00 0.00 C ATOM 637 O PRO A 39 8.231 -14.146 -11.584 1.00 0.00 O ATOM 638 CB PRO A 39 6.786 -15.992 -13.548 1.00 0.00 C ATOM 639 CG PRO A 39 8.005 -16.830 -13.365 1.00 0.00 C ATOM 640 CD PRO A 39 9.009 -16.243 -14.321 1.00 0.00 C ATOM 0 HA PRO A 39 6.690 -13.968 -14.403 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.136 -16.038 -12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.197 -16.327 -14.401 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.364 -16.790 -12.337 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.805 -17.877 -13.592 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.032 -16.399 -13.979 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.933 -16.690 -15.312 1.00 0.00 H new ATOM 648 N GLY A 40 6.617 -12.764 -12.325 1.00 0.00 N ATOM 649 CA GLY A 40 6.696 -11.870 -11.176 1.00 0.00 C ATOM 650 C GLY A 40 7.473 -10.605 -11.515 1.00 0.00 C ATOM 651 O GLY A 40 7.031 -9.494 -11.219 1.00 0.00 O ATOM 0 H GLY A 40 5.894 -12.518 -13.001 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.691 -11.606 -10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.178 -12.384 -10.344 1.00 0.00 H new ATOM 655 N ALA A 41 8.633 -10.779 -12.139 1.00 0.00 N ATOM 656 CA ALA A 41 9.340 -9.668 -12.766 1.00 0.00 C ATOM 657 C ALA A 41 8.513 -9.050 -13.886 1.00 0.00 C ATOM 658 O ALA A 41 8.507 -7.832 -14.066 1.00 0.00 O ATOM 659 CB ALA A 41 10.689 -10.130 -13.298 1.00 0.00 C ATOM 0 H ALA A 41 9.104 -11.680 -12.224 1.00 0.00 H new ATOM 0 HA ALA A 41 9.504 -8.903 -12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.204 -9.289 -13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.292 -10.515 -12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.539 -10.917 -14.037 1.00 0.00 H new ATOM 665 N GLU A 42 7.816 -9.896 -14.636 1.00 0.00 N ATOM 666 CA GLU A 42 6.825 -9.430 -15.598 1.00 0.00 C ATOM 667 C GLU A 42 5.794 -8.526 -14.933 1.00 0.00 C ATOM 668 O GLU A 42 5.305 -7.575 -15.541 1.00 0.00 O ATOM 669 CB GLU A 42 6.124 -10.618 -16.260 1.00 0.00 C ATOM 670 CG GLU A 42 6.994 -11.399 -17.235 1.00 0.00 C ATOM 671 CD GLU A 42 6.321 -12.636 -17.759 1.00 0.00 C ATOM 672 OE1 GLU A 42 5.278 -12.979 -17.258 1.00 0.00 O ATOM 673 OE2 GLU A 42 6.851 -13.238 -18.663 1.00 0.00 O1- ATOM 0 H GLU A 42 7.919 -10.910 -14.596 1.00 0.00 H new ATOM 0 HA GLU A 42 7.347 -8.852 -16.360 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.773 -11.296 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.243 -10.255 -16.789 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.261 -10.754 -18.072 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.924 -11.679 -16.740 1.00 0.00 H new ATOM 680 N GLU A 43 5.469 -8.830 -13.681 1.00 0.00 N ATOM 681 CA GLU A 43 4.529 -8.020 -12.916 1.00 0.00 C ATOM 682 C GLU A 43 5.203 -6.769 -12.365 1.00 0.00 C ATOM 683 O GLU A 43 4.597 -5.699 -12.309 1.00 0.00 O ATOM 684 CB GLU A 43 3.933 -8.836 -11.767 1.00 0.00 C ATOM 685 CG GLU A 43 3.078 -10.015 -12.212 1.00 0.00 C ATOM 686 CD GLU A 43 1.869 -9.596 -13.001 1.00 0.00 C ATOM 687 OE1 GLU A 43 1.164 -8.724 -12.552 1.00 0.00 O ATOM 688 OE2 GLU A 43 1.649 -10.149 -14.052 1.00 0.00 O1- ATOM 0 H GLU A 43 5.843 -9.632 -13.174 1.00 0.00 H new ATOM 0 HA GLU A 43 3.729 -7.713 -13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.745 -9.207 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.327 -8.177 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.684 -10.689 -12.817 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.756 -10.576 -11.334 1.00 0.00 H new ATOM 695 N LYS A 44 6.461 -6.910 -11.960 1.00 0.00 N ATOM 696 CA LYS A 44 7.281 -5.761 -11.596 1.00 0.00 C ATOM 697 C LYS A 44 7.400 -4.779 -12.754 1.00 0.00 C ATOM 698 O LYS A 44 7.353 -3.565 -12.558 1.00 0.00 O ATOM 699 CB LYS A 44 8.671 -6.217 -11.149 1.00 0.00 C ATOM 700 CG LYS A 44 8.696 -6.935 -9.805 1.00 0.00 C ATOM 701 CD LYS A 44 10.105 -7.381 -9.444 1.00 0.00 C ATOM 702 CE LYS A 44 10.128 -8.118 -8.112 1.00 0.00 C ATOM 703 NZ LYS A 44 11.497 -8.579 -7.755 1.00 0.00 N1+ ATOM 0 H LYS A 44 6.935 -7.809 -11.876 1.00 0.00 H new ATOM 0 HA LYS A 44 6.791 -5.251 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.084 -6.880 -11.909 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.325 -5.347 -11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.312 -6.273 -9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.036 -7.801 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.495 -8.030 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.762 -6.513 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.750 -7.462 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.457 -8.976 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.469 -9.076 -6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.848 -9.225 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.132 -7.758 -7.683 1.00 0.00 H new ATOM 717 N PHE A 45 7.554 -5.311 -13.961 1.00 0.00 N ATOM 718 CA PHE A 45 7.578 -4.488 -15.164 1.00 0.00 C ATOM 719 C PHE A 45 6.264 -3.740 -15.347 1.00 0.00 C ATOM 720 O PHE A 45 6.253 -2.567 -15.723 1.00 0.00 O ATOM 721 CB PHE A 45 7.853 -5.351 -16.397 1.00 0.00 C ATOM 722 CG PHE A 45 7.983 -4.565 -17.671 1.00 0.00 C ATOM 723 CD1 PHE A 45 8.325 -3.221 -17.641 1.00 0.00 C ATOM 724 CD2 PHE A 45 7.763 -5.167 -18.901 1.00 0.00 C ATOM 725 CE1 PHE A 45 8.444 -2.497 -18.812 1.00 0.00 C ATOM 726 CE2 PHE A 45 7.883 -4.445 -20.072 1.00 0.00 C ATOM 727 CZ PHE A 45 8.223 -3.109 -20.027 1.00 0.00 C ATOM 0 H PHE A 45 7.664 -6.310 -14.132 1.00 0.00 H new ATOM 0 HA PHE A 45 8.379 -3.758 -15.049 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.770 -5.917 -16.235 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.047 -6.076 -16.509 