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 15 ASN : amide:sc= -0.211 K(o=2.1,f=-1.2!) USER MOD Set 1.2: A 26 TYR OH : rot -179:sc= 2.14 USER MOD Set 1.3: A 52 ASN : amide:sc= 0.2 K(o=2.1,f=-3.1!) USER MOD Set 2.1: A 20 ASN : amide:sc= -1.07 K(o=-2.4,f=-6.8!) USER MOD Set 2.2: A 21 ASN : amide:sc= -1.33 K(o=-2.4,f=-3.4) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 CYS SG : rot 13:sc= 0.753 USER MOD Single : A 31 THR OG1 : rot 29:sc= 0.788! USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= -1.39 (180deg=-1.59) USER MOD Single : A 46 THR OG1 : rot 93:sc= 0.0706 USER MOD Single : A 50 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.0076) USER MOD Single : A 57 SER OG : rot -66:sc= 1.19 USER MOD Single : A 59 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.150 1.406 11.822 1.00 0.00 N ATOM 2 CA ASP A 11 4.780 2.849 11.822 1.00 0.00 C ATOM 3 C ASP A 11 4.213 3.226 10.452 1.00 0.00 C ATOM 4 O ASP A 11 3.636 4.279 10.279 1.00 0.00 O ATOM 5 CB ASP A 11 6.022 3.693 12.115 1.00 0.00 C ATOM 6 CG ASP A 11 6.482 3.440 13.551 1.00 0.00 C ATOM 7 OD1 ASP A 11 5.627 3.298 14.410 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.682 3.392 13.769 1.00 0.00 O ATOM 0 HA ASP A 11 4.028 3.035 12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.820 3.441 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.798 4.750 11.974 1.00 0.00 H new ATOM 13 N LEU A 12 4.378 2.372 9.477 1.00 0.00 N ATOM 14 CA LEU A 12 3.855 2.672 8.114 1.00 0.00 C ATOM 15 C LEU A 12 2.376 2.250 8.032 1.00 0.00 C ATOM 16 O LEU A 12 1.960 1.332 8.712 1.00 0.00 O ATOM 17 CB LEU A 12 4.676 1.877 7.094 1.00 0.00 C ATOM 18 CG LEU A 12 6.130 2.382 7.078 1.00 0.00 C ATOM 19 CD1 LEU A 12 6.976 1.448 6.202 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.196 3.820 6.521 1.00 0.00 C ATOM 0 H LEU A 12 4.855 1.475 9.568 1.00 0.00 H new ATOM 0 HA LEU A 12 3.934 3.739 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.654 0.816 7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.236 1.979 6.102 1.00 0.00 H new ATOM 0 HG LEU A 12 6.518 2.388 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.008 1.800 6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.943 0.438 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.579 1.442 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.231 4.161 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.805 3.834 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.599 4.481 7.149 1.00 0.00 H new ATOM 32 N PRO A 13 1.585 2.902 7.207 1.00 0.00 N ATOM 33 CA PRO A 13 0.141 2.563 7.054 1.00 0.00 C ATOM 34 C PRO A 13 -0.101 1.044 7.108 1.00 0.00 C ATOM 35 O PRO A 13 0.787 0.264 6.831 1.00 0.00 O ATOM 36 CB PRO A 13 -0.201 3.117 5.666 1.00 0.00 C ATOM 37 CG PRO A 13 0.714 4.289 5.474 1.00 0.00 C ATOM 38 CD PRO A 13 1.968 4.029 6.332 1.00 0.00 C ATOM 0 HA PRO A 13 -0.472 2.978 7.854 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.045 2.365 4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.246 3.420 5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.982 4.400 4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.224 5.214 5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.829 3.777 5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.241 4.909 6.914 1.00 0.00 H new ATOM 46 N PRO A 14 -1.294 0.626 7.457 1.00 0.00 N ATOM 47 CA PRO A 14 -1.638 -0.826 7.535 1.00 0.00 C ATOM 48 C PRO A 14 -1.611 -1.501 6.158 1.00 0.00 C ATOM 49 O PRO A 14 -1.917 -0.893 5.152 1.00 0.00 O ATOM 50 CB PRO A 14 -3.058 -0.838 8.125 1.00 0.00 C ATOM 51 CG PRO A 14 -3.623 0.498 7.778 1.00 0.00 C ATOM 52 CD PRO A 14 -2.446 1.471 7.815 1.00 0.00 C ATOM 0 HA PRO A 14 -0.920 -1.383 8.137 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.657 -1.644 7.700 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.037 -0.991 9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.086 0.482 6.791 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.396 0.792 8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.579 2.290 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.325 1.918 8.802 1.00 0.00 H new ATOM 60 N ASN A 15 -1.254 -2.756 6.117 1.00 0.00 N ATOM 61 CA ASN A 15 -1.213 -3.487 4.818 1.00 0.00 C ATOM 62 C ASN A 15 -0.129 -2.897 3.907 1.00 0.00 C ATOM 63 O ASN A 15 0.086 -3.375 2.810 1.00 0.00 O ATOM 64 CB ASN A 15 -2.582 -3.380 4.128 1.00 0.00 C ATOM 65 CG ASN A 15 -3.690 -3.390 5.182 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.533 -3.959 6.244 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.818 -2.781 4.930 1.00 0.00 N ATOM 0 H ASN A 15 -0.988 -3.309 6.932 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.978 -4.534 5.008 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.634 -2.463 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.717 -4.211 3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.565 -2.784 5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.951 -2.303 4.039 1.00 0.00 H new ATOM 74 N LEU A 16 0.555 -1.864 4.344 1.00 0.00 N ATOM 75 CA LEU A 16 1.622 -1.245 3.487 1.00 0.00 C ATOM 76 C LEU A 16 3.005 -1.618 4.019 1.00 0.00 C ATOM 77 O LEU A 16 3.247 -1.627 5.210 1.00 0.00 O ATOM 78 CB LEU A 16 1.467 0.285 3.494 1.00 0.00 C ATOM 79 CG LEU A 16 2.503 0.937 2.529 1.00 0.00 C ATOM 80 CD1 LEU A 16 1.858 2.094 1.760 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.702 1.487 3.319 1.00 0.00 C ATOM 0 H LEU A 16 0.422 -1.423 5.254 1.00 0.00 H new ATOM 0 HA LEU A 16 1.518 -1.619 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.456 0.556 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.610 0.667 4.505 1.00 0.00 H new ATOM 0 HG LEU A 16 2.841 0.170 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.593 2.540 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.016 1.719 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.505 2.847 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.416 1.939 