USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot 90:sc= -0.969 USER MOD Set 1.2: A 33 LYS NZ :NH3+ -176:sc= 0.748 (180deg=0) USER MOD Set 2.1: A 15 ASN : amide:sc= -1.36 K(o=-1.5,f=-3.2!) USER MOD Set 2.2: A 26 TYR OH : rot 60:sc= 0.00532 USER MOD Set 2.3: A 52 ASN : amide:sc= -0.15 K(o=-1.5,f=-3.3) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0632 X(o=-0.063,f=-0.063) USER MOD Single : A 21 ASN : amide:sc= -0.0415 K(o=-0.041,f=-1.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.08 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.327 USER MOD Single : A 25 CYS SG : rot 180:sc= -2.32 USER MOD Single : A 46 THR OG1 : rot 105:sc= 1.22 USER MOD Single : A 50 GLN : amide:sc= -0.571 K(o=-0.57,f=0) USER MOD Single : A 57 SER OG : rot -9:sc= 0.9! USER MOD Single : A 59 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.077 2.005 11.932 1.00 0.00 N ATOM 2 CA ASP A 11 5.282 3.439 11.586 1.00 0.00 C ATOM 3 C ASP A 11 4.624 3.735 10.238 1.00 0.00 C ATOM 4 O ASP A 11 3.951 4.733 10.072 1.00 0.00 O ATOM 5 CB ASP A 11 6.780 3.738 11.496 1.00 0.00 C ATOM 6 CG ASP A 11 7.450 3.385 12.826 1.00 0.00 C ATOM 7 OD1 ASP A 11 6.749 2.939 13.718 1.00 0.00 O ATOM 8 OD2 ASP A 11 8.652 3.568 12.927 1.00 0.00 O ATOM 0 HA ASP A 11 4.834 4.065 12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.229 3.163 10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.939 4.791 11.265 1.00 0.00 H new ATOM 13 N LEU A 12 4.809 2.873 9.275 1.00 0.00 N ATOM 14 CA LEU A 12 4.192 3.105 7.943 1.00 0.00 C ATOM 15 C LEU A 12 2.718 2.668 7.994 1.00 0.00 C ATOM 16 O LEU A 12 2.368 1.771 8.736 1.00 0.00 O ATOM 17 CB LEU A 12 4.936 2.268 6.899 1.00 0.00 C ATOM 18 CG LEU A 12 6.443 2.537 6.972 1.00 0.00 C ATOM 19 CD1 LEU A 12 7.164 1.614 5.986 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.729 4.001 6.604 1.00 0.00 C ATOM 0 H LEU A 12 5.361 2.019 9.356 1.00 0.00 H new ATOM 0 HA LEU A 12 4.253 4.161 7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.741 1.209 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.566 2.506 5.902 1.00 0.00 H new ATOM 0 HG LEU A 12 6.798 2.347 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.237 1.800 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.964 0.575 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.805 1.810 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.802 4.187 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.377 4.197 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.212 4.659 7.302 1.00 0.00 H new ATOM 32 N PRO A 13 1.853 3.281 7.213 1.00 0.00 N ATOM 33 CA PRO A 13 0.408 2.922 7.197 1.00 0.00 C ATOM 34 C PRO A 13 0.195 1.401 7.283 1.00 0.00 C ATOM 35 O PRO A 13 1.072 0.632 6.944 1.00 0.00 O ATOM 36 CB PRO A 13 -0.073 3.459 5.844 1.00 0.00 C ATOM 37 CG PRO A 13 0.809 4.637 5.554 1.00 0.00 C ATOM 38 CD PRO A 13 2.147 4.379 6.267 1.00 0.00 C ATOM 0 HA PRO A 13 -0.133 3.337 8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.014 2.701 5.066 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.122 3.753 5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.959 4.752 4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.352 5.559 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.926 4.096 5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.498 5.270 6.788 1.00 0.00 H new ATOM 46 N PRO A 14 -0.958 0.966 7.727 1.00 0.00 N ATOM 47 CA PRO A 14 -1.264 -0.488 7.844 1.00 0.00 C ATOM 48 C PRO A 14 -1.409 -1.151 6.469 1.00 0.00 C ATOM 49 O PRO A 14 -1.761 -0.514 5.497 1.00 0.00 O ATOM 50 CB PRO A 14 -2.588 -0.527 8.622 1.00 0.00 C ATOM 51 CG PRO A 14 -3.232 0.793 8.348 1.00 0.00 C ATOM 52 CD PRO A 14 -2.092 1.798 8.163 1.00 0.00 C ATOM 0 HA PRO A 14 -0.466 -1.038 8.342 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.218 -1.351 8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.416 -0.669 9.689 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.855 0.744 7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.880 1.088 9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.342 2.555 7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.868 2.325 9.091 1.00 0.00 H new ATOM 60 N ASN A 15 -1.140 -2.426 6.389 1.00 0.00 N ATOM 61 CA ASN A 15 -1.261 -3.150 5.089 1.00 0.00 C ATOM 62 C ASN A 15 -0.173 -2.687 4.112 1.00 0.00 C ATOM 63 O ASN A 15 0.032 -3.297 3.082 1.00 0.00 O ATOM 64 CB ASN A 15 -2.648 -2.901 4.481 1.00 0.00 C ATOM 65 CG ASN A 15 -3.691 -2.844 5.598 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.505 -3.428 6.647 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.787 -2.161 5.416 1.00 0.00 N ATOM 0 H ASN A 15 -0.839 -3.003 7.175 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.134 -4.217 5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.649 -1.966 3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.896 -3.695 3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.489 -2.117 6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.942 -1.671 4.535 1.00 0.00 H new ATOM 74 N LEU A 16 0.533 -1.622 4.418 1.00 0.00 N ATOM 75 CA LEU A 16 1.607 -1.146 3.487 1.00 0.00 C ATOM 76 C LEU A 16 2.963 -1.663 3.960 1.00 0.00 C ATOM 77 O LEU A 16 3.235 -1.735 5.143 1.00 0.00 O ATOM 78 CB LEU A 16 1.631 0.391 3.443 1.00 0.00 C ATOM 79 CG LEU A 16 2.773 0.884 2.502 1.00 0.00 C ATOM 80 CD1 LEU A 16 2.304 2.092 1.680 1.00 0.00 C ATOM 81 CD2 LEU A 16 4.009 1.297 3.322 1.00 0.00 C ATOM 0 H LEU A 16 0.413 -1.066 5.265 1.00 0.00 H new ATOM 0 HA LEU A 16 1.399 -1.526 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.671 0.767 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.780 0.789 4.447 1.00 0.00 H new ATOM 0 HG LEU A 16 3.034 0.062 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.112 2.424 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.443 1.808 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.023 2.903 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.795 1.638 