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.500 -2.735 -16.692 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.495 -6.212 -18.943 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.710 -1.451 -18.775 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.711 -4.926 -21.023 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.316 -2.543 -20.942 1.00 0.00 H new ATOM 737 N LYS A 46 5.157 -4.423 -15.077 1.00 0.00 N ATOM 738 CA LYS A 46 3.844 -3.790 -15.085 1.00 0.00 C ATOM 739 C LYS A 46 3.773 -2.656 -14.070 1.00 0.00 C ATOM 740 O LYS A 46 3.235 -1.586 -14.357 1.00 0.00 O ATOM 741 CB LYS A 46 2.749 -4.820 -14.800 1.00 0.00 C ATOM 742 CG LYS A 46 2.495 -5.799 -15.938 1.00 0.00 C ATOM 743 CD LYS A 46 1.440 -6.826 -15.557 1.00 0.00 C ATOM 744 CE LYS A 46 1.237 -7.849 -16.666 1.00 0.00 C ATOM 745 NZ LYS A 46 0.294 -8.927 -16.262 1.00 0.00 N1+ ATOM 0 H LYS A 46 5.143 -5.417 -14.849 1.00 0.00 H new ATOM 0 HA LYS A 46 3.684 -3.370 -16.078 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.020 -5.383 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.821 -4.293 -14.576 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.171 -5.254 -16.825 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.424 -6.307 -16.198 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.739 -7.335 -14.641 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.497 -6.321 -15.348 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.856 -7.348 -17.556 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.198 -8.289 -16.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.144 -9.575 -17.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.693 -9.455 -15.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.615 -8.506 -15.982 1.00 0.00 H new ATOM 759 N GLU A 47 4.319 -2.896 -12.884 1.00 0.00 N ATOM 760 CA GLU A 47 4.343 -1.886 -11.833 1.00 0.00 C ATOM 761 C GLU A 47 5.205 -0.695 -12.232 1.00 0.00 C ATOM 762 O GLU A 47 4.878 0.452 -11.925 1.00 0.00 O ATOM 763 CB GLU A 47 4.865 -2.488 -10.526 1.00 0.00 C ATOM 764 CG GLU A 47 3.914 -3.477 -9.866 1.00 0.00 C ATOM 765 CD GLU A 47 4.445 -4.025 -8.571 1.00 0.00 C ATOM 766 OE1 GLU A 47 5.537 -3.665 -8.198 1.00 0.00 O ATOM 767 OE2 GLU A 47 3.759 -4.805 -7.953 1.00 0.00 O1- ATOM 0 H GLU A 47 4.752 -3.783 -12.626 1.00 0.00 H new ATOM 0 HA GLU A 47 3.321 -1.537 -11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.812 -2.990 -10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.073 -1.679 -9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.958 -2.987 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.722 -4.302 -10.552 1.00 0.00 H new ATOM 774 N ILE A 48 6.306 -0.973 -12.921 1.00 0.00 N ATOM 775 CA ILE A 48 7.157 0.080 -13.463 1.00 0.00 C ATOM 776 C ILE A 48 6.476 0.796 -14.622 1.00 0.00 C ATOM 777 O ILE A 48 6.484 2.025 -14.696 1.00 0.00 O ATOM 778 CB ILE A 48 8.506 -0.492 -13.935 1.00 0.00 C ATOM 779 CG1 ILE A 48 9.332 -0.968 -12.737 1.00 0.00 C ATOM 780 CG2 ILE A 48 9.275 0.548 -14.736 1.00 0.00 C ATOM 781 CD1 ILE A 48 10.538 -1.797 -13.117 1.00 0.00 C ATOM 0 H ILE A 48 6.631 -1.920 -13.118 1.00 0.00 H new ATOM 0 HA ILE A 48 7.335 0.798 -12.662 1.00 0.00 H new ATOM 0 HB ILE A 48 8.312 -1.348 -14.582 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.665 -0.099 -12.169 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.693 -1.555 -12.077 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.226 0.126 -15.062 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.690 0.841 -15.608 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.460 1.423 -14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.072 -2.097 -12.215 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.213 -2.685 -13.658 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.200 -1.207 -13.751 1.00 0.00 H new ATOM 793 N ALA A 49 5.886 0.020 -15.526 1.00 0.00 N ATOM 794 CA ALA A 49 5.043 0.575 -16.579 1.00 0.00 C ATOM 795 C ALA A 49 3.939 1.448 -15.997 1.00 0.00 C ATOM 796 O ALA A 49 3.609 2.498 -16.550 1.00 0.00 O ATOM 797 CB ALA A 49 4.445 -0.543 -17.421 1.00 0.00 C ATOM 0 H ALA A 49 5.976 -0.996 -15.550 1.00 0.00 H new ATOM 0 HA ALA A 49 5.667 1.202 -17.216 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.818 -0.114 -18.203 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.247 -1.124 -17.877 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.841 -1.193 -16.787 1.00 0.00 H new ATOM 803 N GLU A 50 3.370 1.008 -14.880 1.00 0.00 N ATOM 804 CA GLU A 50 2.371 1.796 -14.168 1.00 0.00 C ATOM 805 C GLU A 50 2.980 3.068 -13.592 1.00 0.00 C ATOM 806 O GLU A 50 2.415 4.154 -13.728 1.00 0.00 O ATOM 807 CB GLU A 50 1.739 0.968 -13.047 1.00 0.00 C ATOM 808 CG GLU A 50 0.676 1.705 -12.245 1.00 0.00 C ATOM 809 CD GLU A 50 -0.606 1.893 -13.006 1.00 0.00 C ATOM 810 OE1 GLU A 50 -0.823 1.176 -13.954 1.00 0.00 O ATOM 811 OE2 GLU A 50 -1.370 2.755 -12.641 1.00 0.00 O1- ATOM 0 H GLU A 50 3.584 0.109 -14.448 1.00 0.00 H new ATOM 0 HA GLU A 50 1.599 2.079 -14.883 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.294 0.072 -13.480 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.525 0.638 -12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.471 1.151 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.063 2.680 -11.949 1.00 0.00 H new ATOM 818 N ALA A 51 4.133 2.927 -12.949 1.00 0.00 N ATOM 819 CA ALA A 51 4.888 4.077 -12.467 1.00 0.00 C ATOM 820 C ALA A 51 4.988 5.158 -13.537 1.00 0.00 C ATOM 821 O ALA A 51 4.589 6.302 -13.317 1.00 0.00 O ATOM 822 CB ALA A 51 6.276 3.650 -12.016 1.00 0.00 C ATOM 0 H ALA A 51 4.566 2.025 -12.749 1.00 0.00 H new ATOM 0 HA ALA A 51 4.354 4.495 -11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.826 4.520 