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.356 2.239 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.185 0.673 3.860 1.00 0.00 H new ATOM 93 N TYR A 17 3.922 -1.919 3.132 1.00 0.00 N ATOM 94 CA TYR A 17 5.305 -2.288 3.559 1.00 0.00 C ATOM 95 C TYR A 17 6.315 -1.673 2.602 1.00 0.00 C ATOM 96 O TYR A 17 5.987 -0.853 1.767 1.00 0.00 O ATOM 97 CB TYR A 17 5.464 -3.805 3.515 1.00 0.00 C ATOM 98 CG TYR A 17 4.302 -4.439 4.218 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.115 -4.679 3.521 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.412 -4.777 5.564 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.028 -5.263 4.175 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.327 -5.364 6.226 1.00 0.00 C ATOM 103 CZ TYR A 17 2.133 -5.608 5.531 1.00 0.00 C ATOM 104 OH TYR A 17 1.062 -6.185 6.180 1.00 0.00 O ATOM 0 H TYR A 17 3.769 -1.924 2.124 1.00 0.00 H new ATOM 0 HA TYR A 17 5.474 -1.920 4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.512 -4.149 2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.399 -4.099 3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.038 -4.413 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.332 -4.587 6.096 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.109 -5.449 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.409 -5.629 7.270 1.00 0.00 H new ATOM 0 HH TYR A 17 1.302 -6.362 7.114 1.00 0.00 H new ATOM 114 N ILE A 18 7.546 -2.091 2.702 1.00 0.00 N ATOM 115 CA ILE A 18 8.598 -1.560 1.778 1.00 0.00 C ATOM 116 C ILE A 18 9.622 -2.658 1.477 1.00 0.00 C ATOM 117 O ILE A 18 9.920 -3.489 2.310 1.00 0.00 O ATOM 118 CB ILE A 18 9.294 -0.338 2.403 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.034 0.429 1.293 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.289 -0.782 3.488 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.781 1.639 1.871 1.00 0.00 C ATOM 0 H ILE A 18 7.873 -2.777 3.382 1.00 0.00 H new ATOM 0 HA ILE A 18 8.126 -1.247 0.846 1.00 0.00 H new ATOM 0 HB ILE A 18 8.548 0.307 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.740 -0.235 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.322 0.762 0.538 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.772 0.095 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.757 -1.324 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.044 -1.431 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.297 2.166 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.069 2.312 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.509 1.299 2.608 1.00 0.00 H new ATOM 133 N ARG A 19 10.161 -2.665 0.286 1.00 0.00 N ATOM 134 CA ARG A 19 11.168 -3.706 -0.081 1.00 0.00 C ATOM 135 C ARG A 19 12.575 -3.190 0.229 1.00 0.00 C ATOM 136 O ARG A 19 12.825 -2.001 0.223 1.00 0.00 O ATOM 137 CB ARG A 19 11.060 -4.008 -1.578 1.00 0.00 C ATOM 138 CG ARG A 19 9.586 -4.141 -1.965 1.00 0.00 C ATOM 139 CD ARG A 19 9.485 -4.720 -3.378 1.00 0.00 C ATOM 140 NE ARG A 19 10.514 -4.087 -4.250 1.00 0.00 N ATOM 141 CZ ARG A 19 10.825 -4.633 -5.394 1.00 0.00 C ATOM 142 NH1 ARG A 19 10.238 -5.735 -5.773 1.00 0.00 N ATOM 143 NH2 ARG A 19 11.724 -4.079 -6.158 1.00 0.00 N ATOM 0 H ARG A 19 9.947 -1.993 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 19 10.978 -4.613 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.528 -3.211 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.594 -4.929 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.069 -4.788 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.098 -3.167 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.630 -5.800 -3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.489 -4.543 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 19 10.975 -3.227 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.536 -6.170 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.482 -6.161 -6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.185 -3.219 -5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.967 -4.506 -7.052 1.00 0.00 H new ATOM 157 N ASN A 20 13.497 -4.074 0.496 1.00 0.00 N ATOM 158 CA ASN A 20 14.885 -3.630 0.800 1.00 0.00 C ATOM 159 C ASN A 20 15.380 -2.723 -0.327 1.00 0.00 C ATOM 160 O ASN A 20 16.404 -2.077 -0.218 1.00 0.00 O ATOM 161 CB ASN A 20 15.798 -4.853 0.904 1.00 0.00 C ATOM 162 CG ASN A 20 15.596 -5.741 -0.327 1.00 0.00 C ATOM 163 OD1 ASN A 20 15.859 -5.327 -1.439 1.00 0.00 O ATOM 164 ND2 ASN A 20 15.135 -6.951 -0.176 1.00 0.00 N ATOM 0 H ASN A 20 13.349 -5.083 0.517 1.00 0.00 H new ATOM 0 HA ASN A 20 14.898 -3.085 1.744 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.839 -4.539 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 20 15.573 -5.413 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.995 -7.549 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.914 -7.300 0.757 1.00 0.00 H new ATOM 171 N ASN A 21 14.659 -2.672 -1.414 1.00 0.00 N ATOM 172 CA ASN A 21 15.077 -1.817 -2.558 1.00 0.00 C ATOM 173 C ASN A 21 14.514 -0.409 -2.367 1.00 0.00 C ATOM 174 O ASN A 21 14.708 0.466 -3.187 1.00 0.00 O ATOM 175 CB ASN A 21 14.525 -2.418 -3.848 1.00 0.00 C ATOM 176 CG ASN A 21 14.854 -3.910 -3.898 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.002 -4.296 -3.798 1.00 0.00 O ATOM 178 ND2 ASN A 21 13.886 -4.772 -4.047 1.00 0.00 N ATOM 0 H ASN A 21 13.792 -3.190 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 21 16.165 -1.766 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.446 -2.271 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.956 -1.911 -4.711 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.093 -5.770 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.923 -4.448 -4.131 1.00 0.00 H new ATOM 185 N GLY A 22 13.824 -0.186 -1.284 1.00 0.00 N ATOM 186 CA GLY A 22 13.252 1.165 -1.024 1.00 0.00 C ATOM 187 C GLY A 22 11.961 1.349 -1.824 1.00 0.00 C ATOM 188 O GLY A 22 11.383 2.418 -1.848 1.00 0.00 O ATOM 0 H GLY A 22 13.631 -0.883 