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.740 2.104 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.368 0.442 3.895 1.00 0.00 H new ATOM 93 N TYR A 17 3.818 -2.029 3.036 1.00 0.00 N ATOM 94 CA TYR A 17 5.172 -2.550 3.404 1.00 0.00 C ATOM 95 C TYR A 17 6.219 -1.920 2.498 1.00 0.00 C ATOM 96 O TYR A 17 5.911 -1.125 1.633 1.00 0.00 O ATOM 97 CB TYR A 17 5.211 -4.062 3.191 1.00 0.00 C ATOM 98 CG TYR A 17 4.165 -4.715 4.049 1.00 0.00 C ATOM 99 CD1 TYR A 17 4.473 -5.072 5.362 1.00 0.00 C ATOM 100 CD2 TYR A 17 2.891 -4.960 3.529 1.00 0.00 C ATOM 101 CE1 TYR A 17 3.501 -5.681 6.166 1.00 0.00 C ATOM 102 CE2 TYR A 17 1.916 -5.568 4.326 1.00 0.00 C ATOM 103 CZ TYR A 17 2.221 -5.931 5.648 1.00 0.00 C ATOM 104 OH TYR A 17 1.265 -6.534 6.438 1.00 0.00 O ATOM 0 H TYR A 17 3.634 -1.989 2.034 1.00 0.00 H new ATOM 0 HA TYR A 17 5.375 -2.308 4.447 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.034 -4.297 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.198 -4.450 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.459 -4.879 5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.660 -4.680 2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.736 -5.958 7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.931 -5.758 3.926 1.00 0.00 H new ATOM 0 HH TYR A 17 0.434 -6.633 5.928 1.00 0.00 H new ATOM 114 N ILE A 18 7.461 -2.292 2.677 1.00 0.00 N ATOM 115 CA ILE A 18 8.548 -1.739 1.809 1.00 0.00 C ATOM 116 C ILE A 18 9.504 -2.861 1.406 1.00 0.00 C ATOM 117 O ILE A 18 9.730 -3.802 2.142 1.00 0.00 O ATOM 118 CB ILE A 18 9.310 -0.629 2.554 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.085 0.224 1.536 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.293 -1.234 3.569 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.750 1.411 2.239 1.00 0.00 C ATOM 0 H ILE A 18 7.771 -2.955 3.387 1.00 0.00 H new ATOM 0 HA ILE A 18 8.105 -1.310 0.910 1.00 0.00 H new ATOM 0 HB ILE A 18 8.593 -0.009 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.841 -0.385 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.408 0.583 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.822 -0.433 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.743 -1.833 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.012 -1.866 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.296 2.008 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.986 2.028 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.442 1.044 2.997 1.00 0.00 H new ATOM 133 N ARG A 19 10.064 -2.759 0.235 1.00 0.00 N ATOM 134 CA ARG A 19 11.011 -3.802 -0.250 1.00 0.00 C ATOM 135 C ARG A 19 12.437 -3.412 0.148 1.00 0.00 C ATOM 136 O ARG A 19 12.734 -2.254 0.364 1.00 0.00 O ATOM 137 CB ARG A 19 10.908 -3.885 -1.771 1.00 0.00 C ATOM 138 CG ARG A 19 11.724 -5.071 -2.286 1.00 0.00 C ATOM 139 CD ARG A 19 11.365 -5.333 -3.752 1.00 0.00 C ATOM 140 NE ARG A 19 11.111 -4.040 -4.447 1.00 0.00 N ATOM 141 CZ ARG A 19 11.100 -3.993 -5.751 1.00 0.00 C ATOM 142 NH1 ARG A 19 11.302 -5.080 -6.444 1.00 0.00 N ATOM 143 NH2 ARG A 19 10.888 -2.860 -6.361 1.00 0.00 N ATOM 0 H ARG A 19 9.905 -1.989 -0.415 1.00 0.00 H new ATOM 0 HA ARG A 19 10.766 -4.768 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.865 -3.994 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.272 -2.961 -2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.790 -4.862 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.519 -5.957 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.177 -5.868 -4.245 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.481 -5.969 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 19 10.946 -3.192 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.468 -5.966 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.294 -5.044 -7.463 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.731 -2.010 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.879 -2.823 -7.380 1.00 0.00 H new ATOM 157 N ASN A 20 13.325 -4.365 0.246 1.00 0.00 N ATOM 158 CA ASN A 20 14.728 -4.033 0.632 1.00 0.00 C ATOM 159 C ASN A 20 15.326 -3.065 -0.390 1.00 0.00 C ATOM 160 O ASN A 20 16.386 -2.508 -0.186 1.00 0.00 O ATOM 161 CB ASN A 20 15.569 -5.310 0.674 1.00 0.00 C ATOM 162 CG ASN A 20 14.839 -6.376 1.491 1.00 0.00 C ATOM 163 OD1 ASN A 20 14.692 -6.243 2.689 1.00 0.00 O ATOM 164 ND2 ASN A 20 14.373 -7.435 0.890 1.00 0.00 N ATOM 0 H ASN A 20 13.142 -5.354 0.077 1.00 0.00 H new ATOM 0 HA ASN A 20 14.727 -3.568 1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 20 15.749 -5.673 -0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.543 -5.102 1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.885 -8.152 1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.497 -7.546 -0.116 1.00 0.00 H new ATOM 171 N ASN A 21 14.652 -2.857 -1.488 1.00 0.00 N ATOM 172 CA ASN A 21 15.174 -1.924 -2.523 1.00 0.00 C ATOM 173 C ASN A 21 14.675 -0.514 -2.210 1.00 0.00 C ATOM 174 O ASN A 21 14.944 0.429 -2.927 1.00 0.00 O ATOM 175 CB ASN A 21 14.650 -2.356 -3.890 1.00 0.00 C ATOM 176 CG ASN A 21 15.357 -3.638 -4.329 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.462 -3.913 -3.905 1.00 0.00 O ATOM 178 ND2 ASN A 21 14.763 -4.442 -5.168 1.00 0.00 N ATOM 0 H ASN A 21 13.759 -3.296 -1.712 1.00 0.00 H new ATOM 0 HA ASN A 21 16.264 -1.938 -2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.574 -2.520 -3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.820 -1.566 -4.622 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.226 -5.300 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.835 -4.212 -5.525 1.00 0.00 H new ATOM 185 N GLY A 22 13.946 -0.372 -1.138 1.00 0.00 N ATOM 186 CA GLY A 22 13.417 0.968 -0.760 1.00 0.00 C ATOM 187 C GLY A 22 12.134 1.248 -1.545 1.00 0.00 C ATOM 188 O GLY A 22 11.578 2.325 -1.481 1.00 0.00 O ATOM 0 H GLY A 22 13.693 -1.130 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.216 1.003 0.311 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.160 