USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 701 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 14 ASN :FLIP amide:sc= -0.0413 F(o=-1.1,f=-0.041) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -132:sc= 0.822 (180deg=-0.465) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0694) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -30:sc= 1.28 USER MOD Single : A 47 MET CE :methyl -177:sc= -0.0473 (180deg=-0.0908) USER MOD Single : A 53 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 65:sc= 1.28 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 64 TYR OH : rot -111:sc= 0.00452 USER MOD Single : A 69 THR OG1 : rot 92:sc= 1.31 USER MOD Single : A 71 ASN : amide:sc= -0.0238 X(o=-0.024,f=-0.19) USER MOD Single : A 76 MET CE :methyl 151:sc= -1.85 (180deg=-4.86!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-3.9!) USER MOD Single : A 81 MET CE :methyl -126:sc= -0.0399 (180deg=-0.349) USER MOD Single : A 84 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.15) USER MOD Single : A 86 GLN : amide:sc= -0.743 K(o=-0.74,f=-1.5) USER MOD Single : A 89 THR OG1 : rot 79:sc= 0.716 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -10.171 11.456 -0.229 1.00 1.00 N ATOM 28 CA ARG A 3 -10.453 10.173 -0.879 1.00 1.00 C ATOM 29 C ARG A 3 -9.260 9.242 -0.967 1.00 1.00 C ATOM 30 O ARG A 3 -9.406 8.081 -0.600 1.00 1.00 O ATOM 31 CB ARG A 3 -11.074 10.406 -2.258 1.00 1.00 C ATOM 32 CG ARG A 3 -12.423 11.148 -2.224 1.00 1.00 C ATOM 33 CD ARG A 3 -13.633 10.268 -1.894 1.00 1.00 C ATOM 34 NE ARG A 3 -13.604 9.738 -0.523 1.00 1.00 N ATOM 35 CZ ARG A 3 -13.713 8.456 -0.153 1.00 1.00 C ATOM 36 NH1 ARG A 3 -14.019 7.492 -1.015 1.00 1.00 N ATOM 37 NH2 ARG A 3 -13.489 8.135 1.108 1.00 1.00 N ATOM 0 HA ARG A 3 -11.167 9.658 -0.237 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -10.373 10.976 -2.868 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.214 9.443 -2.749 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.362 11.949 -1.487 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.587 11.618 -3.193 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.545 10.848 -2.034 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -13.673 9.437 -2.598 1.00 1.00 H new ATOM 0 HE ARG A 3 -13.488 10.420 0.227 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -14.180 7.718 -1.997 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -14.093 6.526 -0.695 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -13.238 8.859 1.782 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -13.567 7.163 1.409 1.00 1.00 H new ATOM 51 N ALA A 4 -8.103 9.744 -1.404 1.00 1.00 N ATOM 52 CA ALA A 4 -6.891 8.933 -1.466 1.00 1.00 C ATOM 53 C ALA A 4 -6.612 8.278 -0.123 1.00 1.00 C ATOM 54 O ALA A 4 -6.531 7.057 -0.014 1.00 1.00 O ATOM 55 CB ALA A 4 -5.693 9.784 -1.912 1.00 1.00 C ATOM 0 H ALA A 4 -7.983 10.707 -1.719 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.046 8.145 -2.203 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.799 9.161 -1.952 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.890 10.200 -2.900 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.538 10.596 -1.201 1.00 1.00 H new ATOM 61 N ARG A 5 -6.454 9.102 0.908 1.00 1.00 N ATOM 62 CA ARG A 5 -6.082 8.613 2.220 1.00 1.00 C ATOM 63 C ARG A 5 -7.183 7.747 2.797 1.00 1.00 C ATOM 64 O ARG A 5 -6.873 6.710 3.363 1.00 1.00 O ATOM 65 CB ARG A 5 -5.722 9.784 3.136 1.00 1.00 C ATOM 66 CG ARG A 5 -4.417 10.415 2.638 1.00 1.00 C ATOM 67 CD ARG A 5 -3.865 11.461 3.609 1.00 1.00 C ATOM 68 NE ARG A 5 -4.593 12.736 3.508 1.00 1.00 N ATOM 69 CZ ARG A 5 -4.142 13.917 3.939 1.00 1.00 C ATOM 70 NH1 ARG A 5 -3.073 13.977 4.725 1.00 1.00 N ATOM 71 NH2 ARG A 5 -4.778 15.025 3.578 1.00 1.00 N ATOM 0 H ARG A 5 -6.579 10.113 0.854 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.196 7.984 2.132 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.523 10.523 3.136 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.607 9.438 4.163 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.672 9.633 2.489 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -4.589 10.880 1.667 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.934 11.083 4.629 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.808 11.628 3.401 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.516 12.716 3.074 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.594 13.120 5.001 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -2.731 14.880 5.053 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -5.601 14.968 2.978 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -4.444 15.933 3.900 1.00 1.00 H new ATOM 85 N ASP A 6 -8.444 8.126 2.621 1.00 1.00 N ATOM 86 CA ASP A 6 -9.568 7.385 3.169 1.00 1.00 C ATOM 87 C ASP A 6 -9.558 5.966 2.625 1.00 1.00 C ATOM 88 O ASP A 6 -9.720 5.015 3.389 1.00 1.00 O ATOM 89 CB ASP A 6 -10.895 8.035 2.777 1.00 1.00 C ATOM 90 CG ASP A 6 -11.324 9.250 3.588 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.514 9.842 4.337 1.00 1.00 O ATOM 92 OD2 ASP A 6 -12.524 9.595 3.462 1.00 1.00 O ATOM 0 H ASP A 6 -8.713 8.957 2.094 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.471 7.384 4.255 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.834 8.329 1.729 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.679 7.281 2.852 1.00 1.00 H new ATOM 97 N ALA A 7 -9.379 5.827 1.310 1.00 1.00 N ATOM 98 CA ALA A 7 -9.432 4.549 0.633 1.00 1.00 C ATOM 99 C ALA A 7 -8.213 3.691 0.964 1.00 1.00 C ATOM 100 O ALA A 7 -8.375 2.494 1.195 1.00 1.00 O ATOM 101 CB ALA A 7 -9.555 4.799 -0.870 1.00 1.00 C ATOM 0 H ALA A 7 -9.192 6.613 0.687 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.302 3.990 0.977 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.596 3.845 -1.395 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.465 5.364 -1.072 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.691 5.367 -1.216 1.00 1.00 H new ATOM 107 N ILE A 8 -7.008 4.275 0.999 1.00 1.00 N ATOM 108 CA ILE A 8 -5.801 3.552 1.400 1.00 1.00 C ATOM 109 C ILE A 8 -6.000 3.054 2.832 1.00 1.00 C ATOM 110 O ILE A 8 -5.811 1.871 3.091 1.00 1.00 O ATOM 111 CB ILE A 8 -4.527 4.425 1.256 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.289 4.864 -0.209 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.278 3.683 1.755 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.454 6.149 -0.305 1.00 1.00 C ATOM 0 H ILE A 8 -6.846 5.251 0.752 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.645 2.701 0.737 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.696 5.310 1.870 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.782 4.063 -0.748 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.250 5.020 -0.700 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.404 4.324 1.639 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.403 3.426 2.807 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.139 2.772 1.173 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.315 6.415 -1.353 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.972 6.959 0.209 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.482 5.987 0.160 1.00 1.00 H new ATOM 126 N LEU A 9 -6.407 3.926 3.752 1.00 1.00 N ATOM 127 CA LEU A 9 -6.525 3.587 5.161 1.00 1.00 C ATOM 128 C LEU A 9 -7.590 2.510 5.326 1.00 1.00 C ATOM 129 O LEU A 9 -7.338 1.525 6.014 1.00 1.00 O ATOM 130 CB LEU A 9 -6.824 4.878 5.943 1.00 1.00 C ATOM 131 CG LEU A 9 -6.494 4.872 7.439 1.00 1.00 C ATOM 132 CD1 LEU A 9 -6.351 6.323 7.931 1.00 1.00 C ATOM 133 CD2 LEU A 9 -7.565 4.203 8.274 1.00 1.00 C ATOM 0 H LEU A 9 -6.664 4.889 3.537 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.601 3.171 5.562 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.271 5.693 5.477 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -7.884 5.106 5.830 1.00 1.00 H new ATOM 0 HG LEU A 9 -5.568 4.309 7.556 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -6.116 6.325 8.995 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -5.549 6.816 7.382 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -7.286 6.857 7.765 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -7.276 4.229 9.325 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -8.510 4.730 8.144 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -7.681 3.167 7.955 1.00 1.00 H new ATOM 145 N ASP A 10 -8.733 2.636 4.639 1.00 1.00 N ATOM 146 CA ASP A 10 -9.773 1.610 4.661 1.00 1.00 C ATOM 147 C ASP A 10 -9.239 0.279 4.153 1.00 1.00 C ATOM 148 O ASP A 10 -9.558 -0.757 4.732 1.00 1.00 O ATOM 149 CB ASP A 10 -11.025 1.989 3.847 1.00 1.00 C ATOM 150 CG ASP A 10 -12.021 2.907 4.553 1.00 1.00 C ATOM 151 OD1 ASP A 10 -11.942 3.087 5.791 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.982 3.362 3.887 1.00 1.00 O ATOM 0 H ASP A 10 -8.958 3.445 4.059 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.071 1.523 5.706 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.703 2.473 2.925 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.542 1.073 3.563 1.00 1.00 H new ATOM 157 N ALA A 11 -8.447 0.289 3.077 1.00 1.00 N ATOM 158 CA ALA A 11 -7.861 -0.917 2.526 1.00 1.00 C ATOM 159 C ALA A 11 -6.905 -1.561 3.524 1.00 1.00 C ATOM 160 O ALA A 11 -7.045 -2.752 3.797 1.00 1.00 O ATOM 161 CB ALA A 11 -7.165 -0.627 1.191 1.00 1.00 C ATOM 0 H ALA A 11 -8.199 1.138 2.570 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.664 -1.628 2.331 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.733 -1.548 0.798 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.892 -0.234 0.480 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.374 0.107 1.345 1.00 1.00 H new ATOM 167 N LEU A 12 -5.933 -0.809 4.052 1.00 1.00 N ATOM 168 CA LEU A 12 -4.943 -1.387 4.954 1.00 1.00 C ATOM 169 C LEU A 12 -5.595 -1.837 6.263 1.00 1.00 C ATOM 170 O LEU A 12 -5.162 -2.835 6.830 1.00 1.00 O ATOM 171 CB LEU A 12 -3.710 -0.505 5.168 1.00 1.00 C ATOM 172 CG LEU A 12 -2.708 -0.500 3.997 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.509 -1.798 3.213 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.090 0.576 3.000 1.00 1.00 C ATOM 0 H LEU A 12 -5.815 0.188 3.871 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.551 -2.276 4.460 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.040 0.518 5.350 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.194 -0.839 6.068 1.00 1.00 H new ATOM 0 HG LEU A 12 -1.758 -0.325 4.502 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.776 -1.637 2.423 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -2.152 -2.578 3.885 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -3.457 -2.105 2.771 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.379 0.576 2.174 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.091 0.378 2.617 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.075 1.549 3.491 1.00 1.00 H new ATOM 186 N GLU A 13 -6.639 -1.153 6.737 1.00 1.00 N ATOM 187 CA GLU A 13 -7.396 -1.578 7.912 1.00 1.00 C ATOM 188 C GLU A 13 -8.148 -2.871 7.594 1.00 1.00 C ATOM 189 O GLU A 13 -8.206 -3.770 8.437 1.00 1.00 O ATOM 190 CB GLU A 13 -8.381 -0.505 8.407 1.00 1.00 C ATOM 191 CG GLU A 13 -7.730 0.658 9.173 1.00 1.00 C ATOM 192 CD GLU A 13 -7.227 0.319 10.584 1.00 1.00 C ATOM 193 OE1 GLU A 13 -6.853 -0.841 10.883 1.00 1.00 O ATOM 194 OE2 GLU A 13 -7.222 1.224 11.450 1.00 1.00 O ATOM 0 H GLU A 13 -6.982 -0.290 6.316 1.00 1.00 H new ATOM 0 HA GLU A 13 -6.680 -1.745 8.717 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -8.919 -0.102 7.549 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.120 -0.979 9.053 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -6.891 1.032 8.587 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.453 1.470 9.249 1.00 1.00 H new ATOM 201 N ASN A 14 -8.776 -2.966 6.416 1.00 1.00 N ATOM 202 CA ASN A 14 -9.489 -4.154 5.982 1.00 1.00 C ATOM 203 C ASN A 14 -8.558 -5.351 5.778 1.00 1.00 C ATOM 204 O ASN A 14 -9.049 -6.483 5.792 1.00 1.00 O ATOM 205 CB ASN A 14 -10.308 -3.872 4.714 1.00 1.00 C ATOM 206 CG ASN A 14 -11.647 -3.170 4.931 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.288 -3.312 6.082 1.00 1.00 O flip ATOM 208 ND2 ASN A 14 -12.165 -2.532 4.011 1.00 1.00 N flip ATOM 0 H ASN A 14 -8.798 -2.206 5.736 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.177 -4.421 6.784 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -9.704 -3.262 4.042 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.493 -4.818 4.206 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -11.671 -2.423 3.125 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -13.087 -2.114 4.136 1.00 1.00 H new ATOM 215 N LEU A 15 -7.240 -5.158 5.682 1.00 1.00 N ATOM 216 CA LEU A 15 -6.309 -6.264 5.602 1.00 1.00 C ATOM 217 C LEU A 15 -6.033 -6.736 7.024 1.00 1.00 C ATOM 218 O LEU A 15 -6.099 -5.974 7.989 1.00 1.00 O ATOM 219 CB LEU A 15 -4.987 -5.816 4.965 1.00 1.00 C ATOM 220 CG LEU A 15 -4.987 -5.560 3.448 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.544 -5.556 2.929 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.791 -6.595 2.661 1.00 1.00 C ATOM 0 H LEU A 15 -6.801 -4.238 5.658 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.735 -7.059 4.991 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.666 -4.900 5.462 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.235 -6.575 5.179 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.465 -4.592 3.295 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.544 -5.375 1.854 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -2.979 -4.769 3.430 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.081 -6.521 3.134 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.750 -6.356 1.598 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.369 -7.586 2.827 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.828 -6.582 2.996 1.00 1.00 H new ATOM 234 N THR A 16 -5.723 -8.016 7.151 1.00 1.00 N ATOM 235 CA THR A 16 -5.438 -8.681 8.412 1.00 1.00 C ATOM 236 C THR A 16 -3.926 -8.822 8.574 1.00 1.00 C ATOM 237 O THR A 16 -3.174 -8.456 7.671 1.00 1.00 O ATOM 238 CB THR A 16 -6.170 -10.032 8.395 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.892 -10.724 7.189 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.688 -9.855 8.489 1.00 1.00 C ATOM 0 H THR A 16 -5.661 -8.643 6.349 1.00 1.00 H new ATOM 0 HA THR A 16 -5.791 -8.110 9.270 1.00 1.00 H new ATOM 0 HB THR A 16 -5.816 -10.595 9.259 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.362 -11.584 7.190 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.170 -10.833 8.474 1.00 1.00 H new ATOM 0 HG22 THR A 16 -7.938 -9.342 9.418 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.039 -9.265 7.642 1.00 1.00 H new ATOM 248 N ALA A 17 -3.468 -9.359 9.707 1.00 1.00 N ATOM 249 CA ALA A 17 -2.046 -9.498 10.002 1.00 1.00 C ATOM 250 C ALA A 17 -1.299 -10.235 8.884 1.00 1.00 C ATOM 251 O ALA A 17 -0.205 -9.810 8.514 1.00 1.00 O ATOM 252 CB ALA A 17 -1.855 -10.207 11.347 1.00 1.00 C ATOM 0 H ALA A 17 -4.077 -9.710 10.446 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.618 -8.498 10.065 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -0.790 -10.306 11.558 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.329 -9.624 12.136 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.310 -11.197 11.304 1.00 1.00 H new ATOM 258 N GLU A 18 -1.880 -11.309 8.335 1.00 1.00 N ATOM 259 CA GLU A 18 -1.298 -12.074 7.235 1.00 1.00 C ATOM 260 C GLU A 18 -1.188 -11.202 5.984 1.00 1.00 C ATOM 261 O GLU A 18 -0.118 -11.094 5.390 1.00 1.00 O ATOM 262 CB GLU A 18 -2.160 -13.314 6.949 1.00 1.00 C ATOM 263 CG GLU A 18 -1.518 -14.299 5.953 1.00 1.00 C ATOM 264 CD GLU A 18 -0.481 -15.200 6.623 1.00 1.00 C ATOM 265 OE1 GLU A 18 -0.860 -15.997 7.513 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.729 -15.161 6.290 1.00 1.00 O ATOM 0 H GLU A 18 -2.780 -11.673 8.650 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.297 -12.398 7.519 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.354 -13.834 7.887 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.125 -12.992 6.557 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.295 -14.915 5.501 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -1.045 -13.740 5.146 1.00 1.00 H new ATOM 273 N GLU A 19 -2.274 -10.556 5.563 1.00 1.00 N ATOM 274 CA GLU A 19 -2.214 -9.785 4.332 1.00 1.00 C ATOM 275 C GLU A 19 -1.319 -8.557 4.519 1.00 1.00 C ATOM 276 O GLU A 19 -0.649 -8.135 3.582 1.00 1.00 O ATOM 277 CB GLU A 19 -3.613 -9.430 3.835 1.00 1.00 C ATOM 278 CG GLU A 19 -4.483 -10.656 3.521 1.00 1.00 C ATOM 279 CD GLU A 19 -3.794 -11.747 2.687 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.774 -11.682 1.434 1.00 1.00 O ATOM 281 OE2 GLU A 19 -3.299 -12.735 3.276 1.00 1.00 O ATOM 0 H GLU A 19 -3.176 -10.551 6.040 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.761 -10.397 3.552 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.114 -8.823 4.589 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.526 -8.817 2.938 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.817 -11.095 4.461 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.375 -10.323 2.990 1.00 1.00 H new ATOM 288 N LEU A 20 -1.238 -7.997 5.724 1.00 1.00 N ATOM 289 CA LEU A 20 -0.323 -6.902 6.005 1.00 1.00 C ATOM 290 C LEU A 20 1.114 -7.415 5.994 1.00 1.00 C ATOM 291 O LEU A 20 1.980 -6.700 5.500 1.00 1.00 O ATOM 292 CB LEU A 20 -0.690 -6.154 7.297 1.00 1.00 C ATOM 293 CG LEU A 20 -1.947 -5.273 7.126 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.297 -4.563 8.426 1.00 1.00 C ATOM 295 CD2 LEU A 20 -1.759 -4.166 6.077 1.00 1.00 C ATOM 0 H LEU A 20 -1.800 -8.288 6.524 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.414 -6.157 5.214 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -0.860 -6.875 8.096 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.149 -5.530 7.604 1.00 1.00 H new ATOM 0 HG LEU A 20 -2.733 -5.959 6.812 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.186 -3.950 8.278 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.492 -5.302 9.203 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.464 -3.928 8.729 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.674 -3.579 6.000 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -0.936 -3.517 6.376 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.533 -4.616 5.110 1.00 1.00 H new ATOM 307 N LYS A 21 1.397 -8.642 6.450 1.00 1.00 N ATOM 308 CA LYS A 21 2.730 -9.247 6.364 1.00 1.00 C ATOM 309 C LYS A 21 3.170 -9.194 4.908 1.00 1.00 C ATOM 310 O LYS A 21 4.242 -8.672 4.580 1.00 1.00 O ATOM 311 CB LYS A 21 2.656 -10.718 6.809 1.00 1.00 C ATOM 312 CG LYS A 21 4.022 -11.414 6.856 1.00 1.00 C ATOM 313 CD LYS A 21 3.860 -12.893 7.222 1.00 1.00 C ATOM 314 CE LYS A 21 5.190 -13.619 6.998 1.00 1.00 C ATOM 315 NZ LYS A 21 4.999 -15.071 6.814 1.00 1.00 N ATOM 0 H LYS A 21 0.703 -9.245 6.891 1.00 1.00 H new ATOM 0 HA LYS A 21 3.432 -8.712 7.004 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.198 -10.768 7.797 1.00 1.00 H new ATOM 0 HB3 LYS A 21 2.003 -11.263 6.127 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.515 -11.325 5.888 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.663 -10.921 7.587 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.550 -12.990 8.263 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.078 -13.347 6.613 1.00 1.00 H new ATOM 0 HE2 LYS A 21 5.687 -13.204 6.121 1.00 1.00 H new ATOM 0 HE3 LYS A 21 5.847 -13.444 7.850 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 5.922 -15.526 6.665 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 4.548 -15.472 7.661 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 4.393 -15.239 5.986 1.00 1.00 H new ATOM 329 N LYS A 22 2.307 -9.752 4.053 1.00 1.00 N ATOM 330 CA LYS A 22 2.498 -9.836 2.624 1.00 1.00 C ATOM 331 C LYS A 22 2.712 -8.432 2.097 1.00 1.00 C ATOM 332 O LYS A 22 3.783 -8.177 1.576 1.00 1.00 O ATOM 333 CB LYS A 22 1.273 -10.491 1.980 1.00 1.00 C ATOM 334 CG LYS A 22 1.005 -11.948 2.367 1.00 1.00 C ATOM 335 CD LYS A 22 2.000 -12.889 1.705 1.00 1.00 C ATOM 336 CE LYS A 22 1.622 -14.327 2.041 1.00 1.00 C ATOM 337 NZ LYS A 22 2.657 -15.260 1.564 1.00 1.00 N ATOM 0 H LYS A 22 1.428 -10.169 4.361 1.00 1.00 H new ATOM 0 HA LYS A 22 3.367 -10.448 2.381 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.394 -9.901 2.237 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.386 -10.439 0.897 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.065 -12.056 3.450 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -0.008 -12.223 2.075 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.997 -12.741 0.625 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.010 -12.674 2.053 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.497 -14.434 3.119 1.00 1.00 H new ATOM 0 HE3 LYS A 22 0.664 -14.573 1.583 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 2.382 -16.234 1.802 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.757 -15.170 0.