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.050 1.285 0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.974 1.934 -1.300 1.00 0.00 H new ATOM 192 N TYR A 23 11.495 0.317 -2.472 1.00 0.00 N ATOM 193 CA TYR A 23 10.234 0.439 -3.260 1.00 0.00 C ATOM 194 C TYR A 23 9.046 0.177 -2.329 1.00 0.00 C ATOM 195 O TYR A 23 8.984 -0.830 -1.650 1.00 0.00 O ATOM 196 CB TYR A 23 10.246 -0.595 -4.405 1.00 0.00 C ATOM 197 CG TYR A 23 10.835 0.021 -5.654 1.00 0.00 C ATOM 198 CD1 TYR A 23 12.223 0.045 -5.839 1.00 0.00 C ATOM 199 CD2 TYR A 23 9.989 0.573 -6.623 1.00 0.00 C ATOM 200 CE1 TYR A 23 12.764 0.621 -6.994 1.00 0.00 C ATOM 201 CE2 TYR A 23 10.529 1.148 -7.778 1.00 0.00 C ATOM 202 CZ TYR A 23 11.918 1.171 -7.964 1.00 0.00 C ATOM 203 OH TYR A 23 12.451 1.736 -9.103 1.00 0.00 O ATOM 0 H TYR A 23 11.932 -0.605 -2.491 1.00 0.00 H new ATOM 0 HA TYR A 23 10.150 1.439 -3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.829 -1.468 -4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.232 -0.941 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.875 -0.381 -5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.919 0.555 -6.479 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.834 0.641 -7.137 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.876 1.574 -8.526 1.00 0.00 H new ATOM 0 HH TYR A 23 11.727 2.070 -9.672 1.00 0.00 H new ATOM 213 N TYR A 24 8.106 1.081 -2.290 1.00 0.00 N ATOM 214 CA TYR A 24 6.927 0.892 -1.399 1.00 0.00 C ATOM 215 C TYR A 24 5.903 -0.006 -2.096 1.00 0.00 C ATOM 216 O TYR A 24 5.792 -0.010 -3.306 1.00 0.00 O ATOM 217 CB TYR A 24 6.300 2.254 -1.099 1.00 0.00 C ATOM 218 CG TYR A 24 7.191 3.008 -0.140 1.00 0.00 C ATOM 219 CD1 TYR A 24 7.300 2.580 1.188 1.00 0.00 C ATOM 220 CD2 TYR A 24 7.910 4.127 -0.577 1.00 0.00 C ATOM 221 CE1 TYR A 24 8.126 3.274 2.081 1.00 0.00 C ATOM 222 CE2 TYR A 24 8.737 4.819 0.314 1.00 0.00 C ATOM 223 CZ TYR A 24 8.844 4.393 1.644 1.00 0.00 C ATOM 224 OH TYR A 24 9.661 5.075 2.522 1.00 0.00 O ATOM 0 H TYR A 24 8.104 1.942 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 24 7.240 0.423 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.175 2.822 -2.021 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.308 2.124 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.747 1.715 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.826 4.456 -1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.209 2.946 3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.293 5.681 -0.023 1.00 0.00 H new ATOM 0 HH TYR A 24 10.262 5.664 2.019 1.00 0.00 H new ATOM 234 N CYS A 25 5.156 -0.774 -1.344 1.00 0.00 N ATOM 235 CA CYS A 25 4.144 -1.679 -1.967 1.00 0.00 C ATOM 236 C CYS A 25 2.950 -1.851 -1.023 1.00 0.00 C ATOM 237 O CYS A 25 3.101 -1.888 0.182 1.00 0.00 O ATOM 238 CB CYS A 25 4.781 -3.045 -2.228 1.00 0.00 C ATOM 239 SG CYS A 25 5.064 -3.889 -0.651 1.00 0.00 S ATOM 0 H CYS A 25 5.203 -0.813 -0.326 1.00 0.00 H new ATOM 0 HA CYS A 25 3.802 -1.244 -2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.131 -3.646 -2.863 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.723 -2.923 -2.762 1.00 0.00 H new ATOM 0 HG CYS A 25 4.414 -3.275 0.293 1.00 0.00 H new ATOM 245 N TYR A 26 1.763 -1.963 -1.569 1.00 0.00 N ATOM 246 CA TYR A 26 0.541 -2.145 -0.720 1.00 0.00 C ATOM 247 C TYR A 26 0.072 -3.593 -0.832 1.00 0.00 C ATOM 248 O TYR A 26 0.240 -4.215 -1.858 1.00 0.00 O ATOM 249 CB TYR A 26 -0.568 -1.224 -1.216 1.00 0.00 C ATOM 250 CG TYR A 26 -1.720 -1.267 -0.244 1.00 0.00 C ATOM 251 CD1 TYR A 26 -2.649 -2.315 -0.303 1.00 0.00 C ATOM 252 CD2 TYR A 26 -1.862 -0.259 0.713 1.00 0.00 C ATOM 253 CE1 TYR A 26 -3.720 -2.350 0.600 1.00 0.00 C ATOM 254 CE2 TYR A 26 -2.932 -0.293 1.614 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.861 -1.338 1.558 1.00 0.00 C ATOM 256 OH TYR A 26 -4.916 -1.370 2.449 1.00 0.00 O ATOM 0 H TYR A 26 1.586 -1.936 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 26 0.777 -1.905 0.317 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.195 -0.204 -1.311 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.900 -1.536 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.540 -3.094 -1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.145 0.547 0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.436 -3.157 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.041 0.487 2.353 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.873 -0.586 3.035 1.00 0.00 H new ATOM 266 N ARG A 27 -0.511 -4.137 0.212 1.00 0.00 N ATOM 267 CA ARG A 27 -0.984 -5.563 0.164 1.00 0.00 C ATOM 268 C ARG A 27 -2.512 -5.625 0.154 1.00 0.00 C ATOM 269 O ARG A 27 -3.171 -5.156 1.061 1.00 0.00 O ATOM 270 CB ARG A 27 -0.461 -6.315 1.394 1.00 0.00 C ATOM 271 CG ARG A 27 -1.043 -7.750 1.425 1.00 0.00 C ATOM 272 CD ARG A 27 -0.009 -8.737 1.986 1.00 0.00 C ATOM 273 NE ARG A 27 0.891 -9.167 0.878 1.00 0.00 N ATOM 274 CZ ARG A 27 1.984 -9.827 1.142 1.00 0.00 C ATOM 275 NH1 ARG A 27 2.290 -10.111 2.378 1.00 0.00 N ATOM 276 NH2 ARG A 27 2.769 -10.205 0.172 1.00 0.00 N ATOM 0 H ARG A 27 -0.680 -3.657 1.096 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.605 -6.024 -0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.628 -6.356 1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.740 -5.781 2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.944 -7.770 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.335 -8.052 0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.569 -8.267 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.510 -9.601 2.423 1.00 0.00 H new ATOM 0 HE ARG A 27 0.651 -8.945 -0.088 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.674 -9.817 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.145 -10.627 2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.528 -9.984 -0.794 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.624 -10.721 0.380 1.00 0.00 H new ATOM 290 N ASP A 28 -3.080 -6.217 -0.863 1.00 0.00 N ATOM 