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.189 2.921 -11.211 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.809 3.202 -12.855 1.00 0.00 H new ATOM 828 N TYR A 52 5.523 4.788 -14.696 1.00 0.00 N ATOM 829 CA TYR A 52 5.665 5.721 -15.807 1.00 0.00 C ATOM 830 C TYR A 52 4.305 6.142 -16.349 1.00 0.00 C ATOM 831 O TYR A 52 4.055 7.327 -16.574 1.00 0.00 O ATOM 832 CB TYR A 52 6.513 5.103 -16.920 1.00 0.00 C ATOM 833 CG TYR A 52 6.789 6.045 -18.071 1.00 0.00 C ATOM 834 CD1 TYR A 52 7.667 7.106 -17.902 1.00 0.00 C ATOM 835 CD2 TYR A 52 6.167 5.847 -19.295 1.00 0.00 C ATOM 836 CE1 TYR A 52 7.919 7.967 -18.954 1.00 0.00 C ATOM 837 CE2 TYR A 52 6.420 6.708 -20.345 1.00 0.00 C ATOM 838 CZ TYR A 52 7.293 7.764 -20.178 1.00 0.00 C ATOM 839 OH TYR A 52 7.545 8.621 -21.225 1.00 0.00 O ATOM 0 H TYR A 52 5.866 3.847 -14.890 1.00 0.00 H new ATOM 0 HA TYR A 52 6.171 6.612 -15.434 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.462 4.771 -16.499 1.00 0.00 H new ATOM 0 HB3 TYR A 52 6.006 4.217 -17.301 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.153 7.259 -16.950 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.485 5.020 -19.427 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.600 8.795 -18.825 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.934 6.555 -21.297 1.00 0.00 H new ATOM 0 HH TYR A 52 6.709 9.046 -21.508 1.00 0.00 H new ATOM 849 N ASP A 53 3.430 5.166 -16.560 1.00 0.00 N ATOM 850 CA ASP A 53 2.071 5.439 -17.012 1.00 0.00 C ATOM 851 C ASP A 53 1.609 6.820 -16.565 1.00 0.00 C ATOM 852 O ASP A 53 1.220 7.651 -17.385 1.00 0.00 O ATOM 853 CB ASP A 53 1.105 4.376 -16.483 1.00 0.00 C ATOM 854 CG ASP A 53 -0.284 4.479 -17.097 1.00 0.00 C ATOM 855 OD1 ASP A 53 -0.400 4.321 -18.290 1.00 0.00 O ATOM 856 OD2 ASP A 53 -1.218 4.715 -16.369 1.00 0.00 O1- ATOM 0 H ASP A 53 3.638 4.177 -16.425 1.00 0.00 H new ATOM 0 HA ASP A 53 2.074 5.410 -18.102 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.514 3.387 -16.687 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.026 4.471 -15.400 1.00 0.00 H new ATOM 861 N VAL A 54 1.654 7.059 -15.259 1.00 0.00 N ATOM 862 CA VAL A 54 1.127 8.293 -14.687 1.00 0.00 C ATOM 863 C VAL A 54 2.048 9.470 -14.975 1.00 0.00 C ATOM 864 O VAL A 54 1.591 10.599 -15.154 1.00 0.00 O ATOM 865 CB VAL A 54 0.951 8.143 -13.164 1.00 0.00 C ATOM 866 CG1 VAL A 54 0.448 6.748 -12.821 1.00 0.00 C ATOM 867 CG2 VAL A 54 2.268 8.430 -12.459 1.00 0.00 C ATOM 0 H VAL A 54 2.050 6.414 -14.576 1.00 0.00 H new ATOM 0 HA VAL A 54 0.159 8.486 -15.150 1.00 0.00 H new ATOM 0 HB VAL A 54 0.209 8.864 -12.821 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.329 6.659 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.513 6.578 -13.307 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.167 6.006 -13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.136 8.322 -11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.026 7.727 -12.804 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.587 9.447 -12.685 1.00 0.00 H new ATOM 877 N LEU A 55 3.349 9.202 -15.018 1.00 0.00 N ATOM 878 CA LEU A 55 4.332 10.224 -15.355 1.00 0.00 C ATOM 879 C LEU A 55 4.175 10.685 -16.798 1.00 0.00 C ATOM 880 O LEU A 55 4.485 11.829 -17.132 1.00 0.00 O ATOM 881 CB LEU A 55 5.752 9.687 -15.134 1.00 0.00 C ATOM 882 CG LEU A 55 6.369 9.982 -13.762 1.00 0.00 C ATOM 883 CD1 LEU A 55 5.995 11.393 -13.329 1.00 0.00 C ATOM 884 CD2 LEU A 55 5.880 8.953 -12.754 1.00 0.00 C ATOM 0 H LEU A 55 3.747 8.283 -14.823 1.00 0.00 H new ATOM 0 HA LEU A 55 4.163 11.079 -14.701 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.739 8.607 -15.281 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.402 10.106 -15.902 1.00 0.00 H new ATOM 0 HG LEU A 55 7.456 9.917 -13.820 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.434 11.603 -12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.373 12.110 -14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.910 11.478 -13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.319 9.162 -11.778 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.794 9.002 -12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.177 7.956 -13.079 1.00 0.00 H new ATOM 896 N SER A 56 3.691 9.789 -17.651 1.00 0.00 N ATOM 897 CA SER A 56 3.437 10.119 -19.048 1.00 0.00 C ATOM 898 C SER A 56 2.012 10.620 -19.245 1.00 0.00 C ATOM 899 O SER A 56 1.720 11.328 -20.209 1.00 0.00 O ATOM 900 CB SER A 56 3.681 8.906 -19.924 1.00 0.00 C ATOM 901 OG SER A 56 2.739 7.901 -19.666 1.00 0.00 O ATOM 0 H SER A 56 3.466 8.827 -17.398 1.00 0.00 H new ATOM 0 HA SER A 56 4.123 10.916 -19.335 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.631 9.195 -20.974 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.686 8.522 -19.747 1.00 0.00 H new ATOM 0 HG SER A 56 2.307 8.071 -18.803 1.00 0.00 H new ATOM 907 N ASP A 57 1.127 10.249 -18.327 1.00 0.00 N ATOM 908 CA ASP A 57 -0.292 10.549 -18.465 1.00 0.00 C ATOM 909 C ASP A 57 -0.777 11.454 -17.339 1.00 0.00 C ATOM 910 O ASP A 57 -0.881 11.027 -16.188 1.00 0.00 O ATOM 911 CB ASP A 57 -1.115 9.257 -18.479 1.00 0.00 C ATOM 912 CG ASP A 57 -2.584 9.495 -18.798 1.00 0.00 C ATOM 913 OD1 ASP A 57 -3.035 10.605 -18.640 1.00 0.00 O ATOM 914 OD2 ASP A 57 -3.243 8.564 -19.196 1.00 0.00 O1- ATOM 0 H ASP A 57 1.369 9.739 -17.477 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.428 11.072 -19.412 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.695 8.572 -19.215 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.034 8.770 -17.507 1.00 0.00 H new ATOM 919 N PRO A 58 -1.070 12.704 -17.677 1.00 0.00 N ATOM 920 CA PRO A 58 -1.395 13.713 -16.675 1.00 0.00 C ATOM 921 C PRO A 58 -2.618 13.309 -15.861 1.00 0.00 C ATOM 922 O PRO