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.564 -15.035 2.020 1.00 1.00 H new ATOM 351 N PHE A 23 1.755 -7.520 2.253 1.00 1.00 N ATOM 352 CA PHE A 23 1.794 -6.165 1.716 1.00 1.00 C ATOM 353 C PHE A 23 3.115 -5.473 2.055 1.00 1.00 C ATOM 354 O PHE A 23 3.822 -4.960 1.182 1.00 1.00 O ATOM 355 CB PHE A 23 0.601 -5.390 2.290 1.00 1.00 C ATOM 356 CG PHE A 23 0.433 -4.003 1.707 1.00 1.00 C ATOM 357 CD1 PHE A 23 -0.347 -3.823 0.549 1.00 1.00 C ATOM 358 CD2 PHE A 23 1.080 -2.898 2.297 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.445 -2.551 -0.039 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.979 -1.630 1.701 1.00 1.00 C ATOM 361 CZ PHE A 23 0.248 -1.468 0.516 1.00 1.00 C ATOM 0 H PHE A 23 0.901 -7.713 2.776 1.00 1.00 H new ATOM 0 HA PHE A 23 1.727 -6.197 0.629 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.310 -5.961 2.112 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.720 -5.307 3.370 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -0.869 -4.662 0.113 1.00 1.00 H new ATOM 0 HD2 PHE A 23 1.652 -3.026 3.204 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -1.055 -2.408 -0.919 1.00 1.00 H new ATOM 0 HE2 PHE A 23 1.465 -0.780 2.156 1.00 1.00 H new ATOM 0 HZ PHE A 23 0.219 -0.504 0.029 1.00 1.00 H new ATOM 371 N LYS A 24 3.457 -5.468 3.343 1.00 1.00 N ATOM 372 CA LYS A 24 4.630 -4.801 3.867 1.00 1.00 C ATOM 373 C LYS A 24 5.913 -5.419 3.290 1.00 1.00 C ATOM 374 O LYS A 24 6.874 -4.686 3.067 1.00 1.00 O ATOM 375 CB LYS A 24 4.531 -4.801 5.400 1.00 1.00 C ATOM 376 CG LYS A 24 3.319 -3.981 5.912 1.00 1.00 C ATOM 377 CD LYS A 24 3.161 -4.034 7.437 1.00 1.00 C ATOM 378 CE LYS A 24 2.017 -3.123 7.914 1.00 1.00 C ATOM 379 NZ LYS A 24 1.993 -3.001 9.386 1.00 1.00 N ATOM 0 H LYS A 24 2.908 -5.941 4.061 1.00 1.00 H new ATOM 0 HA LYS A 24 4.678 -3.758 3.552 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.449 -5.828 5.756 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.449 -4.390 5.821 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.432 -2.943 5.600 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.409 -4.357 5.445 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.965 -5.060 7.749 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.093 -3.729 7.912 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.129 -2.134 7.469 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.064 -3.523 7.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.024 -3.153 9.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.625 -3.713 9.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.313 -2.050 9.661 1.00 1.00 H new ATOM 393 N LEU A 25 5.964 -6.735 3.044 1.00 1.00 N ATOM 394 CA LEU A 25 7.101 -7.381 2.383 1.00 1.00 C ATOM 395 C LEU A 25 7.084 -7.062 0.895 1.00 1.00 C ATOM 396 O LEU A 25 8.124 -6.712 0.355 1.00 1.00 O ATOM 397 CB LEU A 25 7.040 -8.916 2.546 1.00 1.00 C ATOM 398 CG LEU A 25 7.563 -9.430 3.894 1.00 1.00 C ATOM 399 CD1 LEU A 25 7.034 -10.837 4.183 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.093 -9.483 3.871 1.00 1.00 C ATOM 0 H LEU A 25 5.216 -7.380 3.299 1.00 1.00 H new ATOM 0 HA LEU A 25 8.012 -7.003 2.847 1.00 1.00 H new ATOM 0 HB2 LEU A 25 6.007 -9.242 2.422 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.618 -9.378 1.745 1.00 1.00 H new ATOM 0 HG LEU A 25 7.218 -8.748 4.671 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.418 -11.180 5.144 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.945 -10.817 4.214 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.362 -11.518 3.397 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.459 -9.849 4.830 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.422 -10.154 3.078 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.489 -8.484 3.688 1.00 1.00 H new ATOM 412 N LYS A 26 5.936 -7.187 0.223 1.00 1.00 N ATOM 413 CA LYS A 26 5.749 -6.987 -1.213 1.00 1.00 C ATOM 414 C LYS A 26 6.345 -5.647 -1.619 1.00 1.00 C ATOM 415 O LYS A 26 7.121 -5.610 -2.572 1.00 1.00 O ATOM 416 CB LYS A 26 4.255 -7.046 -1.579 1.00 1.00 C ATOM 417 CG LYS A 26 3.552 -8.404 -1.409 1.00 1.00 C ATOM 418 CD LYS A 26 3.307 -9.155 -2.722 1.00 1.00 C ATOM 419 CE LYS A 26 4.568 -9.860 -3.206 1.00 1.00 C ATOM 420 NZ LYS A 26 4.857 -11.069 -2.417 1.00 1.00 N ATOM 0 H LYS A 26 5.068 -7.444 0.693 1.00 1.00 H new ATOM 0 HA LYS A 26 6.259 -7.785 -1.753 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.727 -6.312 -0.971 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.147 -6.736 -2.618 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.154 -9.032 -0.752 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.596 -8.245 -0.911 1.00 1.00 H new ATOM 0 HD2 LYS A 26 2.511 -9.887 -2.581 1.00 1.00 H new ATOM 0 HD3 LYS A 26 2.965 -8.455 -3.484 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.453 -10.130 -4.256 1.00 1.00 H new ATOM 0 HE3 LYS A 26 5.414 -9.175 -3.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 5.581 -11.636 -2.903 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 5.206 -10.795 -1.477 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 3.989 -11.632 -2.313 1.00 1.00 H new ATOM 434 N LEU A 27 6.046 -4.578 -0.865 1.00 1.00 N ATOM 435 CA LEU A 27 6.624 -3.252 -1.073 1.00 1.00 C ATOM 436 C LEU A 27 8.126 -3.203 -1.214 1.00 1.00 C ATOM 437 O LEU A 27 8.625 -2.312 -1.900 1.00 1.00 O ATOM 438 CB LEU A 27 6.213 -2.268 0.036 1.00 1.00 C ATOM 439 CG LEU A 27 4.831 -1.679 -0.224 1.00 1.00 C ATOM 440 CD1 LEU A 27 4.213 -1.052 1.025 1.00 1.00 C ATOM 441 CD2 LEU A 27 5.035 -0.569 -1.264 1.00 1.00 C ATOM 0 H LEU A 27 5.388 -4.616 -0.086 1.00 1.00 H new ATOM 0 HA LEU A 27 6.208 -2.957 -2.036 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.216 -2.780 0.998 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.946 -1.464 0.101 1.00 1.00 H new ATOM 0 HG LEU A 27 4.158 -2.471 -0.553 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.230 -0.649 0.781 1.00 1.00 H new ATOM 0 HD12 LEU A 27 4.112 -1.811 1.801 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.856 -0.249 1.385 1.00 1.00 H new ATOM 0 HD21 LEU A 27 4.076 -0.105 -1.494 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.715 0.183 -0.865 1.00 1.00 H new ATOM 0 HD23 LEU A 27 5.459 -0.996 -2.173 1.00 1.00 H new ATOM 453 N LEU A 28 8.829 -4.129 -0.576 1.00 1.00 N ATOM 454 CA LEU A 28 10.277 -4.159 -0.541 1.00 1.00 C ATOM 455 C LEU A 28 10.720 -5.572 -0.958 1.00 1.00 C ATOM 456 O LEU A 28 11.649 -6.153 -0.394 1.00 1.00 O ATOM 457 CB LEU A 28 10.713 -3.743 0.874 1.00 1.00 C ATOM 458 CG LEU A 28 12.168 -3.206 0.975 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.904 -3.847 2.151 1.00 1.00 C ATOM 460 CD2 LEU A 28 13.030 -3.214 -0.306 1.00 1.00 C ATOM 0 H LEU A 28 8.396 -4.894 -0.059 1.00 1.00 H new ATOM 0 HA LEU A 28 10.751 -3.464 -1.234 1.00 1.00 H new ATOM 0 HB2 LEU A 28 10.031 -2.975 1.238 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.610 -4.601 1.538 1.00 1.00 H new ATOM 0 HG LEU A 28 12.024 -2.139 1.148 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.920 -3.456 2.201 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.380 -3.616 3.078 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.938 -4.928 2.014 1.00 1.00 H new ATOM 0 HD21 LEU A 28 14.018 -2.812 -0.082 1.00 1.00 H new ATOM 0 HD22 LEU A 28 13.129 -4.236 -0.672 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.553 -2.600 -1.070 1.00 1.00 H new ATOM 472 N SER A 29 10.003 -6.147 -1.926 1.00 1.00 N ATOM 473 CA SER A 29 10.267 -7.425 -2.557 1.00 1.00 C ATOM 474 C SER A 29 10.210 -7.143 -4.052 1.00 1.00 C ATOM 475 O SER A 29 11.236 -7.255 -4.729 1.00 1.00 O ATOM 476 CB SER A 29 9.277 -8.477 -2.044 1.00 1.00 C ATOM 477 OG SER A 29 9.630 -9.775 -2.472 1.00 1.00 O ATOM 0 H SER A 29 9.171 -5.697 -2.308 1.00 1.00 H new ATOM 0 HA SER A 29 11.241 -7.853 -2.318 1.00 1.00 H new ATOM 0 HB2 SER A 29 9.246 -8.448 -0.955 1.00 1.00 H new ATOM 0 HB3 SER A 29 8.274 -8.237 -2.397 1.00 1.00 H new ATOM 0 HG SER A 29 8.980 -10.422 -2.126 1.00 1.00 H new ATOM 483 N VAL A 30 9.055 -6.735 -4.583 1.00 1.00 N ATOM 484 CA VAL A 30 8.989 -6.329 -5.979 1.00 1.00 C ATOM 485 C VAL A 30 9.602 -4.915 -5.972 1.00 1.00 C ATOM 486 O VAL A 30 9.233 -4.097 -5.119 1.00 1.00 O ATOM 487 CB VAL A 30 7.558 -6.454 -6.542 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.459 -5.749 -5.732 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.522 -6.023 -8.007 1.00 1.00 C ATOM 0 H VAL A 30 8.172 -6.679 -4.075 1.00 1.00 H new ATOM 0 HA VAL A 30 9.544 -6.968 -6.666 1.00 1.00 H new ATOM 0 HB VAL A 30 7.315 -7.513 -6.456 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.495 -5.901 -6.217 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.428 -6.163 -4.724 1.00 1.00 H new ATOM 0 HG13 VAL A 30 6.674 -4.682 -5.679 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.506 -6.117 -8.389 1.00 1.00 H new ATOM 0 HG22 VAL A 30 7.846 -4.985 -8.089 1.00 1.00 H new ATOM 0 HG23 VAL A 30 8.189 -6.658 -8.590 1.00 1.00 H new ATOM 499 N PRO A 31 10.598 -4.608 -6.818 1.00 1.00 N ATOM 500 CA PRO A 31 11.278 -3.326 -6.769 1.00 1.00 C ATOM 501 C PRO A 31 10.330 -2.218 -7.236 1.00 1.00 C ATOM 502 O PRO A 31 9.659 -2.345 -8.268 1.00 1.00 O ATOM 503 CB PRO A 31 12.483 -3.476 -7.701 1.00 1.00 C ATOM 504 CG PRO A 31 11.997 -4.488 -8.735 1.00 1.00 C ATOM 505 CD PRO A 31 11.134 -5.423 -7.893 1.00 1.00 C ATOM 0 HA PRO A 31 11.597 -3.053 -5.763 1.00 1.00 H new ATOM 0 HB2 PRO A 31 12.756 -2.527 -8.163 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.363 -3.836 -7.168 1.00 1.00 H new ATOM 0 HG2 PRO A 31 11.424 -4.013 -9.531 1.00 1.00 H new ATOM 0 HG3 PRO A 31 12.825 -5.015 -9.209 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.333 -5.859 -8.490 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.724 -6.251 -7.499 1.00 1.00 H new ATOM 513 N LEU A 32 10.283 -1.113 -6.497 1.00 1.00 N ATOM 514 CA LEU A 32 9.504 0.052 -6.909 1.00 1.00 C ATOM 515 C LEU A 32 10.361 0.874 -7.886 1.00 1.00 C ATOM 516 O LEU A 32 11.582 0.685 -7.935 1.00 1.00 O ATOM 517 CB LEU A 32 9.078 0.848 -5.672 1.00 1.00 C ATOM 518 CG LEU A 32 7.959 1.848 -6.032 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.735 1.641 -5.142 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.478 3.278 -5.915 1.00 