291 CA ASP A 28 -4.563 -6.331 -0.931 1.00 0.00 C ATOM 292 C ASP A 28 -5.024 -7.434 0.046 1.00 0.00 C ATOM 293 O ASP A 28 -4.416 -8.483 0.112 1.00 0.00 O ATOM 294 CB ASP A 28 -4.970 -6.704 -2.363 1.00 0.00 C ATOM 295 CG ASP A 28 -6.450 -6.384 -2.583 1.00 0.00 C ATOM 296 OD1 ASP A 28 -6.764 -5.219 -2.766 1.00 0.00 O ATOM 297 OD2 ASP A 28 -7.244 -7.310 -2.565 1.00 0.00 O ATOM 0 H ASP A 28 -2.578 -6.627 -1.651 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.028 -5.384 -0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.360 -6.154 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.788 -7.764 -2.538 1.00 0.00 H new ATOM 302 N PRO A 29 -6.082 -7.218 0.802 1.00 0.00 N ATOM 303 CA PRO A 29 -6.587 -8.240 1.771 1.00 0.00 C ATOM 304 C PRO A 29 -7.394 -9.347 1.080 1.00 0.00 C ATOM 305 O PRO A 29 -7.980 -10.195 1.723 1.00 0.00 O ATOM 306 CB PRO A 29 -7.485 -7.418 2.698 1.00 0.00 C ATOM 307 CG PRO A 29 -8.046 -6.361 1.808 1.00 0.00 C ATOM 308 CD PRO A 29 -6.920 -5.998 0.834 1.00 0.00 C ATOM 0 HA PRO A 29 -5.778 -8.760 2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -8.273 -8.030 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.919 -6.986 3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.924 -6.724 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.361 -5.491 2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.308 -5.752 -0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -6.355 -5.132 1.179 1.00 0.00 H new ATOM 316 N ARG A 30 -7.437 -9.336 -0.227 1.00 0.00 N ATOM 317 CA ARG A 30 -8.217 -10.374 -0.967 1.00 0.00 C ATOM 318 C ARG A 30 -7.329 -11.585 -1.269 1.00 0.00 C ATOM 319 O ARG A 30 -7.649 -12.700 -0.908 1.00 0.00 O ATOM 320 CB ARG A 30 -8.725 -9.779 -2.281 1.00 0.00 C ATOM 321 CG ARG A 30 -9.751 -10.724 -2.909 1.00 0.00 C ATOM 322 CD ARG A 30 -10.181 -10.178 -4.270 1.00 0.00 C ATOM 323 NE ARG A 30 -10.639 -8.768 -4.123 1.00 0.00 N ATOM 324 CZ ARG A 30 -10.759 -8.012 -5.178 1.00 0.00 C ATOM 325 NH1 ARG A 30 -10.448 -8.486 -6.354 1.00 0.00 N ATOM 326 NH2 ARG A 30 -11.184 -6.783 -5.060 1.00 0.00 N ATOM 0 H ARG A 30 -6.964 -8.651 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.059 -10.695 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.177 -8.804 -2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.892 -9.622 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.322 -11.719 -3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.617 -10.824 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.349 -10.229 -4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.984 -10.790 -4.681 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.858 -8.395 -3.199 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.112 -9.445 -6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.541 -7.897 -7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.423 -6.412 -4.140 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.277 -6.194 -5.887 1.00 0.00 H new ATOM 340 N THR A 31 -6.222 -11.376 -1.940 1.00 0.00 N ATOM 341 CA THR A 31 -5.302 -12.511 -2.288 1.00 0.00 C ATOM 342 C THR A 31 -3.965 -12.324 -1.566 1.00 0.00 C ATOM 343 O THR A 31 -3.055 -13.116 -1.710 1.00 0.00 O ATOM 344 CB THR A 31 -5.071 -12.534 -3.809 1.00 0.00 C ATOM 345 OG1 THR A 31 -3.751 -12.987 -4.084 1.00 0.00 O ATOM 346 CG2 THR A 31 -5.258 -11.128 -4.387 1.00 0.00 C ATOM 0 H THR A 31 -5.912 -10.460 -2.265 1.00 0.00 H new ATOM 0 HA THR A 31 -5.751 -13.454 -1.976 1.00 0.00 H new ATOM 0 HB THR A 31 -5.792 -13.210 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.460 -13.597 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.093 -11.152 -5.464 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.272 -10.783 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.543 -10.447 -3.926 1.00 0.00 H new ATOM 354 N GLY A 32 -3.842 -11.290 -0.781 1.00 0.00 N ATOM 355 CA GLY A 32 -2.568 -11.061 -0.041 1.00 0.00 C ATOM 356 C GLY A 32 -1.446 -10.711 -1.021 1.00 0.00 C ATOM 357 O GLY A 32 -0.283 -10.724 -0.669 1.00 0.00 O ATOM 0 H GLY A 32 -4.569 -10.593 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.697 -10.253 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.302 -11.954 0.525 1.00 0.00 H new ATOM 361 N LYS A 33 -1.777 -10.390 -2.243 1.00 0.00 N ATOM 362 CA LYS A 33 -0.714 -10.034 -3.229 1.00 0.00 C ATOM 363 C LYS A 33 -0.140 -8.666 -2.871 1.00 0.00 C ATOM 364 O LYS A 33 -0.492 -8.083 -1.864 1.00 0.00 O ATOM 365 CB LYS A 33 -1.310 -9.984 -4.646 1.00 0.00 C ATOM 366 CG LYS A 33 -2.509 -9.002 -4.695 1.00 0.00 C ATOM 367 CD LYS A 33 -2.083 -7.620 -5.242 1.00 0.00 C ATOM 368 CE LYS A 33 -2.226 -7.580 -6.767 1.00 0.00 C ATOM 369 NZ LYS A 33 -1.549 -8.764 -7.369 1.00 0.00 N ATOM 0 H LYS A 33 -2.732 -10.359 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 33 0.074 -10.786 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.546 -9.671 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.635 -10.980 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.296 -9.417 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.928 -8.886 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.697 -6.839 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.050 -7.414 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.281 -7.574 -7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.789 -6.662 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.530 -8.664 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.575 -8.827 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.069 -9.628 -7.114 1.00 0.00 H new ATOM 383 N GLU A 34 0.730 -8.143 -3.698 1.00 0.00 N ATOM 384 CA GLU A 34 1.329 -6.796 -3.432 1.00 0.00 C ATOM 385 C GLU A 34 1.227 -5.931 -4.695 1.00 0.00 C ATOM 386 O GLU A 34 1.203 -6.433 -5.802 1.00 0.00 O ATOM 387 CB GLU A 34 2.807 -6.945 -3.040 1.00 0.00 C ATOM 388 CG GLU A 34 2.994 -8.183 -2.148 1.00 0.00 C ATOM 389 CD GLU A 34 3.089 -9.448 -3.010 1.00 0.00 C ATOM 390 OE1 GLU A 34 3.513 -9.341 -4.150 1.00 0.00 O ATOM 391 OE2 GLU A 34 2.742 -10.505 -2.512 1.00 0.00 O ATOM 0 H GLU A 34 1.054 -8.594 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 34 0.786 -6.322 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.422 -7.036 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.143 -6.053 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.897 -8.075 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.158 -8.269 -1.454 1.00 0.00 H new ATOM 398 N PHE A 35 1.182 -4.633 -4.529 1.00 0.00 N ATOM 399 CA PHE A 35 1.099 -3.703 -5.703 1.00 0.00 C ATOM 400 C PHE A 35 2.376 -2.855 -5.741 1.00 0.00 C ATOM 401 O PHE A 35 2.750 -2.242 -4.762 1.00 0.00 O ATOM 402 CB PHE A 35 -0.127 -2.778 -5.542 1.00 0.00 C ATOM 403 CG PHE A 35 -1.348 -3.409 -6.178 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.516 -3.354 -7.567 1.00 0.00 C ATOM 405 CD2 PHE A 35 -2.311 -4.039 -5.380 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.646 -3.932 -8.160 1.00 0.00 C ATOM 407 CE2 PHE A 35 -3.442 -4.615 -5.973 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.608 -4.563 -7.363 1.00 0.00 C ATOM 0 H PHE A 35 1.199 -4.170 -3.620 1.00 0.00 H new ATOM 0 HA PHE A 35 0.998 -4.273 -6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.314 -2.592 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.074 -1.812 -6.005 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.774 -2.866 -8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.182 -4.081 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.775 -3.891 -9.232 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.186 -5.099 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.479 -5.010 -7.820 1.00 0.00 H new ATOM 418 N GLY A 36 3.042 -2.811 -6.862 1.00 0.00 N ATOM 419 CA GLY A 36 4.288 -1.998 -6.953 1.00 0.00 C ATOM 420 C GLY A 36 3.916 -0.529 -7.167 1.00 0.00 C ATOM 421 O GLY A 36 3.354 -0.166 -8.180 1.00 0.00 O ATOM 0 H GLY A 36 2.778 -3.301 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.875 -2.108 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.908 -2.352 -7.776 1.00 0.00 H new ATOM 425 N LEU A 37 4.220 0.321 -6.215 1.00 0.00 N ATOM 426 CA LEU A 37 3.878 1.773 -6.356 1.00 0.00 C ATOM 427 C LEU A 37 5.117 2.562 -6.779 1.00 0.00 C ATOM 428 O LEU A 37 5.155 3.151 -7.842 1.00 0.00 O ATOM 429 CB LEU A 37 3.373 2.312 -5.011 1.00 0.00 C ATOM 430 CG LEU A 37 2.330 1.356 -4.420 1.00 0.00 C ATOM 431 CD1 LEU A 37 1.665 2.012 -3.206 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.261 1.034 -5.473 1.00 0.00 C ATOM 0 H LEU A 37 4.691 0.072 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 37 3.103 1.884 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.208 2.425 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.936 3.301 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 37 2.824 0.434 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.924 1.332 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.421 2.235 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.177 2.936 -3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.523 0.354 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.768 1.955 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.731 0.564 -6.337 1.00 0.00 H new ATOM 444 N GLY A 38 6.129 2.585 -5.957 1.00 0.00 N ATOM 445 CA GLY A 38 7.364 3.342 -6.314 1.00 0.00 C ATOM 446 C GLY A 38 8.164 3.641 -5.045 1.00 0.00 C ATOM 447 O GLY A 38 7.807 3.222 -3.961 1.00 0.00 O ATOM 0 H GLY A 38 6.155 2.113 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.970 2.763 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.100 4.272 -6.818 1.00 0.00 H new ATOM 451 N ARG A 39 9.255 4.352 -5.168 1.00 0.00 N ATOM 452 CA ARG A 39 10.088 4.664 -3.971 1.00 0.00 C ATOM 453 C ARG A 39 9.606 5.966 -3.322 1.00 0.00 C ATOM 454 O ARG A 39 10.225 6.481 -2.411 1.00 0.00 O ATOM 455 CB ARG A 39 11.541 4.839 -4.412 1.00 0.00 C ATOM 456 CG ARG A 39 12.011 3.614 -5.241 1.00 0.00 C ATOM 457 CD ARG A 39 13.060 4.028 -6.286 1.00 0.00 C ATOM 458 NE ARG A 39 12.637 5.273 -7.012 1.00 0.00 N ATOM 459 CZ ARG A 39 11.465 5.368 -7.586 1.00 0.00 C ATOM 460 NH1 ARG A 39 10.719 4.311 -7.748 1.00 0.00 N ATOM 461 NH2 ARG A 39 11.072 6.517 -8.064 1.00 0.00 N ATOM 0 H ARG A 39 9.605 4.730 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 39 10.004 3.850 -3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.639 5.747 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.180 4.960 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.432 2.860 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.156 3.158 -5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.019 4.197 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.205 3.218 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 39 13.279 6.064 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.048 3.401 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.807 4.395 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.677 7.335 -7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.159 6.598 -8.513 1.00 0.00 H new ATOM 475 N ASP A 40 8.509 6.504 -3.782 1.00 0.00 N ATOM 476 CA ASP A 40 7.983 7.777 -3.191 1.00 0.00 C ATOM 477 C ASP A 40 6.927 7.447 -2.133 1.00 0.00 C ATOM 478 O ASP A 40 5.831 7.026 -2.446 1.00 0.00 O ATOM 479 CB ASP A 40 7.347 8.626 -4.295 1.00 0.00 C ATOM 480 CG ASP A 40 8.411 8.987 -5.335 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.777 8.115 -6.105 1.00 0.00 O ATOM 482 OD2 ASP A 40 8.840 10.129 -5.343 1.00 0.00 O ATOM 0 H ASP A 40 7.950 6.119 -4.543 1.00 0.00 H new ATOM 0 HA ASP A 40 8.801 8.331 -2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.532 8.077 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.916 9.532 -3.870 1.00 0.00 H new ATOM 487 N ARG A 41 7.254 7.633 -0.882 1.00 0.00 N ATOM 488 CA ARG A 41 6.282 7.329 0.210 1.00 0.00 C ATOM 489 C ARG A 41 5.084 8.279 0.127 1.00 0.00 C ATOM 490 O ARG A 41 4.031 8.015 0.666 1.00 0.00 O