1.737 -0.970 1.00 0.00 H new ATOM 192 N TYR A 23 11.656 0.279 -2.282 1.00 0.00 N ATOM 193 CA TYR A 23 10.404 0.484 -3.070 1.00 0.00 C ATOM 194 C TYR A 23 9.205 0.217 -2.155 1.00 0.00 C ATOM 195 O TYR A 23 9.204 -0.719 -1.383 1.00 0.00 O ATOM 196 CB TYR A 23 10.388 -0.508 -4.258 1.00 0.00 C ATOM 197 CG TYR A 23 10.892 0.162 -5.521 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.254 0.451 -5.663 1.00 0.00 C ATOM 199 CD2 TYR A 23 9.995 0.490 -6.548 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.720 1.065 -6.834 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.461 1.104 -7.716 1.00 0.00 C ATOM 202 CZ TYR A 23 11.822 1.392 -7.859 1.00 0.00 C ATOM 203 OH TYR A 23 12.282 1.998 -9.011 1.00 0.00 O ATOM 0 H TYR A 23 12.078 -0.645 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 23 10.356 1.503 -3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.010 -1.372 -4.025 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.375 -0.878 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.945 0.201 -4.872 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.944 0.269 -6.437 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.771 1.286 -6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.770 1.355 -8.507 1.00 0.00 H new ATOM 0 HH TYR A 23 11.531 2.156 -9.620 1.00 0.00 H new ATOM 213 N TYR A 24 8.183 1.028 -2.232 1.00 0.00 N ATOM 214 CA TYR A 24 6.998 0.801 -1.359 1.00 0.00 C ATOM 215 C TYR A 24 6.091 -0.248 -2.001 1.00 0.00 C ATOM 216 O TYR A 24 6.104 -0.446 -3.199 1.00 0.00 O ATOM 217 CB TYR A 24 6.237 2.113 -1.176 1.00 0.00 C ATOM 218 CG TYR A 24 7.068 3.037 -0.316 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.333 2.698 1.018 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.587 4.222 -0.853 1.00 0.00 C ATOM 221 CE1 TYR A 24 8.113 3.542 1.812 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.368 5.066 -0.056 1.00 0.00 C ATOM 223 CZ TYR A 24 8.632 4.725 1.276 1.00 0.00 C ATOM 224 OH TYR A 24 9.397 5.560 2.062 1.00 0.00 O ATOM 0 H TYR A 24 8.119 1.831 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 24 7.324 0.443 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.039 2.573 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.271 1.927 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.934 1.784 1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.385 4.484 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.315 3.281 2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.767 5.981 -0.468 1.00 0.00 H new ATOM 0 HH TYR A 24 9.868 6.204 1.493 1.00 0.00 H new ATOM 234 N CYS A 25 5.315 -0.935 -1.208 1.00 0.00 N ATOM 235 CA CYS A 25 4.418 -1.988 -1.765 1.00 0.00 C ATOM 236 C CYS A 25 3.173 -2.128 -0.885 1.00 0.00 C ATOM 237 O CYS A 25 3.265 -2.227 0.321 1.00 0.00 O ATOM 238 CB CYS A 25 5.177 -3.317 -1.790 1.00 0.00 C ATOM 239 SG CYS A 25 6.064 -3.534 -0.226 1.00 0.00 S ATOM 0 H CYS A 25 5.263 -0.813 -0.197 1.00 0.00 H new ATOM 0 HA CYS A 25 4.110 -1.713 -2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.482 -4.142 -1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.879 -3.332 -2.624 1.00 0.00 H new ATOM 0 HG CYS A 25 6.707 -4.663 -0.245 1.00 0.00 H new ATOM 245 N TYR A 26 2.007 -2.150 -1.485 1.00 0.00 N ATOM 246 CA TYR A 26 0.746 -2.300 -0.690 1.00 0.00 C ATOM 247 C TYR A 26 0.255 -3.740 -0.800 1.00 0.00 C ATOM 248 O TYR A 26 0.374 -4.365 -1.834 1.00 0.00 O ATOM 249 CB TYR A 26 -0.328 -1.356 -1.233 1.00 0.00 C ATOM 250 CG TYR A 26 -1.538 -1.397 -0.326 1.00 0.00 C ATOM 251 CD1 TYR A 26 -2.510 -2.389 -0.504 1.00 0.00 C ATOM 252 CD2 TYR A 26 -1.685 -0.446 0.693 1.00 0.00 C ATOM 253 CE1 TYR A 26 -3.629 -2.430 0.335 1.00 0.00 C ATOM 254 CE2 TYR A 26 -2.805 -0.488 1.533 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.777 -1.479 1.354 1.00 0.00 C ATOM 256 OH TYR A 26 -4.879 -1.523 2.183 1.00 0.00 O ATOM 0 H TYR A 26 1.874 -2.070 -2.493 1.00 0.00 H new ATOM 0 HA TYR A 26 0.945 -2.053 0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.062 -0.340 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.608 -1.649 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.396 -3.122 -1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.935 0.319 0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.379 -3.195 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.919 0.244 2.319 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.899 -2.382 2.655 1.00 0.00 H new ATOM 266 N ARG A 27 -0.298 -4.272 0.261 1.00 0.00 N ATOM 267 CA ARG A 27 -0.804 -5.684 0.222 1.00 0.00 C ATOM 268 C ARG A 27 -2.323 -5.677 0.066 1.00 0.00 C ATOM 269 O ARG A 27 -3.041 -5.157 0.896 1.00 0.00 O ATOM 270 CB ARG A 27 -0.429 -6.404 1.524 1.00 0.00 C ATOM 271 CG ARG A 27 -1.015 -7.831 1.518 1.00 0.00 C ATOM 272 CD ARG A 27 -0.169 -8.762 2.404 1.00 0.00 C ATOM 273 NE ARG A 27 0.871 -9.420 1.566 1.00 0.00 N ATOM 274 CZ ARG A 27 1.894 -9.996 2.131 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.009 -9.992 3.431 1.00 0.00 N ATOM 276 NH2 ARG A 27 2.801 -10.576 1.395 1.00 0.00 N ATOM 0 H ARG A 27 -0.422 -3.793 1.153 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.352 -6.205 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.655 -6.446 1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.810 -5.848 2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.043 -7.810 1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.043 -8.215 0.498 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.300 -8.193 3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.804 -9.513 2.874 1.00 0.00 H new ATOM 0 HE ARG A 27 0.783 -9.420 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.298 -9.538 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.810 -10.443 3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.709 -10.578 0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.603 -11.028 1.835 1.00 0.00 H new ATOM 290 N ASP A 28 -2.817 -6.240 -1.003 1.00 0.00 N ATOM 