A 58 -2.856 13.837 -14.776 1.00 0.00 O ATOM 923 CB PRO A 58 -1.666 14.962 -17.519 1.00 0.00 C ATOM 924 CG PRO A 58 -0.822 14.774 -18.732 1.00 0.00 C ATOM 925 CD PRO A 58 -0.905 13.299 -19.022 1.00 0.00 C ATOM 0 HA PRO A 58 -0.604 13.861 -15.940 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.722 15.047 -17.778 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.395 15.871 -16.983 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.193 15.365 -19.569 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.207 15.086 -18.552 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.746 13.063 -19.674 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.005 12.934 -19.517 1.00 0.00 H new ATOM 933 N ARG A 59 -3.390 12.366 -16.392 1.00 0.00 N ATOM 934 CA ARG A 59 -4.678 12.013 -15.808 1.00 0.00 C ATOM 935 C ARG A 59 -4.500 11.208 -14.528 1.00 0.00 C ATOM 936 O ARG A 59 -5.307 11.307 -13.604 1.00 0.00 O ATOM 937 CB ARG A 59 -5.513 11.211 -16.797 1.00 0.00 C ATOM 938 CG ARG A 59 -5.975 11.986 -18.020 1.00 0.00 C ATOM 939 CD ARG A 59 -6.779 11.136 -18.936 1.00 0.00 C ATOM 940 NE ARG A 59 -6.002 10.028 -19.469 1.00 0.00 N ATOM 941 CZ ARG A 59 -6.498 9.056 -20.258 1.00 0.00 C ATOM 942 NH1 ARG A 59 -7.770 9.068 -20.596 1.00 0.00 N1+ ATOM 943 NH2 ARG A 59 -5.708 8.089 -20.693 1.00 0.00 N ATOM 0 H ARG A 59 -3.145 11.833 -17.226 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.195 12.942 -15.569 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.931 10.351 -17.128 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.390 10.822 -16.279 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.568 12.844 -17.705 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.108 12.377 -18.553 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.647 10.748 -18.403 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.156 11.744 -19.758 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.012 9.984 -19.228 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.380 9.813 -20.260 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.146 8.332 -21.194 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.722 8.079 -20.431 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.084 7.353 -21.291 1.00 0.00 H new ATOM 957 N LYS A 60 -3.438 10.411 -14.478 1.00 0.00 N ATOM 958 CA LYS A 60 -3.067 9.703 -13.260 1.00 0.00 C ATOM 959 C LYS A 60 -1.873 10.360 -12.581 1.00 0.00 C ATOM 960 O LYS A 60 -1.486 9.980 -11.476 1.00 0.00 O ATOM 961 CB LYS A 60 -2.757 8.237 -13.566 1.00 0.00 C ATOM 962 CG LYS A 60 -3.871 7.496 -14.294 1.00 0.00 C ATOM 963 CD LYS A 60 -5.173 7.547 -13.509 1.00 0.00 C ATOM 964 CE LYS A 60 -6.251 6.700 -14.169 1.00 0.00 C ATOM 965 NZ LYS A 60 -7.548 6.785 -13.443 1.00 0.00 N1+ ATOM 0 H LYS A 60 -2.818 10.239 -15.270 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.915 9.751 -12.577 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.850 8.188 -14.169 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.545 7.720 -12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.020 7.937 -15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.578 6.458 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.001 7.193 -12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.514 8.579 -13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.390 7.028 -15.199 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.924 5.661 -14.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.255 6.194 -13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.422 6.448 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.874 7.772 -13.429 1.00 0.00 H new ATOM 979 N ARG A 61 -1.291 11.350 -13.250 1.00 0.00 N ATOM 980 CA ARG A 61 -0.163 12.090 -12.695 1.00 0.00 C ATOM 981 C ARG A 61 -0.589 12.921 -11.491 1.00 0.00 C ATOM 982 O ARG A 61 0.021 12.842 -10.424 1.00 0.00 O ATOM 983 CB ARG A 61 0.447 13.004 -13.748 1.00 0.00 C ATOM 984 CG ARG A 61 1.759 13.658 -13.343 1.00 0.00 C ATOM 985 CD ARG A 61 2.474 14.225 -14.515 1.00 0.00 C ATOM 986 NE ARG A 61 3.741 14.830 -14.137 1.00 0.00 N ATOM 987 CZ ARG A 61 4.747 15.096 -14.992 1.00 0.00 C ATOM 988 NH1 ARG A 61 4.620 14.806 -16.267 1.00 0.00 N1+ ATOM 989 NH2 ARG A 61 5.863 15.650 -14.548 1.00 0.00 N ATOM 0 H ARG A 61 -1.582 11.659 -14.178 1.00 0.00 H new ATOM 0 HA ARG A 61 0.581 11.361 -12.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.611 12.427 -14.658 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.273 13.786 -13.991 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.563 14.449 -12.619 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.395 12.923 -12.849 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.652 13.438 -15.247 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.844 14.973 -14.997 1.00 0.00 H new ATOM 0 HE ARG A 61 3.878 15.070 -13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.759 14.379 -16.610 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.382 15.008 -16.914 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.962 15.876 -13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.625 15.851 -15.195 1.00 0.00 H new ATOM 1003 N GLU A 62 -1.636 13.717 -11.668 1.00 0.00 N ATOM 1004 CA GLU A 62 -2.218 14.475 -10.567 1.00 0.00 C ATOM 1005 C GLU A 62 -2.532 13.572 -9.381 1.00 0.00 C ATOM 1006 O GLU A 62 -2.348 13.960 -8.227 1.00 0.00 O ATOM 1007 CB GLU A 62 -3.490 15.192 -11.025 1.00 0.00 C ATOM 1008 CG GLU A 62 -4.152 16.045 -9.952 1.00 0.00 C ATOM 1009 CD GLU A 62 -5.376 16.764 -10.450 1.00 0.00 C ATOM 1010 OE1 GLU A 62 -5.706 16.609 -11.601 1.00 0.00 O ATOM 1011 OE2 GLU A 62 -5.980 17.470 -9.677 1.00 0.00 O1- ATOM 0 H GLU A 62 -2.101 13.855 -12.566 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.484 