ATOM 491 CB ARG A 41 6.969 7.522 1.564 1.00 0.00 C ATOM 492 CG ARG A 41 7.713 8.860 1.571 1.00 0.00 C ATOM 493 CD ARG A 41 8.129 9.217 3.001 1.00 0.00 C ATOM 494 NE ARG A 41 9.248 8.333 3.428 1.00 0.00 N ATOM 495 CZ ARG A 41 9.962 8.650 4.473 1.00 0.00 C ATOM 496 NH1 ARG A 41 9.690 9.736 5.142 1.00 0.00 N ATOM 497 NH2 ARG A 41 10.946 7.881 4.848 1.00 0.00 N ATOM 0 H ARG A 41 8.158 7.985 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 41 5.938 6.300 0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.230 7.500 2.365 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.666 6.705 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.593 8.800 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.075 9.643 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.437 10.261 3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.282 9.101 3.677 1.00 0.00 H new ATOM 0 HE ARG A 41 9.456 7.482 2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.920 10.337 4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.248 9.985 5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.158 7.032 4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.504 8.129 5.665 1.00 0.00 H new ATOM 511 N ARG A 42 5.241 9.387 -0.533 1.00 0.00 N ATOM 512 CA ARG A 42 4.124 10.365 -0.639 1.00 0.00 C ATOM 513 C ARG A 42 3.067 9.830 -1.589 1.00 0.00 C ATOM 514 O ARG A 42 1.889 9.831 -1.293 1.00 0.00 O ATOM 515 CB ARG A 42 4.660 11.694 -1.167 1.00 0.00 C ATOM 516 CG ARG A 42 5.820 12.161 -0.283 1.00 0.00 C ATOM 517 CD ARG A 42 5.327 12.418 1.150 1.00 0.00 C ATOM 518 NE ARG A 42 6.193 13.443 1.794 1.00 0.00 N ATOM 519 CZ ARG A 42 5.775 14.071 2.860 1.00 0.00 C ATOM 520 NH1 ARG A 42 4.606 13.795 3.365 1.00 0.00 N ATOM 521 NH2 ARG A 42 6.527 14.977 3.421 1.00 0.00 N ATOM 0 H ARG A 42 6.101 9.661 -1.008 1.00 0.00 H new ATOM 0 HA ARG A 42 3.681 10.517 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.997 11.580 -2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.868 12.442 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.607 11.407 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.256 13.072 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.292 12.758 1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.350 11.493 1.726 1.00 0.00 H new ATOM 0 HE ARG A 42 7.111 13.655 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.016 13.087 2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.281 14.287 4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.442 15.195 3.027 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.200 15.467 4.254 1.00 0.00 H new ATOM 535 N ILE A 43 3.479 9.380 -2.736 1.00 0.00 N ATOM 536 CA ILE A 43 2.500 8.851 -3.713 1.00 0.00 C ATOM 537 C ILE A 43 2.066 7.453 -3.284 1.00 0.00 C ATOM 538 O ILE A 43 0.923 7.081 -3.422 1.00 0.00 O ATOM 539 CB ILE A 43 3.145 8.800 -5.100 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.414 10.227 -5.585 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.205 8.095 -6.081 1.00 0.00 C ATOM 542 CD1 ILE A 43 4.345 10.187 -6.797 1.00 0.00 C ATOM 0 H ILE A 43 4.453 9.356 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 43 1.625 9.500 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 43 4.084 8.249 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.476 10.715 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.865 10.815 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.668 8.061 -7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.013 7.079 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.264 8.642 -6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.537 11.203 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.287 9.715 -6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.876 9.614 -7.597 1.00 0.00 H new ATOM 554 N ALA A 44 2.971 6.680 -2.761 1.00 0.00 N ATOM 555 CA ALA A 44 2.618 5.300 -2.314 1.00 0.00 C ATOM 556 C ALA A 44 1.631 5.370 -1.140 1.00 0.00 C ATOM 557 O ALA A 44 0.550 4.822 -1.199 1.00 0.00 O ATOM 558 CB ALA A 44 3.907 4.590 -1.885 1.00 0.00 C ATOM 0 H ALA A 44 3.947 6.942 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 44 2.145 4.748 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.672 3.578 -1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.596 4.545 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.371 5.141 -1.067 1.00 0.00 H new ATOM 564 N ILE A 45 1.995 6.030 -0.076 1.00 0.00 N ATOM 565 CA ILE A 45 1.073 6.123 1.094 1.00 0.00 C ATOM 566 C ILE A 45 -0.291 6.647 0.628 1.00 0.00 C ATOM 567 O ILE A 45 -1.323 6.251 1.133 1.00 0.00 O ATOM 568 CB ILE A 45 1.662 7.075 2.141 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.924 6.450 2.750 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.630 7.324 3.246 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.646 7.485 3.617 1.00 0.00 C ATOM 0 H ILE A 45 2.889 6.509 0.036 1.00 0.00 H new ATOM 0 HA ILE A 45 0.949 5.135 1.538 1.00 0.00 H new ATOM 0 HB ILE A 45 1.919 8.022 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.657 5.581 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.586 6.099 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.050 8.001 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.266 7.770 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.371 6.378 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.542 7.038 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.927 8.341 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.984 7.814 4.418 1.00 0.00 H new ATOM 583 N THR A 46 -0.304 7.537 -0.328 1.00 0.00 N ATOM 584 CA THR A 46 -1.599 8.083 -0.822 1.00 0.00 C ATOM 585 C THR A 46 -2.501 6.923 -1.269 1.00 0.00 C ATOM 586 O THR A 46 -3.642 6.822 -0.868 1.00 0.00 O ATOM 587 CB THR A 46 -1.315 9.049 -1.997 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.190 10.370 -1.489 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.448 9.012 -3.033 1.00 0.00 C ATOM 0 H THR A 46 0.527 7.909 -0.788 1.00 0.00 H new ATOM 0 HA THR A 46 -2.111 8.631 -0.031 1.00 0.00 H new ATOM 0 HB THR A 46 -0.392 8.737 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.248 10.558 -1.296 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.220 9.701 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.545 8.001 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.384 9.307 -2.559 1.00 0.00 H new ATOM 597 N GLU A 47 -1.997 6.058 -2.102 1.00 0.00 N ATOM 598 CA GLU A 47 -2.826 4.917 -2.585 1.00 0.00 C ATOM 599 C GLU A 47 -3.248 4.063 -1.397 1.00 0.00 C ATOM 600 O GLU A 47 -4.336 3.524 -1.357 1.00 0.00 O ATOM 601 CB GLU A 47 -2.000 4.060 -3.545 1.00 0.00 C ATOM 602 CG GLU A 47 -1.336 4.955 -4.583 1.00 0.00 C ATOM 603 CD GLU A 47 -0.831 4.105 -5.752 1.00 0.00 C ATOM 604 OE1 GLU A 47 -1.475 3.117 -6.064 1.00 0.00 O ATOM 605 OE2 GLU A 47 0.192 4.458 -6.315 1.00 0.00 O ATOM 0 H GLU A 47 -1.046 6.090 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.708 5.300 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.243 3.503 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.640 3.327 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.046 5.700 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.506 5.498 -4.131 1.00 0.00 H new ATOM 612 N ALA A 48 -2.391 3.938 -0.431 1.00 0.00 N ATOM 613 CA ALA A 48 -2.732 3.116 0.763 1.00 0.00 C ATOM 614 C ALA A 48 -4.015 3.652 1.406 1.00 0.00 C ATOM 615 O ALA A 48 -4.936 2.913 1.691 1.00 0.00 O ATOM 616 CB ALA A 48 -1.577 3.189 1.770 1.00 0.00 C ATOM 0 H ALA A 48 -1.467 4.369 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.890 2.080 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.820 2.589 2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.667 2.805 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.422 4.225 2.071 1.00 0.00 H new ATOM 622 N ILE A 49 -4.073 4.930 1.645 1.00 0.00 N ATOM 623 CA ILE A 49 -5.286 5.524 2.280 1.00 0.00 C ATOM 624 C ILE A 49 -6.518 5.278 1.409 1.00 0.00 C ATOM 625 O ILE A 49 -7.551 4.858 1.890 1.00 0.00 O ATOM 626 CB ILE A 49 -5.066 7.023 2.473 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.936 7.230 3.484 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.347 7.671 3.004 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.441 8.674 3.414 1.00 0.00 C ATOM 0 H ILE A 49 -3.330 5.594 1.428 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.454 5.053 3.248 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.803 7.481 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.289 7.005 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.116 6.544 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.185 8.740 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.156 7.515 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.614 7.220 3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.636 8.818 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.071 8.883 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.262 9.352 3.646 1.00 0.00 H new ATOM 641 N GLN A 50 -6.424 5.525 0.134 1.00 0.00 N ATOM 642 CA GLN A 50 -7.602 5.286 -0.747 1.00 0.00 C ATOM 643 C GLN A 50 -7.937 3.801 -0.699 1.00 0.00 C ATOM 644 O GLN A 50 -9.084 3.407 -0.642 1.00 0.00 O ATOM 645 CB GLN A 50 -7.275 5.673 -2.194 1.00 0.00 C ATOM 646 CG GLN A 50 -6.652 7.068 -2.240 1.00 0.00 C ATOM 647 CD GLN A 50 -7.724 8.122 -1.961 1.00 0.00 C ATOM 648 OE1 GLN A 50 -7.548 8.977 -1.116 1.00 0.00 O ATOM 649 NE2 GLN A 50 -8.838 8.098 -2.643 1.00 0.00 N ATOM 0 H GLN A 50 -5.590 5.879 -0.335 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.442 5.889 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.588 4.946 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.182 5.652 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.853 7.144 -1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.202 7.243 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.986 7.380 -3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.560 8.797 -2.466 1.00 0.00 H new ATOM 658 N ALA A 51 -6.931 2.975 -0.717 1.00 0.00 N ATOM 659 CA ALA A 51 -7.165 1.507 -0.667 1.00 0.00 C ATOM 660 C ALA A 51 -7.799 1.149 0.674 1.00 0.00 C ATOM 661 O ALA A 51 -8.634 0.270 0.768 1.00 0.00 O ATOM 662 CB ALA A 51 -5.834 0.772 -0.820 1.00 0.00 C ATOM 0 H ALA A 51 -5.951 3.255 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.832 1.212 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.006 -0.304 -0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.381 1.035 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.164 1.060 -0.010 1.00 0.00 H new ATOM 668 N ASN A 52 -7.411 1.826 1.716 1.00 0.00 N ATOM 669 CA ASN A 52 -7.993 1.528 3.048 1.00 0.00 C ATOM 670 C ASN A 52 -9.489 1.856 3.026 1.00 0.00 C ATOM 671 O ASN A 52 -10.288 1.196 3.659 1.00 0.00 O ATOM 672 CB ASN A 52 -7.286 2.386 4.100 1.00 0.00 C ATOM 673 CG ASN A 52 -5.950 1.740 4.485 1.00 0.00 C ATOM 674 OD1 ASN A 52 -5.607 0.688 3.985 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.179 2.332 5.357 1.00 0.00 N ATOM 0 H ASN A 52 -6.716 2.572 1.701 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.861 0.474 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.116 3.389 3.710 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.918 2.490 4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.288 1.911 5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.468 3.216 5.776 1.00 0.00 H new ATOM 682 N ILE A 53 -9.874 2.864 2.296 1.00 0.00 N ATOM 683 CA ILE A 53 -11.319 3.220 2.232 1.00 0.00 C ATOM 684 C ILE A 53 -12.059 2.134 1.443 1.00 0.00 C ATOM 685 O ILE A 53 -13.232 1.892 1.652 1.00 0.00 O ATOM 686 CB ILE A 53 -11.489 4.580 1.539 1.00 0.00 C ATOM 687 CG1 ILE A 53 -10.986 5.685 2.473 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.971 4.819 1.219 1.00 0.00 C ATOM 689 CD1 ILE A 53 -10.943 7.020 1.724 1.00 0.00 C ATOM 0 H ILE A 53 -9.254 3.455 1.743 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.730 