291 CA ASP A 28 -4.290 -6.254 -1.218 1.00 0.00 C ATOM 292 C ASP A 28 -4.950 -7.282 -0.277 1.00 0.00 C ATOM 293 O ASP A 28 -4.351 -8.286 0.056 1.00 0.00 O ATOM 294 CB ASP A 28 -4.579 -6.633 -2.670 1.00 0.00 C ATOM 295 CG ASP A 28 -3.907 -5.619 -3.599 1.00 0.00 C ATOM 296 OD1 ASP A 28 -2.918 -5.036 -3.189 1.00 0.00 O ATOM 297 OD2 ASP A 28 -4.393 -5.445 -4.704 1.00 0.00 O ATOM 0 H ASP A 28 -2.265 -6.689 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.697 -5.265 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.207 -7.636 -2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.654 -6.649 -2.847 1.00 0.00 H new ATOM 302 N PRO A 29 -6.175 -7.046 0.146 1.00 0.00 N ATOM 303 CA PRO A 29 -6.912 -7.979 1.055 1.00 0.00 C ATOM 304 C PRO A 29 -7.654 -9.094 0.299 1.00 0.00 C ATOM 305 O PRO A 29 -8.368 -9.879 0.890 1.00 0.00 O ATOM 306 CB PRO A 29 -7.924 -7.048 1.713 1.00 0.00 C ATOM 307 CG PRO A 29 -8.299 -6.112 0.614 1.00 0.00 C ATOM 308 CD PRO A 29 -7.007 -5.865 -0.174 1.00 0.00 C ATOM 0 HA PRO A 29 -6.242 -8.501 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -8.789 -7.595 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.490 -6.518 2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.071 -6.544 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.700 -5.180 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.198 -5.787 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.522 -4.938 0.131 1.00 0.00 H new ATOM 316 N ARG A 30 -7.522 -9.152 -0.999 1.00 0.00 N ATOM 317 CA ARG A 30 -8.254 -10.198 -1.777 1.00 0.00 C ATOM 318 C ARG A 30 -7.435 -11.494 -1.825 1.00 0.00 C ATOM 319 O ARG A 30 -7.918 -12.549 -1.464 1.00 0.00 O ATOM 320 CB ARG A 30 -8.499 -9.687 -3.205 1.00 0.00 C ATOM 321 CG ARG A 30 -9.664 -10.465 -3.865 1.00 0.00 C ATOM 322 CD ARG A 30 -11.014 -9.779 -3.593 1.00 0.00 C ATOM 323 NE ARG A 30 -11.428 -10.019 -2.181 1.00 0.00 N ATOM 324 CZ ARG A 30 -12.387 -9.306 -1.654 1.00 0.00 C ATOM 325 NH1 ARG A 30 -12.972 -8.378 -2.359 1.00 0.00 N ATOM 326 NH2 ARG A 30 -12.763 -9.523 -0.424 1.00 0.00 N ATOM 0 H ARG A 30 -6.942 -8.524 -1.554 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.208 -10.405 -1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.731 -8.622 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.593 -9.803 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.497 -10.532 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.687 -11.485 -3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.932 -8.708 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.772 -10.165 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.963 -10.739 -1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.681 -8.209 -3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.721 -7.821 -1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.308 -10.250 0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.512 -8.965 -0.014 1.00 0.00 H new ATOM 340 N THR A 31 -6.207 -11.424 -2.283 1.00 0.00 N ATOM 341 CA THR A 31 -5.352 -12.654 -2.374 1.00 0.00 C ATOM 342 C THR A 31 -4.117 -12.496 -1.478 1.00 0.00 C ATOM 343 O THR A 31 -3.484 -13.466 -1.109 1.00 0.00 O ATOM 344 CB THR A 31 -4.926 -12.855 -3.831 1.00 0.00 C ATOM 345 OG1 THR A 31 -3.842 -13.769 -3.887 1.00 0.00 O ATOM 346 CG2 THR A 31 -4.505 -11.518 -4.440 1.00 0.00 C ATOM 0 H THR A 31 -5.757 -10.565 -2.599 1.00 0.00 H new ATOM 0 HA THR A 31 -5.916 -13.523 -2.037 1.00 0.00 H new ATOM 0 HB THR A 31 -5.767 -13.255 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.188 -14.682 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.203 -11.669 -5.476 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.343 -10.822 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.668 -11.108 -3.875 1.00 0.00 H new ATOM 354 N GLY A 32 -3.779 -11.287 -1.105 1.00 0.00 N ATOM 355 CA GLY A 32 -2.595 -11.075 -0.211 1.00 0.00 C ATOM 356 C GLY A 32 -1.346 -10.750 -1.037 1.00 0.00 C ATOM 357 O GLY A 32 -0.254 -10.661 -0.506 1.00 0.00 O ATOM 0 H GLY A 32 -4.271 -10.437 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.799 -10.261 0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.419 -11.969 0.387 1.00 0.00 H new ATOM 361 N LYS A 33 -1.482 -10.568 -2.322 1.00 0.00 N ATOM 362 CA LYS A 33 -0.284 -10.245 -3.152 1.00 0.00 C ATOM 363 C LYS A 33 0.162 -8.809 -2.861 1.00 0.00 C ATOM 364 O LYS A 33 -0.374 -8.149 -1.990 1.00 0.00 O ATOM 365 CB LYS A 33 -0.638 -10.400 -4.645 1.00 0.00 C ATOM 366 CG LYS A 33 -0.381 -11.842 -5.117 1.00 0.00 C ATOM 367 CD LYS A 33 -0.984 -12.849 -4.122 1.00 0.00 C ATOM 368 CE LYS A 33 -1.232 -14.188 -4.825 1.00 0.00 C ATOM 369 NZ LYS A 33 -1.659 -15.206 -3.824 1.00 0.00 N ATOM 0 H LYS A 33 -2.364 -10.628 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 33 0.530 -10.927 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.685 -10.141 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.043 -9.706 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.818 -11.991 -6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.691 -12.014 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.308 -12.990 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.919 -12.461 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.999 -14.072 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.325 -14.518 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.761 -16.130 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.944 -15.275 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.570 -14.925 -3.410 1.00 0.00 H new ATOM 383 N GLU A 34 1.148 -8.329 -3.579 1.00 0.00 N ATOM 384 CA GLU A 34 1.658 -6.940 -3.355 1.00 0.00 C ATOM 385 C GLU A 34 1.480 -6.111 -4.627 1.00 0.00 C ATOM 386 O GLU A 34 1.216 -6.636 -5.690 1.00 0.00 O ATOM 387 CB GLU A 34 3.146 -7.000 -3.012 1.00 0.00 C ATOM 388 CG GLU A 34 3.361 -7.895 -1.788 1.00 0.00 C ATOM 389 CD GLU A 34 4.856 -8.168 -1.619 1.00 0.00 C ATOM 390 OE1 GLU A 34 5.601 -7.211 -1.491 1.00 0.00 