15.216 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.248 15.826 -11.878 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.206 14.448 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.427 15.411 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.433 16.776 -9.581 1.00 0.00 H new ATOM 1018 N ILE A 63 -3.007 12.366 -9.672 1.00 0.00 N ATOM 1019 CA ILE A 63 -3.464 11.451 -8.633 1.00 0.00 C ATOM 1020 C ILE A 63 -2.295 10.918 -7.816 1.00 0.00 C ATOM 1021 O ILE A 63 -2.209 11.154 -6.610 1.00 0.00 O ATOM 1022 CB ILE A 63 -4.245 10.273 -9.242 1.00 0.00 C ATOM 1023 CG1 ILE A 63 -5.564 10.762 -9.847 1.00 0.00 C ATOM 1024 CG2 ILE A 63 -4.500 9.203 -8.192 1.00 0.00 C ATOM 1025 CD1 ILE A 63 -6.275 9.722 -10.682 1.00 0.00 C ATOM 0 H ILE A 63 -3.086 11.999 -10.620 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.125 12.013 -7.974 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.644 9.834 -10.038 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.225 11.082 -9.042 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.367 11.638 -10.465 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.053 8.378 -8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.548 8.836 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.082 9.628 -7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.200 10.142 -11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.633 9.418 -11.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.505 8.854 -10.064 1.00 0.00 H new ATOM 1037 N PHE A 64 -1.395 10.199 -8.478 1.00 0.00 N ATOM 1038 CA PHE A 64 -0.121 9.822 -7.876 1.00 0.00 C ATOM 1039 C PHE A 64 0.489 10.985 -7.106 1.00 0.00 C ATOM 1040 O PHE A 64 0.757 10.877 -5.909 1.00 0.00 O ATOM 1041 CB PHE A 64 0.857 9.346 -8.951 1.00 0.00 C ATOM 1042 CG PHE A 64 2.259 9.146 -8.449 1.00 0.00 C ATOM 1043 CD1 PHE A 64 2.511 8.324 -7.361 1.00 0.00 C ATOM 1044 CD2 PHE A 64 3.328 9.781 -9.063 1.00 0.00 C ATOM 1045 CE1 PHE A 64 3.800 8.140 -6.898 1.00 0.00 C ATOM 1046 CE2 PHE A 64 4.618 9.598 -8.604 1.00 0.00 C ATOM 1047 CZ PHE A 64 4.853 8.776 -7.519 1.00 0.00 C ATOM 0 H PHE A 64 -1.524 9.865 -9.433 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.312 9.007 -7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.494 8.408 -9.370 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.872 10.073 -9.763 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.691 7.822 -6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.150 10.426 -9.910 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.982 7.498 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.442 10.097 -9.093 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.861 8.632 -7.158 1.00 0.00 H new ATOM 1057 N ASP A 65 0.707 12.098 -7.798 1.00 0.00 N ATOM 1058 CA ASP A 65 1.347 13.262 -7.197 1.00 0.00 C ATOM 1059 C ASP A 65 0.584 13.735 -5.966 1.00 0.00 C ATOM 1060 O ASP A 65 1.182 14.069 -4.944 1.00 0.00 O ATOM 1061 CB ASP A 65 1.448 14.403 -8.212 1.00 0.00 C ATOM 1062 CG ASP A 65 2.514 14.160 -9.272 1.00 0.00 C ATOM 1063 OD1 ASP A 65 3.321 13.280 -9.084 1.00 0.00 O ATOM 1064 OD2 ASP A 65 2.512 14.856 -10.259 1.00 0.00 O1- ATOM 0 H ASP A 65 0.449 12.218 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 65 2.350 12.966 -6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.482 14.536 -8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.670 15.332 -7.686 1.00 0.00 H new ATOM 1069 N ARG A 66 -0.740 13.762 -6.072 1.00 0.00 N ATOM 1070 CA ARG A 66 -1.581 14.328 -5.023 1.00 0.00 C ATOM 1071 C ARG A 66 -1.512 13.494 -3.751 1.00 0.00 C ATOM 1072 O ARG A 66 -1.189 14.007 -2.678 1.00 0.00 O ATOM 1073 CB ARG A 66 -3.027 14.420 -5.488 1.00 0.00 C ATOM 1074 CG ARG A 66 -3.986 15.028 -4.477 1.00 0.00 C ATOM 1075 CD ARG A 66 -5.362 15.142 -5.024 1.00 0.00 C ATOM 1076 NE ARG A 66 -5.432 16.095 -6.121 1.00 0.00 N ATOM 1077 CZ ARG A 66 -5.518 17.431 -5.969 1.00 0.00 C ATOM 1078 NH1 ARG A 66 -5.542 17.955 -4.764 1.00 0.00 N1+ ATOM 1079 NH2 ARG A 66 -5.576 18.215 -7.031 1.00 0.00 N ATOM 0 H ARG A 66 -1.255 13.398 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.206 15.328 -4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.063 15.012 -6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.376 13.419 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.002 14.414 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.628 16.015 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.697 14.164 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.044 15.450 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.415 15.726 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.495 17.350 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.607 18.966 -4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.556 17.809 -7.966 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.641 19.226 -6.915 1.00 0.00 H new ATOM 1093 N TYR A 67 -1.816 12.207 -3.875 1.00 0.00 N ATOM 1094 CA TYR A 67 -1.900 11.324 -2.718 1.00 0.00 C ATOM 1095 C TYR A 67 -0.775 10.297 -2.724 1.00 0.00 C ATOM 1096 O TYR A 67 -0.142 10.048 -1.698 1.00 0.00 O ATOM 1097 CB TYR A 67 -3.260 10.622 -2.679 1.00 0.00 C ATOM 1098 CG TYR A 67 -4.422 11.555 -2.423 1.00 0.00 C ATOM 1099 CD1 TYR A 67 -5.468 11.626 -3.331 1.00 0.00 C ATOM 1100 CD2 TYR A 67 -4.442 12.340 -1.279 1.00 0.00 C ATOM 1101 CE1 TYR A 67 -6.529 12.478 -3.097 1.00 0.00 C ATOM 1102 CE2 TYR A 67 -5.503 13.191 -1.045 1.00 0.00 C ATOM 1103 CZ TYR A 67 -6.545 13.262 -1.949 1.00 0.00 C ATOM 1104 OH TYR A 67 -7.602 14.111 -1.715 1.00 0.00 O ATOM 0 H TYR A 67 -2.009 11.751 -4.767 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.793 11.936 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.421 