1.00 C ATOM 0 H LEU A 32 10.775 -0.999 -5.610 1.00 1.00 H new ATOM 0 HA LEU A 32 8.587 -0.238 -7.422 1.00 1.00 H new ATOM 0 HB2 LEU A 32 8.729 0.167 -4.896 1.00 1.00 H new ATOM 0 HB3 LEU A 32 9.935 1.384 -5.264 1.00 1.00 H new ATOM 0 HG LEU A 32 7.654 1.670 -7.063 1.00 1.00 H new ATOM 0 HD11 LEU A 32 5.961 2.358 -5.416 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.355 0.628 -5.275 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.014 1.789 -4.099 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.681 3.976 -6.171 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.808 3.463 -4.893 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.316 3.418 -6.598 1.00 1.00 H new ATOM 532 N ARG A 33 9.771 1.829 -8.611 1.00 1.00 N ATOM 533 CA ARG A 33 10.476 2.581 -9.649 1.00 1.00 C ATOM 534 C ARG A 33 11.462 3.593 -9.057 1.00 1.00 C ATOM 535 O ARG A 33 11.589 3.729 -7.842 1.00 1.00 O ATOM 536 CB ARG A 33 9.475 3.325 -10.559 1.00 1.00 C ATOM 537 CG ARG A 33 8.294 2.479 -11.052 1.00 1.00 C ATOM 538 CD ARG A 33 7.832 2.927 -12.452 1.00 1.00 C ATOM 539 NE ARG A 33 6.551 2.315 -12.844 1.00 1.00 N ATOM 540 CZ ARG A 33 6.257 1.010 -12.903 1.00 1.00 C ATOM 541 NH1 ARG A 33 7.199 0.076 -12.852 1.00 1.00 N ATOM 542 NH2 ARG A 33 4.990 0.643 -12.989 1.00 1.00 N ATOM 0 H ARG A 33 8.795 2.101 -8.494 1.00 1.00 H new ATOM 0 HA ARG A 33 11.039 1.854 -10.235 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.084 4.186 -10.016 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.012 3.711 -11.425 1.00 1.00 H new ATOM 0 HG2 ARG A 33 8.583 1.428 -11.081 1.00 1.00 H new ATOM 0 HG3 ARG A 33 7.465 2.562 -10.349 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.733 4.012 -12.469 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.596 2.665 -13.184 1.00 1.00 H new ATOM 0 HE ARG A 33 5.802 2.959 -13.100 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.179 0.344 -12.765 1.00 1.00 H new ATOM 0 HH12 ARG A 33 6.943 -0.910 -12.899 1.00 1.00 H new ATOM 0 HH21 ARG A 33 4.255 1.350 -13.010 1.00 1.00 H new ATOM 0 HH22 ARG A 33 4.748 -0.347 -13.035 1.00 1.00 H new ATOM 556 N GLU A 34 12.208 4.247 -9.936 1.00 1.00 N ATOM 557 CA GLU A 34 13.141 5.332 -9.664 1.00 1.00 C ATOM 558 C GLU A 34 12.316 6.624 -9.617 1.00 1.00 C ATOM 559 O GLU A 34 11.148 6.642 -10.017 1.00 1.00 O ATOM 560 CB GLU A 34 14.155 5.350 -10.820 1.00 1.00 C ATOM 561 CG GLU A 34 15.312 6.356 -10.699 1.00 1.00 C ATOM 562 CD GLU A 34 16.208 6.341 -11.938 1.00 1.00 C ATOM 563 OE1 GLU A 34 15.693 6.140 -13.065 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.437 6.554 -11.816 1.00 1.00 O ATOM 0 H GLU A 34 12.175 4.017 -10.929 1.00 1.00 H new ATOM 0 HA GLU A 34 13.679 5.219 -8.723 1.00 1.00 H new ATOM 0 HB2 GLU A 34 14.580 4.351 -10.917 1.00 1.00 H new ATOM 0 HB3 GLU A 34 13.616 5.559 -11.744 1.00 1.00 H new ATOM 0 HG2 GLU A 34 14.909 7.358 -10.554 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.907 6.121 -9.817 1.00 1.00 H new ATOM 571 N GLY A 35 12.890 7.712 -9.110 1.00 1.00 N ATOM 572 CA GLY A 35 12.197 8.989 -8.985 1.00 1.00 C ATOM 573 C GLY A 35 11.148 8.969 -7.872 1.00 1.00 C ATOM 574 O GLY A 35 10.414 9.947 -7.704 1.00 1.00 O ATOM 0 H GLY A 35 13.853 7.732 -8.773 1.00 1.00 H new ATOM 0 HA2 GLY A 35 12.923 9.777 -8.784 1.00 1.00 H new ATOM 0 HA3 GLY A 35 11.715 9.234 -9.932 1.00 1.00 H new ATOM 578 N TYR A 36 11.088 7.871 -7.122 1.00 1.00 N ATOM 579 CA TYR A 36 10.278 7.610 -5.962 1.00 1.00 C ATOM 580 C TYR A 36 11.163 6.823 -4.994 1.00 1.00 C ATOM 581 O TYR A 36 12.155 6.211 -5.408 1.00 1.00 O ATOM 582 CB TYR A 36 9.065 6.782 -6.378 1.00 1.00 C ATOM 583 CG TYR A 36 8.093 7.479 -7.309 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.346 8.578 -6.847 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.931 7.026 -8.631 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.439 9.222 -7.704 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.020 7.661 -9.492 1.00 1.00 C ATOM 588 CZ TYR A 36 6.274 8.768 -9.032 1.00 1.00 C ATOM 589 OH TYR A 36 5.455 9.441 -9.887 1.00 1.00 O ATOM 0 H TYR A 36 11.672 7.065 -7.346 1.00 1.00 H new ATOM 0 HA TYR A 36 9.915 8.526 -5.496 1.00 1.00 H new ATOM 0 HB2 TYR A 36 9.417 5.871 -6.862 1.00 1.00 H new ATOM 0 HB3 TYR A 36 8.528 6.478 -5.480 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.470 8.927 -5.832 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.510 6.186 -8.986 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.867 10.066 -7.348 1.00 1.00 H new ATOM 0 HE2 TYR A 36 6.891 7.303 -10.503 1.00 1.00 H new ATOM 0 HH TYR A 36 5.456 8.996 -10.760 1.00 1.00 H new ATOM 599 N GLY A 37 10.804 6.813 -3.714 1.00 1.00 N ATOM 600 CA GLY A 37 11.587 6.174 -2.662 1.00 1.00 C ATOM 601 C GLY A 37 11.053 4.783 -2.340 1.00 1.00 C ATOM 602 O GLY A 37 10.036 4.354 -2.888 1.00 1.00 O ATOM 0 H GLY A 37 9.950 7.254 -3.374 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.629 6.102 -2.974 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.565 6.791 -1.764 1.00 1.00 H new ATOM 606 N ARG A 38 11.696 4.076 -1.406 1.00 1.00 N ATOM 607 CA ARG A 38 11.306 2.731 -0.979 1.00 1.00 C ATOM 608 C ARG A 38 11.243 2.703 0.544 1.00 1.00 C ATOM 609 O ARG A 38 12.268 2.897 1.205 1.00 1.00 O ATOM 610 CB ARG A 38 12.266 1.687 -1.588 1.00 1.00 C ATOM 611 CG ARG A 38 12.224 1.775 -3.122 1.00 1.00 C ATOM 612 CD ARG A 38 12.804 0.567 -3.864 1.00 1.00 C ATOM 613 NE ARG A 38 13.044 0.941 -5.276 1.00 1.00 N ATOM 614 CZ ARG A 38 14.051 1.716 -5.706 1.00 1.00 C ATOM 615 NH1 ARG A 38 15.184 1.809 -5.018 1.00 1.00 N ATOM 616 NH2 ARG A 38 13.896 2.409 -6.823 1.00 1.00 N ATOM 0 H ARG A 38 12.518 4.430 -0.917 1.00 1.00 H new ATOM 0 HA ARG A 38 10.314 2.469 -1.345 1.00 1.00 H new ATOM 0 HB2 ARG A 38 13.281 1.862 -1.232 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.982 0.686 -1.264 1.00 1.00 H new ATOM 0 HG2 ARG A 38 11.188 1.908 -3.433 1.00 1.00 H new ATOM 0 HG3 ARG A 38 12.768 2.667 -3.433 1.00 1.00 H new ATOM 0 HD2 ARG A 38 13.735 0.248 -3.395 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.115 -0.276 -3.809 1.00 1.00 H new ATOM 0 HE ARG A 38 12.394 0.582 -5.975 1.00 1.00 H new ATOM 0 HH11 ARG A 38 15.297 1.287 -4.149 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.940 2.403 -5.359 1.00 1.00 H new ATOM 0 HH21 ARG A 38 13.021 2.349 -7.343 1.00 1.00 H new ATOM 0 HH22 ARG A 38 14.652 3.003 -7.164 1.00 1.00 H new ATOM 630 N ILE A 39 10.046 2.536 1.111 1.00 1.00 N ATOM 631 CA ILE A 39 9.835 2.487 2.558 1.00 1.00 C ATOM 632 C ILE A 39 10.137 1.028 2.937 1.00 1.00 C ATOM 633 O ILE A 39 9.481 0.134 2.396 1.00 1.00 O ATOM 634 CB ILE A 39 8.386 2.894 2.938 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.977 4.265 2.345 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.252 2.936 4.472 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.500 4.632 2.557 1.00 1.00 C ATOM 0 H ILE A 39 9.187 2.430 0.571 1.00 1.00 H new ATOM 0 HA ILE A 39 10.473 3.190 3.094 1.00 1.00 H new ATOM 0 HB ILE A 39 7.716 2.146 2.514 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.599 5.041 2.791 1.00 1.00 H new ATOM 0 HG13 ILE A 39 8.189 4.263 1.276 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.235 3.222 4.741 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.473 1.951 4.884 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.953 3.665 4.879 1.00 1.00 H new ATOM 0 HD11 ILE A 39 6.300 5.606 2.111 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.867 3.880 2.086 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.284 4.670 3.625 1.00 1.00 H new ATOM 649 N PRO A 40 11.129 0.737 3.794 1.00 1.00 N ATOM 650 CA PRO A 40 11.500 -0.639 4.074 1.00 1.00 C ATOM 651 C PRO A 40 10.424 -1.357 4.883 1.00 1.00 C ATOM 652 O PRO A 40 9.692 -0.753 5.669 1.00 1.00 O ATOM 653 CB PRO A 40 12.821 -0.566 4.836 1.00 1.00 C ATOM 654 CG PRO A 40 12.712 0.771 5.562 1.00 1.00 C ATOM 655 CD PRO A 40 11.928 1.655 4.590 1.00 1.00 C ATOM 0 HA PRO A 40 11.605 -1.215 3.155 1.00 1.00 H new ATOM 0 HB2 PRO A 40 12.934 -1.397 5.532 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.679 -0.594 4.164 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.193 0.667 6.515 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.695 1.189 5.778 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.296 2.364 5.125 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.600 2.239 3.961 1.00 1.00 H new ATOM 663 N ARG A 41 10.419 -2.684 4.770 1.00 1.00 N ATOM 664 CA ARG A 41 9.479 -3.574 5.438 1.00 1.00 C ATOM 665 C ARG A 41 9.473 -3.312 6.947 1.00 1.00 C ATOM 666 O ARG A 41 8.400 -3.155 7.514 1.00 1.00 O ATOM 667 CB ARG A 41 9.839 -5.016 5.044 1.00 1.00 C ATOM 668 CG ARG A 41 8.946 -6.092 5.677 1.00 1.00 C ATOM 669 CD ARG A 41 9.768 -7.251 6.252 1.00 1.00 C ATOM 670 NE ARG A 41 10.531 -6.868 7.453 1.00 1.00 N ATOM 671 CZ ARG A 41 10.248 -7.200 8.719 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.166 -7.907 9.031 1.00 1.00 N ATOM 673 NH2 ARG A 41 11.061 -6.817 9.693 1.00 1.00 N ATOM 0 H ARG A 41 11.094 -3.183 4.190 1.00 1.00 H new ATOM 0 HA ARG A 41 8.452 -3.391 5.121 1.00 1.00 H new ATOM 0 HB2 ARG A 41 9.783 -5.107 3.959 1.00 1.00 H new ATOM 0 HB3 ARG A 41 10.874 -5.209 5.327 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.345 -5.645 6.469 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.253 -6.475 4.928 1.00 1.00 H new ATOM 0 HD2 ARG A 41 9.101 -8.077 6.499 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.457 -7.615 5.490 1.00 1.00 H new ATOM 0 HE ARG A 41 11.359 -6.291 7.305 1.00 1.00 H new ATOM 0 HH11 ARG A 41 8.526 -8.211 8.297 1.00 1.00 H new ATOM 0 HH12 ARG A 41 8.976 -8.145 10.004 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.896 -6.273 9.476 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.852 -7.066 10.660 1.00 1.00 H new ATOM 687 N GLY A 42 10.630 -3.191 7.599 1.00 1.00 N ATOM 688 CA GLY A 42 10.691 -2.911 9.030 1.00 1.00 C ATOM 689 C GLY A 42 9.959 -1.623 9.436 1.00 1.00 C ATOM 690 O GLY A 42 9.277 -1.605 10.467 1.00 1.00 O ATOM 0 H GLY A 42 11.543 -3.284 7.153 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.260 -3.751 9.575 1.00 1.00 H new ATOM 0 HA3 GLY A 42 11.735 -2.836 9.333 1.00 1.00 H new ATOM 694 N ALA A 43 10.058 -0.556 8.635 1.00 1.00 N ATOM 695 CA ALA A 43 9.327 0.687 8.881 1.00 1.00 C ATOM 696 C ALA A 43 7.830 0.454 8.671 1.00 1.00 C ATOM 697 O ALA A 43 7.001 0.864 9.489 1.00 1.00 O ATOM 698 CB ALA A 43 9.820 1.803 7.952 1.00 