O ATOM 391 OE2 GLU A 34 5.230 -9.330 -1.624 1.00 0.00 O ATOM 0 H GLU A 34 1.626 -8.845 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 34 1.101 -6.481 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.709 -7.388 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.523 -5.997 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.965 -7.411 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.820 -8.833 -1.909 1.00 0.00 H new ATOM 398 N PHE A 35 1.629 -4.814 -4.520 1.00 0.00 N ATOM 399 CA PHE A 35 1.477 -3.922 -5.715 1.00 0.00 C ATOM 400 C PHE A 35 2.628 -2.910 -5.730 1.00 0.00 C ATOM 401 O PHE A 35 2.784 -2.116 -4.824 1.00 0.00 O ATOM 402 CB PHE A 35 0.125 -3.180 -5.633 1.00 0.00 C ATOM 403 CG PHE A 35 -0.949 -3.980 -6.344 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.427 -5.169 -5.781 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.456 -3.533 -7.570 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.410 -5.912 -6.445 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.442 -4.275 -8.234 1.00 0.00 C ATOM 408 CZ PHE A 35 -2.918 -5.465 -7.671 1.00 0.00 C ATOM 0 H PHE A 35 1.851 -4.330 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 35 1.502 -4.515 -6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.153 -3.028 -4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.215 -2.193 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.037 -5.513 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.087 -2.616 -8.004 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.777 -6.831 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.834 -3.929 -9.179 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.677 -6.038 -8.182 1.00 0.00 H new ATOM 418 N GLY A 36 3.428 -2.930 -6.762 1.00 0.00 N ATOM 419 CA GLY A 36 4.558 -1.965 -6.845 1.00 0.00 C ATOM 420 C GLY A 36 3.993 -0.555 -7.007 1.00 0.00 C ATOM 421 O GLY A 36 3.260 -0.275 -7.935 1.00 0.00 O ATOM 0 H GLY A 36 3.347 -3.573 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.171 -2.024 -5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.203 -2.212 -7.688 1.00 0.00 H new ATOM 425 N LEU A 37 4.320 0.330 -6.104 1.00 0.00 N ATOM 426 CA LEU A 37 3.799 1.730 -6.181 1.00 0.00 C ATOM 427 C LEU A 37 4.911 2.657 -6.677 1.00 0.00 C ATOM 428 O LEU A 37 4.749 3.398 -7.625 1.00 0.00 O ATOM 429 CB LEU A 37 3.359 2.187 -4.780 1.00 0.00 C ATOM 430 CG LEU A 37 2.653 1.044 -4.045 1.00 0.00 C ATOM 431 CD1 LEU A 37 2.240 1.513 -2.645 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.410 0.610 -4.836 1.00 0.00 C ATOM 0 H LEU A 37 4.931 0.143 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 37 2.952 1.765 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.227 2.515 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.690 3.043 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 37 3.333 0.197 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.738 0.699 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.126 1.812 -2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.562 2.362 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.910 -0.203 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.727 1.454 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.710 0.271 -5.828 1.00 0.00 H new ATOM 444 N GLY A 38 6.037 2.620 -6.024 1.00 0.00 N ATOM 445 CA GLY A 38 7.177 3.493 -6.419 1.00 0.00 C ATOM 446 C GLY A 38 8.004 3.805 -5.172 1.00 0.00 C ATOM 447 O GLY A 38 7.718 3.323 -4.095 1.00 0.00 O ATOM 0 H GLY A 38 6.219 2.015 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.793 2.995 -7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.810 4.415 -6.870 1.00 0.00 H new ATOM 451 N ARG A 39 9.027 4.605 -5.303 1.00 0.00 N ATOM 452 CA ARG A 39 9.872 4.941 -4.116 1.00 0.00 C ATOM 453 C ARG A 39 9.370 6.241 -3.486 1.00 0.00 C ATOM 454 O ARG A 39 10.000 6.803 -2.612 1.00 0.00 O ATOM 455 CB ARG A 39 11.328 5.140 -4.560 1.00 0.00 C ATOM 456 CG ARG A 39 11.800 3.983 -5.491 1.00 0.00 C ATOM 457 CD ARG A 39 12.353 4.554 -6.806 1.00 0.00 C ATOM 458 NE ARG A 39 11.245 5.176 -7.583 1.00 0.00 N ATOM 459 CZ ARG A 39 11.517 5.987 -8.568 1.00 0.00 C ATOM 460 NH1 ARG A 39 12.758 6.250 -8.875 1.00 0.00 N ATOM 461 NH2 ARG A 39 10.546 6.537 -9.245 1.00 0.00 N ATOM 0 H ARG A 39 9.316 5.041 -6.179 1.00 0.00 H new ATOM 0 HA ARG A 39 9.813 4.128 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.424 6.092 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.974 5.191 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.568 3.393 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.967 3.311 -5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.125 5.295 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.821 3.762 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 39 10.275 4.968 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.516 5.821 -8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.969 6.884 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.576 6.332 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.757 7.171 -10.015 1.00 0.00 H new ATOM 475 N ASP A 40 8.250 6.733 -3.935 1.00 0.00 N ATOM 476 CA ASP A 40 7.712 8.013 -3.379 1.00 0.00 C ATOM 477 C ASP A 40 6.719 7.722 -2.254 1.00 0.00 C ATOM 478 O ASP A 40 5.581 7.364 -2.491 1.00 0.00 O ATOM 479 CB ASP A 40 7.000 8.781 -4.491 1.00 0.00 C ATOM 480 CG ASP A 40 8.014 9.173 -5.568 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.989 9.822 -5.229 1.00 0.00 O ATOM 482 OD2 ASP A 40 7.801 8.812 -6.714 1.00 0.00 O ATOM 0 H ASP A 40 7.680 6.305 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 40 8.536 8.606 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.211 8.166 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.522 9.672 -4.084 1.00 0.00 H new ATOM 487 N ARG A 41 7.138 7.887 -1.028 1.00 0.00 N ATOM 488 CA ARG A 41 6.215 7.636 0.116 1.00 0.00 C ATOM 489 C ARG A 41 5.019 8.580 0.007 1.00 0.00 C ATOM 490 O ARG A 41 4.031 8.429 0.693 