10.109 -3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.242 9.858 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.453 11.015 -4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.628 12.285 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.344 12.535 -3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.519 13.802 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.459 14.586 -0.870 1.00 0.00 H new ATOM 1114 N GLY A 68 -0.531 9.703 -3.888 1.00 0.00 N ATOM 1115 CA GLY A 68 0.493 8.673 -4.021 1.00 0.00 C ATOM 1116 C GLY A 68 -0.058 7.437 -4.720 1.00 0.00 C ATOM 1117 O GLY A 68 -0.973 7.529 -5.537 1.00 0.00 O ATOM 0 H GLY A 68 -1.028 9.917 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.338 9.067 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.868 8.400 -3.035 1.00 0.00 H new ATOM 1121 N GLU A 69 0.504 6.278 -4.391 1.00 0.00 N ATOM 1122 CA GLU A 69 0.168 5.039 -5.083 1.00 0.00 C ATOM 1123 C GLU A 69 -1.154 4.470 -4.585 1.00 0.00 C ATOM 1124 O GLU A 69 -1.930 3.909 -5.357 1.00 0.00 O ATOM 1125 CB GLU A 69 1.281 4.006 -4.900 1.00 0.00 C ATOM 1126 CG GLU A 69 2.669 4.501 -5.286 1.00 0.00 C ATOM 1127 CD GLU A 69 3.326 5.304 -4.198 1.00 0.00 C ATOM 1128 OE1 GLU A 69 2.752 5.422 -3.142 1.00 0.00 O ATOM 1129 OE2 GLU A 69 4.405 5.800 -4.424 1.00 0.00 O1- ATOM 0 H GLU A 69 1.195 6.171 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 69 0.064 5.269 -6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.298 3.690 -3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.044 3.125 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.299 3.646 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.595 5.111 -6.186 1.00 0.00 H new ATOM 1136 N GLU A 70 -1.403 4.619 -3.288 1.00 0.00 N ATOM 1137 CA GLU A 70 -2.581 4.029 -2.663 1.00 0.00 C ATOM 1138 C GLU A 70 -3.861 4.662 -3.194 1.00 0.00 C ATOM 1139 O GLU A 70 -4.910 4.019 -3.241 1.00 0.00 O ATOM 1140 CB GLU A 70 -2.514 4.188 -1.142 1.00 0.00 C ATOM 1141 CG GLU A 70 -1.408 3.385 -0.474 1.00 0.00 C ATOM 1142 CD GLU A 70 -1.299 3.652 1.001 1.00 0.00 C ATOM 1143 OE1 GLU A 70 -1.949 4.555 1.471 1.00 0.00 O ATOM 1144 OE2 GLU A 70 -0.567 2.952 1.659 1.00 0.00 O1- ATOM 0 H GLU A 70 -0.805 5.143 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.594 2.968 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.374 5.243 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.472 3.889 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.591 2.322 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.457 3.620 -0.952 1.00 0.00 H new ATOM 1151 N GLY A 71 -3.769 5.927 -3.591 1.00 0.00 N ATOM 1152 CA GLY A 71 -4.924 6.658 -4.098 1.00 0.00 C ATOM 1153 C GLY A 71 -5.215 6.290 -5.547 1.00 0.00 C ATOM 1154 O GLY A 71 -6.194 6.756 -6.132 1.00 0.00 O ATOM 0 H GLY A 71 -2.904 6.468 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.796 6.438 -3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.742 7.730 -4.022 1.00 0.00 H new ATOM 1158 N LEU A 72 -4.360 5.453 -6.124 1.00 0.00 N ATOM 1159 CA LEU A 72 -4.542 4.996 -7.496 1.00 0.00 C ATOM 1160 C LEU A 72 -4.911 3.519 -7.541 1.00 0.00 C ATOM 1161 O LEU A 72 -5.581 3.065 -8.470 1.00 0.00 O ATOM 1162 CB LEU A 72 -3.262 5.235 -8.308 1.00 0.00 C ATOM 1163 CG LEU A 72 -3.317 4.805 -9.779 1.00 0.00 C ATOM 1164 CD1 LEU A 72 -4.490 5.492 -10.466 1.00 0.00 C ATOM 1165 CD2 LEU A 72 -2.002 5.154 -10.460 1.00 0.00 C ATOM 0 H LEU A 72 -3.532 5.077 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.361 5.568 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.022 6.297 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.442 4.704 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.463 3.727 -9.847 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.529 5.186 -11.512 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.419 5.209 -9.970 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.363 6.573 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.041 4.848 -11.506 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.837 6.230 -10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.184 4.634 -9.961 1.00 0.00 H new ATOM 1177 N LYS A 73 -4.470 2.774 -6.534 1.00 0.00 N ATOM 1178 CA LYS A 73 -4.813 1.361 -6.419 1.00 0.00 C ATOM 1179 C LYS A 73 -6.207 1.178 -5.834 1.00 0.00 C ATOM 1180 O LYS A 73 -6.951 0.287 -6.245 1.00 0.00 O ATOM 1181 CB LYS A 73 -3.782 0.628 -5.559 1.00 0.00 C ATOM 1182 CG LYS A 73 -4.042 -0.865 -5.402 1.00 0.00 C ATOM 1183 CD LYS A 73 -2.958 -1.529 -4.568 1.00 0.00 C ATOM 1184 CE LYS A 73 -3.214 -3.022 -4.412 1.00 0.00 C ATOM 1185 NZ LYS A 73 -2.185 -3.677 -3.560 1.00 0.00 N1+ ATOM 0 H LYS A 73 -3.874 3.125 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.806 0.934 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.794 0.768 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.759 1.087 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.013 -1.020 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.086 -1.334 -6.385 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.987 -1.372 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.915 -1.061 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.200 -3.177 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.224 -3.493 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.396 -4.692 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.247 -3.552 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.192 -3.246 -2.614 1.00 0.00 H new ATOM 1199 N GLY A 74 -6.558 2.027 -4.874 1.00 0.00 N ATOM 1200 CA GLY A 74 -7.873 1.978 -4.250 1.00 0.00 C ATOM 1201 C GLY A 74 -7.768 1.652 -2.765 1.00 0.00 C ATOM 1202 O GLY A 74 -8.660 1.028 -2.192 1.00 0.00 O ATOM 0 H GLY A 74 -5.947 