1.00 C ATOM 0 H ALA A 43 10.646 -0.532 7.802 1.00 1.00 H new ATOM 0 HA ALA A 43 9.505 0.997 9.911 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.262 2.717 8.153 1.00 1.00 H new ATOM 0 HB2 ALA A 43 10.881 1.980 8.127 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.668 1.506 6.914 1.00 1.00 H new ATOM 704 N LEU A 44 7.485 -0.240 7.587 1.00 1.00 N ATOM 705 CA LEU A 44 6.107 -0.582 7.268 1.00 1.00 C ATOM 706 C LEU A 44 5.462 -1.356 8.422 1.00 1.00 C ATOM 707 O LEU A 44 4.275 -1.161 8.662 1.00 1.00 O ATOM 708 CB LEU A 44 6.033 -1.323 5.924 1.00 1.00 C ATOM 709 CG LEU A 44 6.456 -0.480 4.705 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.714 -1.378 3.495 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.380 0.542 4.330 1.00 1.00 C ATOM 0 H LEU A 44 8.161 -0.581 6.904 1.00 1.00 H new ATOM 0 HA LEU A 44 5.526 0.333 7.149 1.00 1.00 H new ATOM 0 HB2 LEU A 44 6.668 -2.208 5.976 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.012 -1.672 5.772 1.00 1.00 H new ATOM 0 HG LEU A 44 7.369 0.047 4.982 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.012 -0.765 2.644 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.510 -2.085 3.729 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.804 -1.925 3.248 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.711 1.119 3.467 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.454 0.022 4.085 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.207 1.214 5.171 1.00 1.00 H new ATOM 723 N LEU A 45 6.203 -2.214 9.138 1.00 1.00 N ATOM 724 CA LEU A 45 5.701 -2.903 10.333 1.00 1.00 C ATOM 725 C LEU A 45 5.661 -1.988 11.545 1.00 1.00 C ATOM 726 O LEU A 45 4.768 -2.164 12.376 1.00 1.00 O ATOM 727 CB LEU A 45 6.491 -4.154 10.737 1.00 1.00 C ATOM 728 CG LEU A 45 6.143 -5.436 9.971 1.00 1.00 C ATOM 729 CD1 LEU A 45 6.631 -5.444 8.531 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.816 -6.588 10.717 1.00 1.00 C ATOM 0 H LEU A 45 7.168 -2.449 8.904 1.00 1.00 H new ATOM 0 HA LEU A 45 4.699 -3.212 10.035 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.553 -3.950 10.603 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.333 -4.334 11.800 1.00 1.00 H new ATOM 0 HG LEU A 45 5.057 -5.521 9.927 1.00 1.00 H new ATOM 0 HD11 LEU A 45 6.347 -6.383 8.056 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.180 -4.612 7.989 1.00 1.00 H new ATOM 0 HD13 LEU A 45 7.716 -5.343 8.514 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.598 -7.527 10.209 1.00 1.00 H new ATOM 0 HD22 LEU A 45 7.894 -6.428 10.737 1.00 1.00 H new ATOM 0 HD23 LEU A 45 6.437 -6.631 11.738 1.00 1.00 H new ATOM 742 N SER A 46 6.608 -1.055 11.696 1.00 1.00 N ATOM 743 CA SER A 46 6.535 -0.098 12.782 1.00 1.00 C ATOM 744 C SER A 46 5.214 0.671 12.709 1.00 1.00 C ATOM 745 O SER A 46 4.637 1.005 13.742 1.00 1.00 O ATOM 746 CB SER A 46 7.772 0.804 12.762 1.00 1.00 C ATOM 747 OG SER A 46 7.731 1.834 11.793 1.00 1.00 O ATOM 0 H SER A 46 7.418 -0.950 11.085 1.00 1.00 H new ATOM 0 HA SER A 46 6.541 -0.610 13.744 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.894 1.254 13.747 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.653 0.188 12.582 1.00 1.00 H new ATOM 0 HG SER A 46 7.196 1.540 11.026 1.00 1.00 H new ATOM 753 N MET A 47 4.736 0.909 11.486 1.00 1.00 N ATOM 754 CA MET A 47 3.462 1.534 11.218 1.00 1.00 C ATOM 755 C MET A 47 2.298 0.542 11.162 1.00 1.00 C ATOM 756 O MET A 47 2.443 -0.663 10.947 1.00 1.00 O ATOM 757 CB MET A 47 3.562 2.253 9.869 1.00 1.00 C ATOM 758 CG MET A 47 4.574 3.396 9.928 1.00 1.00 C ATOM 759 SD MET A 47 4.573 4.494 8.489 1.00 1.00 S ATOM 760 CE MET A 47 4.928 3.326 7.154 1.00 1.00 C ATOM 0 H MET A 47 5.247 0.661 10.639 1.00 1.00 H new ATOM 0 HA MET A 47 3.252 2.220 12.039 1.00 1.00 H new ATOM 0 HB2 MET A 47 3.856 1.543 9.096 1.00 1.00 H new ATOM 0 HB3 MET A 47 2.584 2.643 9.588 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.376 3.991 10.820 1.00 1.00 H new ATOM 0 HG3 MET A 47 5.572 2.972 10.042 1.00 1.00 H new ATOM 0 HE1 MET A 47 5.012 3.866 6.211 1.00 1.00 H new ATOM 0 HE2 MET A 47 5.866 2.810 7.361 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.121 2.597 7.084 1.00 1.00 H new ATOM 770 N ASP A 48 1.117 1.125 11.301 1.00 1.00 N ATOM 771 CA ASP A 48 -0.235 0.604 11.203 1.00 1.00 C ATOM 772 C ASP A 48 -0.831 1.219 9.945 1.00 1.00 C ATOM 773 O ASP A 48 -0.131 1.878 9.177 1.00 1.00 O ATOM 774 CB ASP A 48 -1.065 0.986 12.436 1.00 1.00 C ATOM 775 CG ASP A 48 -0.753 2.403 12.902 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.124 3.364 12.200 1.00 1.00 O ATOM 777 OD2 ASP A 48 0.028 2.509 13.881 1.00 1.00 O ATOM 0 H ASP A 48 1.085 2.121 11.517 1.00 1.00 H new ATOM 0 HA ASP A 48 -0.233 -0.485 11.155 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -2.126 0.905 12.201 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.863 0.283 13.244 1.00 1.00 H new ATOM 782 N ALA A 49 -2.109 0.960 9.693 1.00 1.00 N ATOM 783 CA ALA A 49 -2.755 1.411 8.471 1.00 1.00 C ATOM 784 C ALA A 49 -2.859 2.936 8.407 1.00 1.00 C ATOM 785 O ALA A 49 -2.705 3.512 7.327 1.00 1.00 O ATOM 786 CB ALA A 49 -4.139 0.768 8.373 1.00 1.00 C ATOM 0 H ALA A 49 -2.718 0.438 10.323 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.144 1.103 7.622 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.631 1.101 7.459 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.036 -0.317 8.355 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.738 1.061 9.235 1.00 1.00 H new ATOM 792 N LEU A 50 -3.121 3.586 9.539 1.00 1.00 N ATOM 793 CA LEU A 50 -3.286 5.026 9.655 1.00 1.00 C ATOM 794 C LEU A 50 -1.960 5.739 9.400 1.00 1.00 C ATOM 795 O LEU A 50 -1.869 6.591 8.504 1.00 1.00 O ATOM 796 CB LEU A 50 -3.881 5.315 11.040 1.00 1.00 C ATOM 797 CG LEU A 50 -4.199 6.799 11.287 1.00 1.00 C ATOM 798 CD1 LEU A 50 -5.506 6.906 12.077 1.00 1.00 C ATOM 799 CD2 LEU A 50 -3.078 7.511 12.061 1.00 1.00 C ATOM 0 H LEU A 50 -3.227 3.103 10.431 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.971 5.412 8.900 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.795 4.733 11.160 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -3.182 4.972 11.803 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.292 7.287 10.317 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.738 7.956 12.256 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -6.314 6.448 11.507 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.398 6.391 13.031 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.347 8.556 12.212 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.941 7.028 13.029 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.150 7.454 11.492 1.00 1.00 H new ATOM 811 N ASP A 51 -0.927 5.381 10.168 1.00 1.00 N ATOM 812 CA ASP A 51 0.414 5.914 9.959 1.00 1.00 C ATOM 813 C ASP A 51 0.946 5.583 8.590 1.00 1.00 C ATOM 814 O ASP A 51 1.547 6.464 7.974 1.00 1.00 O ATOM 815 CB ASP A 51 1.432 5.493 11.024 1.00 1.00 C ATOM 816 CG ASP A 51 1.365 6.341 12.289 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.085 7.558 12.197 1.00 1.00 O ATOM 818 OD2 ASP A 51 1.771 5.847 13.364 1.00 1.00 O ATOM 0 H ASP A 51 -0.999 4.721 10.942 1.00 1.00 H new ATOM 0 HA ASP A 51 0.291 6.993 10.048 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.263 4.448 11.286 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.436 5.558 10.604 1.00 1.00 H new ATOM 823 N LEU A 52 0.736 4.359 8.090 1.00 1.00 N ATOM 824 CA LEU A 52 1.134 4.048 6.736 1.00 1.00 C ATOM 825 C LEU A 52 0.450 5.024 5.807 1.00 1.00 C ATOM 826 O LEU A 52 1.170 5.609 5.020 1.00 1.00 O ATOM 827 CB LEU A 52 0.805 2.596 6.367 1.00 1.00 C ATOM 828 CG LEU A 52 0.781 2.341 4.836 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.578 1.116 4.376 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.666 2.257 4.327 1.00 1.00 C ATOM 0 H LEU A 52 0.301 3.590 8.600 1.00 1.00 H new ATOM 0 HA LEU A 52 2.216 4.146 6.642 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.541 1.936 6.827 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.166 2.333 6.787 1.00 1.00 H new ATOM 0 HG LEU A 52 1.287 3.200 4.394 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.503 1.019 3.293 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.624 1.236 4.658 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.175 0.221 4.850 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.664 2.078 3.252 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.182 1.439 4.830 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.181 3.194 4.538 1.00 1.00 H new ATOM 842 N THR A 53 -0.869 5.196 5.862 1.00 1.00 N ATOM 843 CA THR A 53 -1.595 6.047 4.939 1.00 1.00 C ATOM 844 C THR A 53 -0.961 7.430 4.868 1.00 1.00 C ATOM 845 O THR A 53 -0.593 7.870 3.774 1.00 1.00 O ATOM 846 CB THR A 53 -3.078 6.080 5.335 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.598 4.787 5.142 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.848 7.084 4.476 1.00 1.00 C ATOM 0 H THR A 53 -1.463 4.742 6.556 1.00 1.00 H new ATOM 0 HA THR A 53 -1.537 5.639 3.930 1.00 1.00 H new ATOM 0 HB THR A 53 -3.179 6.389 6.375 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.320 4.209 5.883 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.896 7.090 4.775 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.426 8.080 4.613 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.771 6.799 3.427 1.00 1.00 H new ATOM 856 N ASP A 54 -0.826 8.112 6.007 1.00 1.00 N ATOM 857 CA ASP A 54 -0.219 9.445 5.967 1.00 1.00 C ATOM 858 C ASP A 54 1.249 9.443 5.558 1.00 1.00 C ATOM 859 O ASP A 54 1.645 10.298 4.756 1.00 1.00 O ATOM 860 CB ASP A 54 -0.502 10.296 7.206 1.00 1.00 C ATOM 861 CG ASP A 54 -1.878 10.954 7.087 1.00 1.00 C ATOM 862 OD1 ASP A 54 -1.976 12.012 6.417 1.00 1.00 O ATOM 863 OD2 ASP A 54 -2.878 10.468 7.660 1.00 1.00 O ATOM 0 H ASP A 54 -1.113 7.784 6.929 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.739 9.952 5.154 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -0.463 9.674 8.101 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.267 11.060 7.316 1.00 1.00 H new ATOM 868 N LYS A 55 2.052 8.477 6.025 1.00 1.00 N ATOM 869 CA LYS A 55 3.441 8.377 5.587 1.00 1.00 C ATOM 870 C LYS A 55 3.483 8.217 4.076 1.00 1.00 C ATOM 871 O LYS A 55 4.102 9.027 3.404 1.00 1.00 O ATOM 872 CB LYS A 55 4.234 7.238 6.265 1.00 1.00 C ATOM 873 CG LYS A 55 5.731 7.545 6.046 1.00 1.00 C ATOM 874 CD LYS A 55 6.729 6.555 6.649 1.00 1.00 C ATOM 875 CE LYS A 55 8.143 7.035 6.293 1.00 1.00 C ATOM 876 NZ LYS A 55 9.185 6.137 6.824 1.00 1.00 N ATOM 0 H LYS A 55 1.764 7.765 6.697 1.00 1.00 H new ATOM 0 HA LYS A 55 3.931 9.302 5.892 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.002 7.185 7.329 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.970 6.273 5.833 1.00 1.00 H new ATOM 0 HG2 LYS A 55 5.914 7.602 4.973 1.00 1.00 H new ATOM 0 HG3 LYS A 55 5.940 8.532 6.457 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.606 6.500 7.731 1.00 1.00 H new ATOM 0 HD3 LYS A 55 6.556 5.553 6.257 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.240 7.101 5.209 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.295 8.039 6.689 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 10.123 6.500 6.