3.288 3.239 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.916 4.589 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.641 5.766 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.993 5.435 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -13.086 5.785 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -13.332 4.031 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.549 4.811 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.584 7.802 2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.270 6.937 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.944 7.273 1.374 1.00 0.00 H new ATOM 701 N GLU A 54 -11.382 1.475 0.542 1.00 0.00 N ATOM 702 CA GLU A 54 -12.050 0.406 -0.253 1.00 0.00 C ATOM 703 C GLU A 54 -12.387 -0.769 0.666 1.00 0.00 C ATOM 704 O GLU A 54 -13.328 -1.498 0.431 1.00 0.00 O ATOM 705 CB GLU A 54 -11.115 -0.075 -1.367 1.00 0.00 C ATOM 706 CG GLU A 54 -11.081 0.954 -2.496 1.00 0.00 C ATOM 707 CD GLU A 54 -10.146 0.462 -3.601 1.00 0.00 C ATOM 708 OE1 GLU A 54 -10.004 -0.741 -3.737 1.00 0.00 O ATOM 709 OE2 GLU A 54 -9.587 1.298 -4.292 1.00 0.00 O ATOM 0 H GLU A 54 -10.398 1.630 0.323 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.963 0.804 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.111 -0.227 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.456 -1.037 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.084 1.107 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.739 1.916 -2.116 1.00 0.00 H new ATOM 716 N LEU A 55 -11.627 -0.963 1.713 1.00 0.00 N ATOM 717 CA LEU A 55 -11.922 -2.098 2.634 1.00 0.00 C ATOM 718 C LEU A 55 -13.309 -1.893 3.260 1.00 0.00 C ATOM 719 O LEU A 55 -13.886 -2.805 3.822 1.00 0.00 O ATOM 720 CB LEU A 55 -10.843 -2.156 3.737 1.00 0.00 C ATOM 721 CG LEU A 55 -9.707 -3.098 3.318 1.00 0.00 C ATOM 722 CD1 LEU A 55 -9.024 -2.556 2.061 1.00 0.00 C ATOM 723 CD2 LEU A 55 -8.687 -3.197 4.453 1.00 0.00 C ATOM 0 H LEU A 55 -10.823 -0.390 1.967 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.915 -3.037 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.447 -1.157 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.286 -2.501 4.671 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.115 -4.086 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.218 -3.228 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.752 -2.487 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.615 -1.567 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.878 -3.866 4.158 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.281 -2.208 4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.174 -3.588 5.346 1.00 0.00 H new ATOM 735 N PHE A 56 -13.846 -0.701 3.167 1.00 0.00 N ATOM 736 CA PHE A 56 -15.196 -0.421 3.754 1.00 0.00 C ATOM 737 C PHE A 56 -16.244 -0.368 2.639 1.00 0.00 C ATOM 738 O PHE A 56 -17.427 -0.265 2.894 1.00 0.00 O ATOM 739 CB PHE A 56 -15.159 0.930 4.475 1.00 0.00 C ATOM 740 CG PHE A 56 -14.425 0.785 5.788 1.00 0.00 C ATOM 741 CD1 PHE A 56 -15.071 0.206 6.887 1.00 0.00 C ATOM 742 CD2 PHE A 56 -13.102 1.225 5.907 1.00 0.00 C ATOM 743 CE1 PHE A 56 -14.395 0.069 8.105 1.00 0.00 C ATOM 744 CE2 PHE A 56 -12.425 1.087 7.126 1.00 0.00 C ATOM 745 CZ PHE A 56 -13.073 0.509 8.225 1.00 0.00 C ATOM 0 H PHE A 56 -13.405 0.096 2.707 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.457 -1.212 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.664 1.673 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -16.174 1.287 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -16.092 -0.135 6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -12.603 1.671 5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -14.895 -0.377 8.952 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.404 1.426 7.218 1.00 0.00 H new ATOM 0 HZ PHE A 56 -12.552 0.403 9.165 1.00 0.00 H new ATOM 755 N SER A 57 -15.825 -0.431 1.404 1.00 0.00 N ATOM 756 CA SER A 57 -16.811 -0.375 0.288 1.00 0.00 C ATOM 757 C SER A 57 -16.162 -0.881 -1.004 1.00 0.00 C ATOM 758 O SER A 57 -16.437 -0.389 -2.079 1.00 0.00 O ATOM 759 CB SER A 57 -17.271 1.070 0.098 1.00 0.00 C ATOM 760 OG SER A 57 -18.109 1.151 -1.047 1.00 0.00 O ATOM 0 H SER A 57 -14.849 -0.518 1.121 1.00 0.00 H new ATOM 0 HA SER A 57 -17.667 -1.006 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.810 1.411 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.408 1.725 -0.022 1.00 0.00 H new ATOM 0 HG SER A 57 -17.586 0.948 -1.850 1.00 0.00 H new ATOM 766 N GLY A 58 -15.304 -1.860 -0.908 1.00 0.00 N ATOM 767 CA GLY A 58 -14.640 -2.396 -2.133 1.00 0.00 C ATOM 768 C GLY A 58 -15.547 -3.434 -2.795 1.00 0.00 C ATOM 769 O GLY A 58 -16.261 -4.161 -2.134 1.00 0.00 O ATOM 0 H GLY A 58 -15.033 -2.313 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.430 -1.585 -2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.683 -2.848 -1.872 1.00 0.00 H new ATOM 773 N HIS A 59 -15.524 -3.511 -4.098 1.00 0.00 N ATOM 774 CA HIS A 59 -16.384 -4.503 -4.804 1.00 0.00 C ATOM 775 C HIS A 59 -15.674 -5.859 -4.840 1.00 0.00 C ATOM 776 O HIS A 59 -14.535 -5.962 -5.250 1.00 0.00 O ATOM 777 CB HIS A 59 -16.643 -4.026 -6.235 1.00 0.00 C ATOM 778 CG HIS A 59 -15.352 -3.560 -6.851 1.00 0.00 C ATOM 779 ND1 HIS A 59 -14.663 -4.319 -7.783 1.00 0.00 N ATOM 780 CD2 HIS A 59 -14.615 -2.415 -6.681 1.00 0.00 C ATOM 781 CE1 HIS A 59 -13.564 -3.627 -8.136 1.00 0.00 C ATOM 782 NE2 HIS A 59 -13.486 -2.459 -7.494 1.00 0.00 N ATOM 0 H HIS A 59 -14.946 -2.929 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 59 -17.332 -4.603 -4.276 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -17.070 -4.835 -6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.371 -3.215 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.872 -1.603 -6.017 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.834 -3.974 -8.852 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.756 -1.751 -7.581 1.00 0.00 H new TER 790 HIS A 59