2.759 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.376 2.936 -4.380 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.486 1.227 -4.747 1.00 0.00 H new ATOM 1371 N SER A 91 -6.673 -4.053 -8.972 1.00 0.00 N ATOM 1372 CA SER A 91 -5.240 -3.781 -8.977 1.00 0.00 C ATOM 1373 C SER A 91 -4.929 -2.479 -9.705 1.00 0.00 C ATOM 1374 O SER A 91 -5.815 -1.861 -10.297 1.00 0.00 O ATOM 1375 CB SER A 91 -4.492 -4.926 -9.631 1.00 0.00 C ATOM 1376 OG SER A 91 -4.754 -4.977 -11.007 1.00 0.00 O ATOM 0 HA SER A 91 -4.914 -3.681 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.421 -4.807 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.784 -5.868 -9.167 1.00 0.00 H new ATOM 0 HG SER A 91 -5.654 -4.632 -11.182 1.00 0.00 H new ATOM 1382 N TYR A 92 -3.667 -2.066 -9.657 1.00 0.00 N ATOM 1383 CA TYR A 92 -3.194 -0.953 -10.470 1.00 0.00 C ATOM 1384 C TYR A 92 -3.669 -1.081 -11.911 1.00 0.00 C ATOM 1385 O TYR A 92 -3.727 -2.181 -12.460 1.00 0.00 O ATOM 1386 CB TYR A 92 -1.667 -0.865 -10.420 1.00 0.00 C ATOM 1387 CG TYR A 92 -1.125 -0.402 -9.085 1.00 0.00 C ATOM 1388 CD1 TYR A 92 -0.570 -1.319 -8.206 1.00 0.00 C ATOM 1389 CD2 TYR A 92 -1.183 0.941 -8.742 1.00 0.00 C ATOM 1390 CE1 TYR A 92 -0.076 -0.896 -6.987 1.00 0.00 C ATOM 1391 CE2 TYR A 92 -0.688 1.364 -7.523 1.00 0.00 C ATOM 1392 CZ TYR A 92 -0.136 0.451 -6.649 1.00 0.00 C ATOM 1393 OH TYR A 92 0.356 0.872 -5.434 1.00 0.00 O ATOM 0 H TYR A 92 -2.953 -2.486 -9.062 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.613 -0.036 -10.057 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -1.248 -1.844 -10.652 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.326 -0.181 -11.197 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.524 -2.364 -8.474 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.615 1.656 -9.427 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.355 -1.609 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.733 2.409 -7.255 1.00 0.00 H new ATOM 0 HH TYR A 92 1.090 0.285 -5.157 1.00 0.00 H new ATOM 1403 N THR A 93 -4.008 0.050 -12.520 1.00 0.00 N ATOM 1404 CA THR A 93 -4.564 0.057 -13.868 1.00 0.00 C ATOM 1405 C THR A 93 -3.507 -0.304 -14.902 1.00 0.00 C ATOM 1406 O THR A 93 -3.031 0.556 -15.644 1.00 0.00 O ATOM 1407 CB THR A 93 -5.173 1.431 -14.208 1.00 0.00 C ATOM 1408 OG1 THR A 93 -5.795 1.373 -15.499 1.00 0.00 O ATOM 1409 CG2 THR A 93 -4.097 2.504 -14.215 1.00 0.00 C ATOM 0 H THR A 93 -3.907 0.975 -12.101 1.00 0.00 H new ATOM 0 HA THR A 93 -5.352 -0.695 -13.896 1.00 0.00 H new ATOM 0 HB THR A 93 -5.915 1.681 -13.450 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.184 2.246 -15.714 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.546 3.467 -14.457 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.630 2.558 -13.231 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.342 2.257 -14.962 1.00 0.00 H new ATOM 1486 N HIS A 99 4.105 0.289 -22.566 1.00 0.00 N ATOM 1487 CA HIS A 99 5.030 -0.456 -23.411 1.00 0.00 C ATOM 1488 C HIS A 99 4.763 -0.192 -24.887 1.00 0.00 C ATOM 1489 O HIS A 99 5.634 -0.398 -25.732 1.00 0.00 O ATOM 1490 CB HIS A 99 4.931 -1.959 -23.129 1.00 0.00 C ATOM 1491 CG HIS A 99 5.983 -2.771 -23.816 1.00 0.00 C ATOM 1492 ND1 HIS A 99 7.315 -2.719 -23.459 1.00 0.00 N ATOM 1493 CD2 HIS A 99 5.902 -3.655 -24.838 1.00 0.00 C ATOM 1494 CE1 HIS A 99 8.006 -3.537 -24.233 1.00 0.00 C ATOM 1495 NE2 HIS A 99 7.173 -4.116 -25.077 1.00 0.00 N ATOM 0 HA HIS A 99 6.038 -0.115 -23.174 1.00 0.00 H new ATOM 0 HB2 HIS A 99 5.002 -2.123 -22.054 1.00 0.00 H new ATOM 0 HB3 HIS A 99 3.949 -2.314 -23.441 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.005 -3.944 -25.366 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.072 -3.704 -24.183 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.432 -4.796 -25.792 1.00 0.00 H new ATOM 1502 N ALA A 100 3.553 0.264 -25.192 1.00 0.00 N ATOM 1503 CA ALA A 100 3.256 0.832 -26.501 1.00 0.00 C ATOM 1504 C ALA A 100 3.888 2.209 -26.661 1.00 0.00 C ATOM 1505 O ALA A 100 4.454 2.526 -27.707 1.00 0.00 O ATOM 1506 CB ALA A 100 1.751 0.913 -26.714 1.00 0.00 C ATOM 0 H ALA A 100 2.761 0.251 -24.549 1.00 0.00 H new ATOM 0 HA ALA A 100 3.685 0.175 -27.258 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.545 1.339 -27.696 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.321 -0.087 -26.655 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.308 1.545 -25.944 1.00 0.00 H new ATOM 1512 N MET A 101 3.788 3.024 -25.617 1.00 0.00 N ATOM 1513 CA MET A 101 4.533 4.276 -25.548 1.00 0.00 C ATOM 1514 C MET A 101 6.032 4.031 -25.670 1.00 0.00 C ATOM 1515 O MET A 101 6.711 4.671 -26.472 1.00 0.00 O ATOM 1516 CB MET A 101 4.217 5.009 -24.246 1.00 0.00 C ATOM 1517 CG MET A 101 2.804 5.569 -24.166 1.00 0.00 C ATOM 1518 SD MET A 101 2.486 6.436 -22.616 1.00 0.00 S ATOM 1519 CE MET A 101 0.749 6.828 -22.798 1.00 0.00 C ATOM 0 H MET A 101 3.198 2.840 -24.806 1.00 0.00 H new ATOM 0 HA MET A 101 4.225 4.900 -26.387 1.00 0.00 H new ATOM 0 HB2 MET A 101 4.371 4.325 -23.412 1.00 0.00 H new ATOM 0 HB3 MET A 101 4.926 5.827 -24.123 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.640 6.252 -25.000 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.088 4.755 -24.276 1.00 0.00 H new ATOM 0 HE1 MET A 101 0.403 7.367 -21.916 1.00 0.00 H new ATOM 0 HE2 MET A 101 0.607 7.450 -23.682 1.00 0.00 H new ATOM 0 HE3 MET A 101 0.177 5.906 -22.907 1.00 0.00 H new ATOM 1529 N PHE A 102 6.541 3.102 -24.869 1.00 0.00 N ATOM 1530 CA PHE A 102 7.959 2.760 -24.895 1.00 0.00 C ATOM 1531 C PHE A 102 8.384 2.283 -26.278 1.00 0.00 C ATOM 1532 O PHE A 102 9.370 2.765 -26.836 1.00 0.00 O ATOM 1533 CB PHE A 102 8.268 1.678 -23.859 1.00 0.00 C ATOM 1534 CG PHE A 102 9.696 