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 9.110 6.093 7.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 9.058 5.184 6.427 1.00 1.00 H new ATOM 890 N LEU A 56 2.859 7.165 3.568 1.00 1.00 N ATOM 891 CA LEU A 56 2.805 6.693 2.194 1.00 1.00 C ATOM 892 C LEU A 56 2.358 7.808 1.265 1.00 1.00 C ATOM 893 O LEU A 56 3.004 8.023 0.247 1.00 1.00 O ATOM 894 CB LEU A 56 1.861 5.482 2.210 1.00 1.00 C ATOM 895 CG LEU A 56 1.551 4.662 0.961 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.560 5.366 0.043 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.739 4.127 0.171 1.00 1.00 C ATOM 0 H LEU A 56 2.317 6.553 4.179 1.00 1.00 H new ATOM 0 HA LEU A 56 3.779 6.391 1.810 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.261 4.786 2.948 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.905 5.838 2.593 1.00 1.00 H new ATOM 0 HG LEU A 56 1.092 3.766 1.379 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.370 4.745 -0.832 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.375 5.535 0.578 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.974 6.323 -0.274 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.379 3.563 -0.690 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.353 4.960 -0.171 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.336 3.474 0.808 1.00 1.00 H new ATOM 909 N VAL A 57 1.301 8.545 1.596 1.00 1.00 N ATOM 910 CA VAL A 57 0.902 9.685 0.784 1.00 1.00 C ATOM 911 C VAL A 57 2.010 10.741 0.779 1.00 1.00 C ATOM 912 O VAL A 57 2.491 11.098 -0.294 1.00 1.00 O ATOM 913 CB VAL A 57 -0.481 10.184 1.243 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.782 11.627 0.826 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.541 9.228 0.660 1.00 1.00 C ATOM 0 H VAL A 57 0.713 8.374 2.412 1.00 1.00 H new ATOM 0 HA VAL A 57 0.779 9.402 -0.262 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.497 10.186 2.333 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.772 11.910 1.183 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.036 12.294 1.258 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.752 11.705 -0.261 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.534 9.555 0.968 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.478 9.235 -0.428 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.361 8.218 1.028 1.00 1.00 H new ATOM 925 N SER A 58 2.464 11.214 1.942 1.00 1.00 N ATOM 926 CA SER A 58 3.442 12.298 1.987 1.00 1.00 C ATOM 927 C SER A 58 4.814 11.881 1.428 1.00 1.00 C ATOM 928 O SER A 58 5.610 12.732 1.039 1.00 1.00 O ATOM 929 CB SER A 58 3.555 12.755 3.444 1.00 1.00 C ATOM 930 OG SER A 58 4.081 14.061 3.548 1.00 1.00 O ATOM 0 H SER A 58 2.172 10.866 2.855 1.00 1.00 H new ATOM 0 HA SER A 58 3.104 13.115 1.350 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.571 12.722 3.912 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.193 12.062 3.993 1.00 1.00 H new ATOM 0 HG SER A 58 4.136 14.317 4.492 1.00 1.00 H new ATOM 936 N PHE A 59 5.131 10.587 1.438 1.00 1.00 N ATOM 937 CA PHE A 59 6.367 10.018 0.924 1.00 1.00 C ATOM 938 C PHE A 59 6.354 9.952 -0.601 1.00 1.00 C ATOM 939 O PHE A 59 7.421 9.958 -1.222 1.00 1.00 O ATOM 940 CB PHE A 59 6.566 8.627 1.537 1.00 1.00 C ATOM 941 CG PHE A 59 7.971 8.080 1.497 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.830 8.298 2.590 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.389 7.274 0.429 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.090 7.679 2.622 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.634 6.632 0.479 1.00 1.00 C ATOM 946 CZ PHE A 59 10.491 6.834 1.573 1.00 1.00 C ATOM 0 H PHE A 59 4.504 9.880 1.822 1.00 1.00 H new ATOM 0 HA PHE A 59 7.202 10.659 1.206 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.240 8.660 2.577 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.910 7.927 1.020 1.00 1.00 H new ATOM 0 HD1 PHE A 59 8.521 8.940 3.402 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.751 7.148 -0.433 1.00 1.00 H new ATOM 0 HE1 PHE A 59 10.754 7.853 3.456 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.935 5.979 -0.327 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.452 6.343 1.608 1.00 1.00 H new ATOM 956 N TYR A 60 5.168 9.866 -1.208 1.00 1.00 N ATOM 957 CA TYR A 60 5.007 9.704 -2.639 1.00 1.00 C ATOM 958 C TYR A 60 4.141 10.865 -3.124 1.00 1.00 C ATOM 959 O TYR A 60 4.667 11.969 -3.250 1.00 1.00 O ATOM 960 CB TYR A 60 4.395 8.308 -2.880 1.00 1.00 C ATOM 961 CG TYR A 60 5.341 7.141 -2.635 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.114 6.625 -3.687 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.358 6.478 -1.391 1.00 1.00 C ATOM 964 CE1 TYR A 60 6.888 5.471 -3.487 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.092 5.298 -1.199 1.00 1.00 C ATOM 966 CZ TYR A 60 6.880 4.797 -2.248 1.00 1.00 C ATOM 967 OH TYR A 60 7.644 3.689 -2.054 1.00 1.00 O ATOM 0 H TYR A 60 4.283 9.909 -0.703 1.00 1.00 H new ATOM 0 HA TYR A 60 5.940 9.740 -3.201 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.525 8.193 -2.234 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.038 8.257 -3.908 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.113 7.115 -4.649 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.793 6.888 -0.567 1.00 1.00 H new ATOM 0 HE1 TYR A 60 7.499 5.094 -4.294 1.00 1.00 H new ATOM 0 HE2 TYR A 60 6.051 4.779 -0.253 1.00 1.00 H new ATOM 0 HH TYR A 60 8.592 3.933 -2.102 1.00 1.00 H new ATOM 977 N LEU A 61 2.833 10.653 -3.274 1.00 1.00 N ATOM 978 CA LEU A 61 1.764 11.583 -3.623 1.00 1.00 C ATOM 979 C LEU A 61 0.474 10.909 -3.150 1.00 1.00 C ATOM 980 O LEU A 61 0.466 9.705 -2.894 1.00 1.00 O ATOM 981 CB LEU A 61 1.597 11.781 -5.145 1.00 1.00 C ATOM 982 CG LEU A 61 2.578 12.632 -5.969 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.947 13.944 -5.277 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.802 11.863 -6.473 1.00 1.00 C ATOM 0 H LEU A 61 2.456 9.715 -3.137 1.00 1.00 H new ATOM 0 HA LEU A 61 1.987 12.552 -3.176 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.591 10.787 -5.592 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.605 12.206 -5.300 1.00 1.00 H new ATOM 0 HG LEU A 61 2.027 12.902 -6.870 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.641 14.503 -5.904 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.046 14.536 -5.116 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.417 13.729 -4.317 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.443 12.534 -7.045 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.358 11.466 -5.623 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.478 11.040 -7.111 1.00 1.00 H new ATOM 996 N GLU A 62 -0.639 11.636 -3.122 1.00 1.00 N ATOM 997 CA GLU A 62 -1.952 11.095 -2.810 1.00 1.00 C ATOM 998 C GLU A 62 -2.326 10.052 -3.870 1.00 1.00 C ATOM 999 O GLU A 62 -2.608 8.898 -3.551 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.995 12.226 -2.797 1.00 1.00 C ATOM 1001 CG GLU A 62 -3.040 13.051 -1.504 1.00 1.00 C ATOM 1002 CD GLU A 62 -1.959 14.128 -1.329 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -0.970 14.168 -2.091 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.115 14.949 -0.390 1.00 1.00 O ATOM 0 H GLU A 62 -0.651 12.637 -3.320 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.931 10.627 -1.826 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.792 12.897 -3.632 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.981 11.793 -2.969 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -4.015 13.536 -1.445 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.974 12.364 -0.661 1.00 1.00 H new ATOM 1011 N THR A 63 -2.307 10.460 -5.141 1.00 1.00 N ATOM 1012 CA THR A 63 -2.736 9.636 -6.263 1.00 1.00 C ATOM 1013 C THR A 63 -1.763 8.462 -6.455 1.00 1.00 C ATOM 1014 O THR A 63 -2.215 7.316 -6.509 1.00 1.00 O ATOM 1015 CB THR A 63 -2.888 10.524 -7.510 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.451 11.781 -7.152 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.782 9.880 -8.571 1.00 1.00 C ATOM 0 H THR A 63 -1.987 11.388 -5.419 1.00 1.00 H new ATOM 0 HA THR A 63 -3.711 9.190 -6.069 1.00 1.00 H new ATOM 0 HB THR A 63 -1.890 10.654 -7.927 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.542 12.339 -7.953 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.860 10.543 -9.432 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.350 8.929 -8.883 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.775 9.708 -8.155 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.443 8.717 -6.491 1.00 1.00 N ATOM 1026 CA TYR A 64 0.545 7.635 -6.559 1.00 1.00 C ATOM 1027 C TYR A 64 0.398 6.742 -5.329 1.00 1.00 C ATOM 1028 O TYR A 64 0.671 5.556 -5.417 1.00 1.00 O ATOM 1029 CB TYR A 64 1.998 8.145 -6.675 1.00 1.00 C ATOM 1030 CG TYR A 64 3.028 7.080 -7.054 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.582 6.226 -6.079 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.455 6.945 -8.390 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.526 5.242 -6.427 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.406 5.967 -8.745 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.947 5.104 -7.767 1.00 1.00 C ATOM 1036 OH TYR A 64 5.876 4.169 -8.114 1.00 1.00 O ATOM 0 H TYR A 64 -0.042 9.655 -6.474 1.00 1.00 H new ATOM 0 HA TYR A 64 0.345 7.069 -7.469 1.00 1.00 H new ATOM 0 HB2 TYR A 64 2.030 8.941 -7.419 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.289 8.588 -5.722 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.277 6.328 -5.048 1.00 1.00 H new ATOM 0 HD2 TYR A 64 3.050 7.597 -9.149 1.00 1.00 H new ATOM 0 HE1 TYR A 64 4.930 4.590 -5.666 