1.00 0.00 O ATOM 491 CB ARG A 41 6.948 7.887 1.438 1.00 0.00 C ATOM 492 CG ARG A 41 7.652 9.245 1.390 1.00 0.00 C ATOM 493 CD ARG A 41 8.120 9.633 2.795 1.00 0.00 C ATOM 494 NE ARG A 41 9.138 8.658 3.278 1.00 0.00 N ATOM 495 CZ ARG A 41 9.921 8.971 4.274 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.826 10.147 4.834 1.00 0.00 N ATOM 497 NH2 ARG A 41 10.801 8.111 4.710 1.00 0.00 N ATOM 0 H ARG A 41 8.079 8.185 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 41 5.873 6.601 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.241 7.863 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.676 7.096 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.504 9.200 0.712 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.974 10.004 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.543 10.637 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.271 9.654 3.478 1.00 0.00 H new ATOM 0 HE ARG A 41 9.223 7.746 2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.140 10.820 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.438 10.392 5.613 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.877 7.193 4.272 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.412 8.357 5.489 1.00 0.00 H new ATOM 511 N ARG A 42 5.106 9.554 -0.857 1.00 0.00 N ATOM 512 CA ARG A 42 3.987 10.517 -1.029 1.00 0.00 C ATOM 513 C ARG A 42 2.870 9.851 -1.820 1.00 0.00 C ATOM 514 O ARG A 42 1.731 9.803 -1.397 1.00 0.00 O ATOM 515 CB ARG A 42 4.488 11.747 -1.791 1.00 0.00 C ATOM 516 CG ARG A 42 5.596 12.435 -0.979 1.00 0.00 C ATOM 517 CD ARG A 42 5.030 12.986 0.349 1.00 0.00 C ATOM 518 NE ARG A 42 5.614 14.337 0.639 1.00 0.00 N ATOM 519 CZ ARG A 42 6.899 14.565 0.536 1.00 0.00 C ATOM 520 NH1 ARG A 42 7.728 13.595 0.265 1.00 0.00 N ATOM 521 NH2 ARG A 42 7.360 15.770 0.743 1.00 0.00 N ATOM 0 H ARG A 42 5.914 9.723 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 42 3.612 10.823 -0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.868 11.452 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.665 12.441 -1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.398 11.726 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.031 13.248 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.944 13.056 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.260 12.300 1.164 1.00 0.00 H new ATOM 0 HE ARG A 42 4.995 15.096 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.377 12.647 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.727 13.785 0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.720 16.527 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.360 15.954 0.664 1.00 0.00 H new ATOM 535 N ILE A 43 3.192 9.339 -2.973 1.00 0.00 N ATOM 536 CA ILE A 43 2.161 8.678 -3.809 1.00 0.00 C ATOM 537 C ILE A 43 1.831 7.308 -3.211 1.00 0.00 C ATOM 538 O ILE A 43 0.696 6.876 -3.216 1.00 0.00 O ATOM 539 CB ILE A 43 2.699 8.526 -5.246 1.00 0.00 C ATOM 540 CG1 ILE A 43 2.569 9.862 -5.986 1.00 0.00 C ATOM 541 CG2 ILE A 43 1.908 7.454 -6.008 1.00 0.00 C ATOM 542 CD1 ILE A 43 3.393 10.935 -5.270 1.00 0.00 C ATOM 0 H ILE A 43 4.131 9.351 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 43 1.252 9.279 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 43 3.746 8.226 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.913 9.753 -7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.522 10.163 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.302 7.361 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.002 6.498 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.857 7.740 -6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.297 11.882 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.029 11.052 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.441 10.636 -5.250 1.00 0.00 H new ATOM 554 N ALA A 44 2.812 6.621 -2.704 1.00 0.00 N ATOM 555 CA ALA A 44 2.553 5.278 -2.118 1.00 0.00 C ATOM 556 C ALA A 44 1.613 5.414 -0.909 1.00 0.00 C ATOM 557 O ALA A 44 0.563 4.806 -0.864 1.00 0.00 O ATOM 558 CB ALA A 44 3.894 4.655 -1.695 1.00 0.00 C ATOM 0 H ALA A 44 3.783 6.931 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 44 2.074 4.632 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.717 3.670 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.542 4.559 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.375 5.294 -0.955 1.00 0.00 H new ATOM 564 N ILE A 45 1.978 6.200 0.067 1.00 0.00 N ATOM 565 CA ILE A 45 1.089 6.359 1.259 1.00 0.00 C ATOM 566 C ILE A 45 -0.299 6.822 0.799 1.00 0.00 C ATOM 567 O ILE A 45 -1.310 6.377 1.303 1.00 0.00 O ATOM 568 CB ILE A 45 1.689 7.397 2.222 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.962 6.821 2.857 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.671 7.734 3.322 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.662 7.897 3.693 1.00 0.00 C ATOM 0 H ILE A 45 2.845 6.736 0.094 1.00 0.00 H new ATOM 0 HA ILE A 45 1.002 5.403 1.776 1.00 0.00 H new ATOM 0 HB ILE A 45 1.933 8.305 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.711 5.967 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.634 6.458 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.100 8.470 4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.232 8.142 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.422 6.829 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.564 7.480 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.929 8.738 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.991 8.239 4.481 1.00 0.00 H new ATOM 583 N THR A 46 -0.353 7.721 -0.147 1.00 0.00 N ATOM 584 CA THR A 46 -1.671 8.221 -0.633 1.00 0.00 C ATOM 585 C THR A 46 -2.506 7.069 -1.196 1.00 0.00 C ATOM 586 O THR A 46 -3.662 6.899 -0.856 1.00 0.00 O ATOM 587 CB THR A 46 -1.442 9.263 -1.731 1.00 0.00 C ATOM 588 OG1 THR A 46 -0.789 10.396 -1.177 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.785 9.689 -2.330 1.00 0.00 C ATOM 0 H THR A 46 0.461 8.131 -0.605 1.00 