1.215 -23.876 1.00 0.00 C ATOM 1535 CD1 PHE A 102 10.730 2.099 -23.610 1.00 0.00 C ATOM 1536 CD2 PHE A 102 10.009 -0.107 -24.156 1.00 0.00 C ATOM 1537 CE1 PHE A 102 12.046 1.673 -23.624 1.00 0.00 C ATOM 1538 CE2 PHE A 102 11.322 -0.535 -24.170 1.00 0.00 C ATOM 1539 CZ PHE A 102 12.342 0.356 -23.904 1.00 0.00 C ATOM 0 H PHE A 102 5.992 2.571 -24.192 1.00 0.00 H new ATOM 0 HA PHE A 102 8.522 3.661 -24.651 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.031 2.060 -22.866 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.616 0.822 -24.035 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.506 3.132 -23.389 1.00 0.00 H new ATOM 0 HD2 PHE A 102 9.216 -0.810 -24.366 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.842 2.373 -23.415 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.551 -1.567 -24.389 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.369 0.022 -23.915 1.00 0.00 H new ATOM 1549 N ALA A 103 7.634 1.333 -26.827 1.00 0.00 N ATOM 1550 CA ALA A 103 7.894 0.833 -28.172 1.00 0.00 C ATOM 1551 C ALA A 103 7.933 1.971 -29.185 1.00 0.00 C ATOM 1552 O ALA A 103 8.713 1.940 -30.136 1.00 0.00 O ATOM 1553 CB ALA A 103 6.842 -0.192 -28.568 1.00 0.00 C ATOM 0 H ALA A 103 6.840 0.894 -26.360 1.00 0.00 H new ATOM 0 HA ALA A 103 8.872 0.351 -28.169 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.049 -0.556 -29.574 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.866 -1.027 -27.868 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.856 0.272 -28.546 1.00 0.00 H new ATOM 1559 N GLU A 104 7.087 2.972 -28.974 1.00 0.00 N ATOM 1560 CA GLU A 104 7.042 4.135 -29.852 1.00 0.00 C ATOM 1561 C GLU A 104 8.232 5.055 -29.610 1.00 0.00 C ATOM 1562 O GLU A 104 8.860 5.536 -30.554 1.00 0.00 O ATOM 1563 CB GLU A 104 5.738 4.908 -29.648 1.00 0.00 C ATOM 1564 CG GLU A 104 5.596 6.144 -30.526 1.00 0.00 C ATOM 1565 CD GLU A 104 5.520 5.816 -31.991 1.00 0.00 C ATOM 1566 OE1 GLU A 104 5.182 4.701 -32.313 1.00 0.00 O ATOM 1567 OE2 GLU A 104 5.799 6.679 -32.789 1.00 0.00 O1- ATOM 0 H GLU A 104 6.422 3.002 -28.201 1.00 0.00 H new ATOM 0 HA GLU A 104 7.089 3.777 -30.880 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.899 4.240 -29.844 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.668 5.210 -28.603 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.699 6.690 -30.234 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.443 6.807 -30.351 1.00 0.00 H new ATOM 1574 N PHE A 105 8.538 5.296 -28.340 1.00 0.00 N ATOM 1575 CA PHE A 105 9.581 6.246 -27.970 1.00 0.00 C ATOM 1576 C PHE A 105 10.963 5.714 -28.325 1.00 0.00 C ATOM 1577 O PHE A 105 11.722 6.364 -29.045 1.00 0.00 O ATOM 1578 CB PHE A 105 9.517 6.553 -26.473 1.00 0.00 C ATOM 1579 CG PHE A 105 8.264 7.269 -26.054 1.00 0.00 C ATOM 1580 CD1 PHE A 105 7.481 7.929 -26.989 1.00 0.00 C ATOM 1581 CD2 PHE A 105 7.869 7.285 -24.726 1.00 0.00 C ATOM 1582 CE1 PHE A 105 6.328 8.589 -26.605 1.00 0.00 C ATOM 1583 CE2 PHE A 105 6.716 7.942 -24.338 1.00 0.00 C ATOM 1584 CZ PHE A 105 5.945 8.594 -25.279 1.00 0.00 C ATOM 0 H PHE A 105 8.078 4.846 -27.548 1.00 0.00 H new ATOM 0 HA PHE A 105 9.408 7.163 -28.534 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.594 5.619 -25.916 1.00 0.00 H new ATOM 0 HB3 PHE A 105 10.380 7.160 -26.199 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.775 7.928 -28.028 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.469 6.778 -23.985 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.727 9.100 -27.343 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.419 7.945 -23.300 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.044 9.107 -24.978 1.00 0.00 H new ATOM 1594 N PHE A 106 11.284 4.529 -27.819 1.00 0.00 N ATOM 1595 CA PHE A 106 12.640 4.000 -27.906 1.00 0.00 C ATOM 1596 C PHE A 106 12.681 2.725 -28.737 1.00 0.00 C ATOM 1597 O PHE A 106 13.685 2.426 -29.383 1.00 0.00 O ATOM 1598 CB PHE A 106 13.195 3.722 -26.508 1.00 0.00 C ATOM 1599 CG PHE A 106 13.269 4.939 -25.630 1.00 0.00 C ATOM 1600 CD1 PHE A 106 12.280 5.198 -24.694 1.00 0.00 C ATOM 1601 CD2 PHE A 106 14.327 5.828 -25.741 1.00 0.00 C ATOM 1602 CE1 PHE A 106 12.346 6.317 -23.887 1.00 0.00 C ATOM 1603 CE2 PHE A 106 14.397 6.948 -24.936 1.00 0.00 C ATOM 1604 CZ PHE A 106 13.404 7.193 -24.008 1.00 0.00 C ATOM 0 H PHE A 106 10.623 3.915 -27.343 1.00 0.00 H new ATOM 0 HA PHE A 106 13.259 4.752 -28.396 1.00 0.00 H new ATOM 0 HB2 PHE A 106 12.570 2.973 -26.022 1.00 0.00 H new ATOM 0 HB3 PHE A 106 14.192 3.293 -26.602 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.448 4.517 -24.595 1.00 0.00 H new ATOM 0 HD2 PHE A 106 15.106 5.642 -26.466 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.569 6.506 -23.161 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.228 7.632 -25.032 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.456 8.069 -23.378 1.00 0.00 H new ATOM 1614 N GLY A 107 11.584 1.975 -28.718 1.00 0.00 N ATOM 1615 CA GLY A 107 11.462 0.774 -29.535 1.00 0.00 C ATOM 1616 C GLY A 107 12.247 -0.384 -28.932 1.00 0.00 C ATOM 1617 O GLY A 107 12.703 -1.277 -29.647 1.00 0.00 O ATOM 0 H GLY A 107 10.766 2.179 -28.144 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.412 0.497 -29.625 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.825 0.978 -30.542 1.00 0.00 H new ATOM 1621 N GLY A 108 12.404 -0.364 -27.613 1.00 0.00 N ATOM 1622 CA GLY A 108 13.130 -1.414 -26.911 1.00 0.00 C ATOM 1623 C GLY A 108 14.621 -1.356 -27.223 1.00 0.00 C ATOM 1624 O GLY A 108 15.286 -2.388 -27.318 1.00 0.00 O ATOM 0 H GLY A 108 12.037 0.370 -27.008 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.976 -1.311 -25.837 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.733 -2.388 -27.197 1.00 0.00 H new