0.00 H new ATOM 0 HA THR A 46 -2.208 8.670 0.203 1.00 0.00 H new ATOM 0 HB THR A 46 -0.821 8.830 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.152 10.397 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.616 10.431 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.285 8.820 -2.757 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.411 10.120 -1.549 1.00 0.00 H new ATOM 597 N GLU A 47 -1.938 6.293 -2.072 1.00 0.00 N ATOM 598 CA GLU A 47 -2.708 5.173 -2.679 1.00 0.00 C ATOM 599 C GLU A 47 -3.096 4.151 -1.594 1.00 0.00 C ATOM 600 O GLU A 47 -4.144 3.540 -1.655 1.00 0.00 O ATOM 601 CB GLU A 47 -1.858 4.541 -3.808 1.00 0.00 C ATOM 602 CG GLU A 47 -1.114 3.287 -3.333 1.00 0.00 C ATOM 603 CD GLU A 47 -2.071 2.091 -3.309 1.00 0.00 C ATOM 604 OE1 GLU A 47 -2.918 2.015 -4.185 1.00 0.00 O ATOM 605 OE2 GLU A 47 -1.942 1.271 -2.415 1.00 0.00 O ATOM 0 H GLU A 47 -0.975 6.384 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.638 5.538 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.504 4.283 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.138 5.273 -4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.274 3.079 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.701 3.453 -2.338 1.00 0.00 H new ATOM 612 N ALA A 48 -2.270 3.977 -0.596 1.00 0.00 N ATOM 613 CA ALA A 48 -2.607 3.011 0.492 1.00 0.00 C ATOM 614 C ALA A 48 -3.925 3.437 1.145 1.00 0.00 C ATOM 615 O ALA A 48 -4.798 2.630 1.400 1.00 0.00 O ATOM 616 CB ALA A 48 -1.498 3.026 1.543 1.00 0.00 C ATOM 0 H ALA A 48 -1.379 4.461 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.704 2.007 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.741 2.322 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.554 2.739 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.407 4.028 1.961 1.00 0.00 H new ATOM 622 N ILE A 49 -4.067 4.704 1.423 1.00 0.00 N ATOM 623 CA ILE A 49 -5.320 5.200 2.065 1.00 0.00 C ATOM 624 C ILE A 49 -6.534 4.829 1.211 1.00 0.00 C ATOM 625 O ILE A 49 -7.556 4.417 1.722 1.00 0.00 O ATOM 626 CB ILE A 49 -5.244 6.724 2.220 1.00 0.00 C ATOM 627 CG1 ILE A 49 -4.196 7.067 3.280 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.609 7.275 2.657 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.840 8.552 3.186 1.00 0.00 C ATOM 0 H ILE A 49 -3.367 5.421 1.233 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.426 4.737 3.046 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.968 7.171 1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.580 6.837 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.304 6.458 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.547 8.358 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.359 7.028 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.892 6.831 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.093 8.796 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.438 8.768 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.735 9.152 3.353 1.00 0.00 H new ATOM 641 N GLN A 50 -6.438 4.970 -0.080 1.00 0.00 N ATOM 642 CA GLN A 50 -7.600 4.624 -0.947 1.00 0.00 C ATOM 643 C GLN A 50 -7.975 3.164 -0.715 1.00 0.00 C ATOM 644 O GLN A 50 -9.135 2.808 -0.657 1.00 0.00 O ATOM 645 CB GLN A 50 -7.223 4.823 -2.413 1.00 0.00 C ATOM 646 CG GLN A 50 -6.566 6.190 -2.576 1.00 0.00 C ATOM 647 CD GLN A 50 -6.378 6.498 -4.064 1.00 0.00 C ATOM 648 OE1 GLN A 50 -6.353 7.647 -4.459 1.00 0.00 O ATOM 649 NE2 GLN A 50 -6.242 5.516 -4.912 1.00 0.00 N ATOM 0 H GLN A 50 -5.611 5.308 -0.572 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.445 5.268 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.541 4.037 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.110 4.754 -3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.183 6.959 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.602 6.204 -2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.263 4.551 -4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.115 5.713 -5.905 1.00 0.00 H new ATOM 658 N ALA A 51 -6.997 2.319 -0.566 1.00 0.00 N ATOM 659 CA ALA A 51 -7.291 0.881 -0.320 1.00 0.00 C ATOM 660 C ALA A 51 -7.999 0.748 1.030 1.00 0.00 C ATOM 661 O ALA A 51 -8.878 -0.071 1.209 1.00 0.00 O ATOM 662 CB ALA A 51 -5.982 0.087 -0.289 1.00 0.00 C ATOM 0 H ALA A 51 -6.007 2.561 -0.604 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.927 0.492 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.199 -0.966 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.469 0.193 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.344 0.468 0.509 1.00 0.00 H new ATOM 668 N ASN A 52 -7.613 1.555 1.982 1.00 0.00 N ATOM 669 CA ASN A 52 -8.244 1.490 3.330 1.00 0.00 C ATOM 670 C ASN A 52 -9.705 1.953 3.260 1.00 0.00 C ATOM 671 O ASN A 52 -10.568 1.404 3.917 1.00 0.00 O ATOM 672 CB ASN A 52 -7.469 2.398 4.289 1.00 0.00 C ATOM 673 CG ASN A 52 -6.178 1.705 4.736 1.00 0.00 C ATOM 674 OD1 ASN A 52 -6.179 0.526 5.030 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.071 2.395 4.805 1.00 0.00 N ATOM 0 H ASN A 52 -6.883 2.260 1.882 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.219 0.460 3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.234 3.343 3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.084 2.634 5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.207 1.944 5.106 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.071 3.385 4.558 1.00 0.00 H new ATOM 682 N ILE A 53 -9.990 2.964 2.488 1.00 0.00 N ATOM 683 CA ILE A 53 -11.395 3.459 2.403 1.00 0.00 C ATOM 684 C ILE A 53 -12.264 2.415 1.704 1.00 0.00 C ATOM 685 O ILE A 53 -13.411 2.215 2.050 1.00 0.00 O ATOM 686 CB ILE A 53 -11.434 4.766 1.608 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.540 5.803 2.290 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.871 5.291 1.558 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.414 7.036 1.395 1.00 0.00 C ATOM 0 H ILE A 53 -9.315 3.468 1.914 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.775 3.635 3.409 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.077 4.585 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.961 6.083 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.555 5.379 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.899 6.222 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.511 4.553 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.228 5.472 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.777 7.775 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -9.973 6.749 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.402 7.464 1.225 1.00 0.00 H new ATOM 701 N GLU A 54 -11.729 1.748 0.723 1.00 0.00 N ATOM 702 CA GLU A 54 -12.526 0.720 0.004 1.00 0.00 C ATOM 703 C GLU A 54 -12.754 -0.478 0.925 1.00 0.00 C ATOM 704 O GLU A 54 -13.640 -1.281 0.709 1.00 0.00 O ATOM 705 CB GLU A 54 -11.761 0.268 -1.237 1.00 0.00 C ATOM 706 CG GLU A 54 -11.775 1.390 -2.275 1.00 0.00 C ATOM 707 CD GLU A 54 -11.075 0.918 -3.550 1.00 0.00 C ATOM 708 OE1 GLU A 54 -10.424 -0.111 -3.497 1.00 0.00 O ATOM 709 OE2 GLU A 54 -11.201 1.596 -4.556 1.00 0.00 O ATOM 0 H GLU A 54 -10.773 1.870 0.388 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.487 1.140 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.734 0.014 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.216 -0.632 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.802 1.680 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.273 2.273 -1.878 1.00 0.00 H new ATOM 716 N LEU A 55 -11.956 -0.608 1.948 1.00 0.00 N ATOM 717 CA LEU A 55 -12.123 -1.759 2.881 1.00 0.00 C ATOM 718 C LEU A 55 -13.508 -1.680 3.537 1.00 0.00 C ATOM 719 O LEU A 55 -14.205 -2.668 3.661 1.00 0.00 O ATOM 720 CB LEU A 55 -11.003 -1.707 3.955 1.00 0.00 C ATOM 721 CG LEU A 55 -10.303 -3.076 4.121 1.00 0.00 C ATOM 722 CD1 LEU A 55 -11.335 -4.184 4.399 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.493 -3.415 2.857 1.00 0.00 C ATOM 0 H LEU A 55 -11.196 0.032 2.179 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.047 -2.701 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.266 -0.954 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.429 -1.398 4.910 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.624 -3.014 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.822 -5.139 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.879 -3.953 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.036 -4.246 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.005 -4.381 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.162 -3.458 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.738 -2.646 2.691 1.00 0.00 H new ATOM 735 N PHE A 56 -13.907 -0.513 3.957 1.00 0.00 N ATOM 736 CA PHE A 56 -15.242 -0.368 4.602 1.00 0.00 C ATOM 737 C PHE A 56 -16.318 -0.280 3.522 1.00 0.00 C ATOM 738 O PHE A 56 -17.472 -0.023 3.800 1.00 0.00 O ATOM 739 CB PHE A 56 -15.268 0.909 5.446 1.00 0.00 C ATOM 740 CG PHE A 56 -14.159 0.862 6.467 1.00 0.00 C ATOM 741 CD1 PHE A 56 -12.882 1.333 6.139 1.00 0.00 C ATOM 742 CD2 PHE A 56 -14.407 0.343 7.744 1.00 0.00 C ATOM 743 CE1 PHE A 56 -11.854 1.286 7.086 1.00 0.00 C ATOM 744 CE2 PHE A 56 -13.379 0.295 8.692 1.00 0.00 C ATOM 745 CZ PHE A 56 -12.102 0.767 8.363 1.00 0.00 C ATOM 0 H PHE A 56 -13.366 0.348 3.882 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.431 -1.230 5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -15.150 1.783 4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -16.232 1.008 5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.691 1.733 5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.392 -0.020 7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.869 1.650 6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -13.570 -0.106 9.677 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.308 0.731 9.094 1.00 0.00 H new ATOM 755 N SER A 57 -15.949 -0.486 2.288 1.00 0.00 N ATOM 756 CA SER A 57 -16.952 -0.404 1.190 1.00 0.00 C ATOM 757 C SER A 57 -17.736 0.899 1.333 1.00 0.00 C ATOM 758 O SER A 57 -18.805 1.061 0.779 1.00 0.00 O ATOM 759 CB SER A 57 -17.907 -1.595 1.277 1.00 0.00 C ATOM 760 OG SER A 57 -19.025 -1.361 0.431 1.00 0.00 O ATOM 0 H SER A 57 -14.998 -0.707 1.993 1.00 0.00 H new ATOM 0 HA SER A 57 -16.447 -0.425 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.395 -2.510 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 57 -18.238 -1.737 2.306 1.00 0.00 H new ATOM 0 HG SER A 57 -18.999 -0.438 0.102 1.00 0.00 H new ATOM 766 N GLY A 58 -17.204 1.829 2.077 1.00 0.00 N ATOM 767 CA GLY A 58 -17.904 3.129 2.266 1.00 0.00 C ATOM 768 C GLY A 58 -19.140 2.921 3.141 1.00 0.00 C ATOM 769 O GLY A 58 -19.364 3.637 4.096 1.00 0.00 O ATOM 0 H GLY A 58 -16.312 1.743 2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.233 3.851 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.195 3.541 1.300 1.00 0.00 H new ATOM 773 N HIS A 59 -19.945 1.945 2.822 1.00 0.00 N ATOM 774 CA HIS A 59 -21.168 1.693 3.633 1.00 0.00 C ATOM 775 C HIS A 59 -21.729 0.312 3.290 1.00 0.00 C ATOM 776 O HIS A 59 -21.886 -0.537 4.146 1.00 0.00 O ATOM 777 CB HIS A 59 -22.214 2.764 3.316 1.00 0.00 C ATOM 778 CG HIS A 59 -22.522 2.745 1.843 1.00 0.00 C ATOM 779 ND1 HIS A 59 -23.741 2.308 1.350 1.00 0.00 N ATOM 780 CD2 HIS A 59 -21.779 3.104 0.744 1.00 0.00 C ATOM 781 CE1 HIS A 59 -23.697 2.415 0.010 1.00 0.00 C ATOM 782 NE2 HIS A 59 -22.523 2.894 -0.412 1.00 0.00 N ATOM 0 H HIS A 59 -19.808 1.311 2.034 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.919 1.730 4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -23.122 2.582 3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -21.844 3.747 3.608 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -20.771 3.490 0.774 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -24.512 2.146 -0.646 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -22.235 3.068 -1.375 1.00 0.00 H new TER 790 HIS A 59