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.723 5.877 -9.773 1.00 1.00 H new ATOM 0 HH TYR A 64 6.708 4.616 -8.377 1.00 1.00 H new ATOM 1046 N GLY A 65 -0.072 7.274 -4.200 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.276 6.529 -2.981 1.00 1.00 C ATOM 1048 C GLY A 65 -1.302 5.415 -3.171 1.00 1.00 C ATOM 1049 O GLY A 65 -1.041 4.252 -2.850 1.00 1.00 O ATOM 0 H GLY A 65 -0.324 8.259 -4.118 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.671 6.101 -2.652 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.611 7.203 -2.193 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.484 5.751 -3.690 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.519 4.752 -3.929 1.00 1.00 C ATOM 1055 C ALA A 66 -3.105 3.786 -5.031 1.00 1.00 C ATOM 1056 O ALA A 66 -3.348 2.586 -4.914 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.840 5.426 -4.272 1.00 1.00 C ATOM 0 H ALA A 66 -2.745 6.702 -3.951 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.652 4.176 -3.013 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.601 4.666 -4.447 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -5.148 6.064 -3.444 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.717 6.031 -5.170 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.461 4.306 -6.073 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.936 3.539 -7.193 1.00 1.00 C ATOM 1065 C GLU A 67 -0.910 2.512 -6.677 1.00 1.00 C ATOM 1066 O GLU A 67 -1.028 1.332 -7.000 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.374 4.542 -8.207 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.933 3.953 -9.546 1.00 1.00 C ATOM 1069 CD GLU A 67 -2.034 3.532 -10.529 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -3.244 3.550 -10.211 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -1.663 3.169 -11.676 1.00 1.00 O ATOM 0 H GLU A 67 -2.286 5.307 -6.161 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.703 2.952 -7.698 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -2.132 5.302 -8.397 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.521 5.048 -7.755 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.299 4.686 -10.044 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -0.312 3.081 -9.342 1.00 1.00 H new ATOM 1078 N LEU A 68 0.052 2.931 -5.839 1.00 1.00 N ATOM 1079 CA LEU A 68 1.039 2.086 -5.159 1.00 1.00 C ATOM 1080 C LEU A 68 0.279 0.994 -4.443 1.00 1.00 C ATOM 1081 O LEU A 68 0.540 -0.183 -4.674 1.00 1.00 O ATOM 1082 CB LEU A 68 1.940 2.881 -4.178 1.00 1.00 C ATOM 1083 CG LEU A 68 2.844 1.951 -3.330 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.134 2.613 -2.828 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.073 1.403 -2.122 1.00 1.00 C ATOM 0 H LEU A 68 0.166 3.918 -5.608 1.00 1.00 H new ATOM 0 HA LEU A 68 1.722 1.666 -5.897 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.563 3.576 -4.741 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.314 3.479 -3.516 1.00 1.00 H new ATOM 0 HG LEU A 68 3.136 1.147 -4.006 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.708 1.894 -2.244 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.728 2.945 -3.680 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.884 3.471 -2.204 1.00 1.00 H new ATOM 0 HD21 LEU A 68 2.725 0.752 -1.539 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.736 2.232 -1.499 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.209 0.835 -2.469 1.00 1.00 H new ATOM 1097 N THR A 69 -0.645 1.391 -3.574 1.00 1.00 N ATOM 1098 CA THR A 69 -1.377 0.479 -2.724 1.00 1.00 C ATOM 1099 C THR A 69 -2.051 -0.586 -3.595 1.00 1.00 C ATOM 1100 O THR A 69 -1.779 -1.772 -3.420 1.00 1.00 O ATOM 1101 CB THR A 69 -2.298 1.297 -1.805 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.557 2.291 -1.125 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.977 0.429 -0.745 1.00 1.00 C ATOM 0 H THR A 69 -0.904 2.369 -3.444 1.00 1.00 H new ATOM 0 HA THR A 69 -0.734 -0.086 -2.050 1.00 1.00 H new ATOM 0 HB THR A 69 -3.057 1.741 -2.449 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.570 3.122 -1.645 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.617 1.052 -0.120 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.580 -0.336 -1.233 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.218 -0.048 -0.125 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.841 -0.192 -4.593 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.513 -1.109 -5.502 1.00 1.00 C ATOM 1113 C ALA A 70 -2.509 -1.974 -6.277 1.00 1.00 C ATOM 1114 O ALA A 70 -2.857 -3.089 -6.665 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.347 -0.276 -6.488 1.00 1.00 C ATOM 0 H ALA A 70 -3.033 0.790 -4.793 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.147 -1.782 -4.925 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.862 -0.941 -7.182 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.081 0.312 -5.937 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.691 0.392 -7.046 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.290 -1.496 -6.538 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.291 -2.256 -7.284 1.00 1.00 C ATOM 1123 C ASN A 71 0.251 -3.383 -6.428 1.00 1.00 C ATOM 1124 O ASN A 71 0.310 -4.522 -6.866 1.00 1.00 O ATOM 1125 CB ASN A 71 0.901 -1.389 -7.707 1.00 1.00 C ATOM 1126 CG ASN A 71 1.588 -2.067 -8.883 1.00 1.00 C ATOM 1127 OD1 ASN A 71 0.947 -2.256 -9.912 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.854 -2.427 -8.822 1.00 1.00 N ATOM 0 H ASN A 71 -0.971 -0.575 -6.238 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.792 -2.637 -8.174 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.565 -0.391 -7.987 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.598 -1.269 -6.877 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.300 -2.862 -9.630 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.388 -2.270 -7.967 1.00 1.00 H new ATOM 1135 N VAL A 72 0.650 -3.054 -5.201 1.00 1.00 N ATOM 1136 CA VAL A 72 1.117 -4.018 -4.203 1.00 1.00 C ATOM 1137 C VAL A 72 0.025 -5.079 -3.973 1.00 1.00 C ATOM 1138 O VAL A 72 0.301 -6.279 -3.985 1.00 1.00 O ATOM 1139 CB VAL A 72 1.472 -3.285 -2.892 1.00 1.00 C ATOM 1140 CG1 VAL A 72 1.991 -4.256 -1.826 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.548 -2.195 -3.026 1.00 1.00 C ATOM 0 H VAL A 72 0.658 -2.091 -4.865 1.00 1.00 H new ATOM 0 HA VAL A 72 2.017 -4.519 -4.560 1.00 1.00 H new ATOM 0 HB VAL A 72 0.528 -2.818 -2.611 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.231 -3.704 -0.917 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.225 -5.000 -1.608 1.00 1.00 H new ATOM 0 HG13 VAL A 72 2.887 -4.756 -2.194 1.00 1.00 H new ATOM 0 HG21 VAL A 72 2.727 -1.739 -2.052 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.473 -2.640 -3.394 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.208 -1.432 -3.727 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.221 -4.636 -3.785 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.388 -5.496 -3.611 1.00 1.00 C ATOM 1153 C LEU A 73 -2.499 -6.439 -4.815 1.00 1.00 C ATOM 1154 O LEU A 73 -2.555 -7.656 -4.646 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.628 -4.606 -3.395 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.626 -3.863 -2.038 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.699 -2.779 -2.053 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.766 -4.680 -0.756 1.00 1.00 C ATOM 0 H LEU A 73 -1.449 -3.642 -3.749 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.299 -6.132 -2.730 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.685 -3.874 -4.201 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.524 -5.223 -3.461 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.610 -3.474 -1.978 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.699 -2.254 -1.098 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.490 -2.072 -2.856 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.675 -3.236 -2.216 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.746 -4.012 0.105 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.711 -5.223 -0.772 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.941 -5.389 -0.684 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.452 -5.909 -6.037 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.437 -6.726 -7.253 1.00 1.00 C ATOM 1172 C ARG A 74 -1.221 -7.665 -7.312 1.00 1.00 C ATOM 1173 O ARG A 74 -1.362 -8.783 -7.805 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.530 -5.819 -8.493 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.563 -6.627 -9.803 1.00 1.00 C ATOM 1176 CD ARG A 74 -3.610 -6.118 -10.790 1.00 1.00 C ATOM 1177 NE ARG A 74 -3.229 -4.872 -11.467 1.00 1.00 N ATOM 1178 CZ ARG A 74 -4.069 -4.134 -12.202 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -5.343 -4.489 -12.326 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -3.646 -3.044 -12.828 1.00 1.00 N ATOM 0 H ARG A 74 -2.423 -4.905 -6.213 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.311 -7.377 -7.236 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.427 -5.204 -8.425 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.678 -5.139 -8.509 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -1.580 -6.589 -10.272 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -2.766 -7.673 -9.573 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -3.793 -6.887 -11.540 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -4.549 -5.960 -10.260 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.266 -4.550 -11.371 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -5.686 -5.329 -11.859 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -5.978 -3.922 -12.888 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -2.670 -2.759 -12.752 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -4.297 -2.491 -13.385 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.047 -7.288 -6.799 1.00 1.00 N ATOM 1195 CA ASP A 75 1.137 -8.150 -6.749 1.00 1.00 C ATOM 1196 C ASP A 75 0.877 -9.335 -5.805 1.00 1.00 C ATOM 1197 O ASP A 75 1.408 -10.433 -6.003 1.00 1.00 O ATOM 1198 CB ASP A 75 2.359 -7.316 -6.355 1.00 1.00 C ATOM 1199 CG ASP A 75 3.678 -8.010 -6.704 1.00 1.00 C ATOM 1200 OD1 ASP A 75 4.152 -8.899 -5.962 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.257 -7.667 -7.758 1.00 1.00 O ATOM 0 H ASP A 75 0.110 -6.362 -6.401 1.00 1.00 H new ATOM 0 HA ASP A 75 1.347 -8.575 -7.731 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.315 -6.351 -6.860 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.329 -7.117 -5.284 1.00 1.00 H new ATOM 1206 N MET A 76 0.049 -9.136 -4.768 1.00 1.00 N ATOM 1207 CA MET A 76 -0.374 -10.223 -3.879 1.00 1.00 C ATOM 1208 C MET A 76 -1.396 -11.114 -4.604 1.00 1.00 C ATOM 1209 O MET A 76 -1.517 -12.299 -4.296 1.00 1.00 O ATOM 1210 CB MET A 76 -1.015 -9.702 -2.577 1.00 1.00 C ATOM 1211 CG MET A 76 -0.053 -8.907 -1.694 1.00 1.00 C ATOM 1212 SD MET A 76 -0.811 -8.033 -0.296 1.00 1.00 S ATOM 1213 CE MET A 76 -1.542 -9.417 0.624 1.00 1.00 C ATOM 0 H MET A 76 -0.342 -8.225 -4.526 1.00 1.00 H new ATOM 0 HA MET A 76 0.521 -10.787 -3.615 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.868 -9.072 -2.829 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.401 -10.548 -2.009 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.703 -9.589 -1.306 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.465 -8.178 -2.317 1.00 1.00 H new ATOM 0 HE1 MET A 76 -1.578 -9.170 1.685 1.00 1.00 H new ATOM 0 HE2 MET A 76 -2.552 -9.603 0.260 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.935 -10.311 0.480 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.096 -10.563 -5.591 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.186 -11.172 -6.350 1.00 1.00 C ATOM 1225 C GLY A 77 -4.555 -10.642 -5.907 1.00 1.00 C ATOM 1226 O GLY A 77 -5.593 -11.093 -6.395 1.00 1.00 O ATOM 0 H GLY A 77 -1.904 -9.612 -5.904 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.045 -10.972 -7.412 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.157 -12.254 -6.223 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.577 -9.678 -4.990 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.758 -9.111 -4.364 1.00 1.00 C ATOM 1232 C LEU A 78 -6.370 -8.047 -5.296 1.00 1.00 C ATOM 1233 O LEU A 78 -6.201 -6.841 -5.092 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.295 -8.561 -3.005 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.382 -8.305 -1.947 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -5.929 -7.117 -1.114 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.778 -8.006 -2.488 1.00 1.00 C ATOM 0 H LEU A 78 -3.717 -9.250 -4.647 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.552 -9.839 -4.196 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.572 -9.260 -2.585 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.767 -7.624 -3.181 1.00 1.00 H new ATOM 0 HG LEU A 78 -6.485 -9.232 -1.382 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.676 -6.903 -0.349 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -4.977 -7.349 -0.636 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.809 -6.246 -1.758 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.463 -7.842 -1.656 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.743 -7.112 -3.111 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.126 -8.850 -3.084 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.084 -8.494 -6.335 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.632 -7.611 -7.368 1.00 1.00 C ATOM 1251 C GLN A 79 -8.784 -6.722 -6.886 1.00 1.00 C ATOM 1252 O GLN A 79 -8.904 -5.588 -7.350 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.057 -8.421 -8.614 1.00 1.00 C ATOM 1254 CG GLN A 79 -9.215 -9.417 -8.432 1.00 1.00 C ATOM 1255 CD GLN A 79 -10.549 -8.885 -8.961 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -11.234 -8.101 -8.312 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.988 -9.315 -10.132 1.00 1.00 N ATOM 0 H GLN A 79 -7.298 -9.480 -6.483 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.822 -6.932 -7.633 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.335 -7.717 -9.398 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.188 -8.972 -8.973 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.971 -10.347 -8.946 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.319 -9.655 -7.374 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -10.426 -9.967 -10.679 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.889 -8.995 -10.488 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.614 -7.219 -5.967 1.00 1.00 N ATOM 1267 CA GLU A 80 -10.821 -6.540 -5.496 1.00 1.00 C ATOM 1268 C GLU A 80 -10.493 -5.233 -4.779 1.00 1.00 C ATOM 1269 O GLU A 80 -10.889 -4.169 -5.251 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.707 -7.507 -4.688 1.00 1.00 C ATOM 1271 CG GLU A 80 -10.964 -8.281 -3.591 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.859 -9.306 -2.912 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.679 -8.900 -2.060 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -11.720 -10.513 -3.218 1.00 1.00 O ATOM 0 H GLU A 80 -9.462 -8.123 -5.521 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.417 -6.238 -6.357 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.518 -6.941 -4.230 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.164 -8.221 -5.374 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.100 -8.785 -4.024 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -10.585 -7.581 -2.847 1.00 1.00 H new ATOM 1281 N MET A 81 -9.729 -5.300 -3.686 1.00 1.00 N ATOM 1282 CA MET A 81 -9.235 -4.146 -2.942 1.00 1.00 C ATOM 1283 C MET A 81 -8.634 -3.157 -3.916 1.00 1.00 C ATOM 1284 O MET A 81 -9.072 -2.020 -3.940 1.00 1.00 O ATOM 1285 CB MET A 81 -8.200 -4.609 -1.919 1.00 1.00 C ATOM 1286 CG MET A 81 -7.916 -3.518 -0.897 1.00 1.00 C ATOM 1287 SD MET A 81 -9.213 -3.363 0.356 1.00 1.00 S ATOM 1288 CE MET A 81 -8.741 -4.727 1.455 1.00 1.00 C ATOM 0 H MET A 81 -9.429 -6.188 -3.284 1.00 1.00 H new ATOM 0 HA MET A 81 -10.050 -3.659 -2.407 1.00 1.00 H new ATOM 0 HB2 MET A 81 -8.561 -5.503 -1.411 1.00 1.00 H new ATOM 0 HB3 MET A 81 -7.277 -4.883 -2.429 1.00 1.00 H new ATOM 0 HG2 MET A 81 -6.967 -3.728 -0.404 1.00 1.00 H new ATOM 0 HG3 MET A 81 -7.803 -2.565 -1.414 1.00 1.00 H new ATOM 0 HE1 MET A 81 -9.595 -5.388 1.601 1.00 1.00 H new ATOM 0 HE2 MET A 81 -7.920 -5.288 1.007 1.00 1.00 H new ATOM 0 HE3 MET A 81 -8.424 -4.326 2.418 1.00 1.00 H new ATOM 1298 N ALA A 82 -7.694 -3.601 -4.750 1.00 1.00 N ATOM 1299 CA ALA A 82 -6.998 -2.759 -5.707 1.00 1.00 C ATOM 1300 C ALA A 82 -7.984 -1.994 -6.603 1.00 1.00 C ATOM 1301 O ALA A 82 -7.844 -0.782 -6.767 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.059 -3.652 -6.525 1.00 1.00 C ATOM 0 H ALA A 82 -7.393 -4.575 -4.775 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.417 -2.000 -5.184 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.522 -3.044 -7.254 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.345 -4.135 -5.859 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.642 -4.412 -7.045 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.003 -2.671 -7.132 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.008 -2.063 -7.990 1.00 1.00 C ATOM 1310 C GLY A 83 -10.850 -1.026 -7.250 1.00 1.00 C ATOM 1311 O GLY A 83 -11.029 0.097 -7.743 1.00 1.00 O ATOM 0 H GLY A 83 -9.151 -3.667 -6.972 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.518 -1.590 -8.841 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.660 -2.840 -8.389 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.390 -1.394 -6.087 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.248 -0.528 -5.283 1.00 1.00 C ATOM 1317 C GLN A 84 -11.468 0.700 -4.813 1.00 1.00 C ATOM 1318 O GLN A 84 -11.904 1.827 -5.002 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.833 -1.313 -4.094 1.00 1.00 C ATOM 1320 CG GLN A 84 -13.730 -2.491 -4.512 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.927 -2.052 -5.348 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.874 -2.018 -6.576 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.020 -1.668 -4.715 1.00 1.00 N ATOM 0 H GLN A 84 -11.241 -2.314 -5.673 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.080 -0.181 -5.896 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.014 -1.691 -3.481 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.411 -0.632 -3.469 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -13.139 -3.209 -5.081 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.085 -3.007 -3.620 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.057 -1.699 -3.696 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.828 -1.340 -5.245 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.278 0.484 -4.269 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.314 1.463 -3.787 1.00 1.00 C ATOM 1334 C LEU A 85 -9.003 2.520 -4.842 1.00 1.00 C ATOM 1335 O LEU A 85 -9.066 3.726 -4.578 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.066 0.641 -3.457 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.799 1.400 -3.101 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -6.947 2.035 -1.737 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.675 0.382 -3.006 1.00 1.00 C ATOM 0 H LEU A 85 -9.932 -0.467 -4.143 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.695 2.014 -2.927 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.308 -0.018 -2.623 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.847 0.004 -4.314 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.602 2.168 -3.849 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.035 2.578 -1.487 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -7.790 2.726 -1.747 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.123 1.259 -0.992 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.745 0.890 -2.751 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.912 -0.351 -2.234 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.561 -0.125 -3.964 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.640 2.056 -6.039 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.311 2.915 -7.161 1.00 1.00 C ATOM 1353 C GLN A 86 -9.540 3.753 -7.529 1.00 1.00 C ATOM 1354 O GLN A 86 -9.414 4.972 -7.688 1.00 1.00 O ATOM 1355 CB GLN A 86 -7.789 2.021 -8.300 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.166 2.755 -9.495 1.00 1.00 C ATOM 1357 CD GLN A 86 -8.152 3.565 -10.330 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -9.314 3.187 -10.492 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -7.706 4.679 -10.882 1.00 1.00 N ATOM 0 H GLN A 86 -8.568 1.061 -6.252 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.523 3.630 -6.925 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.045 1.339 -7.889 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -8.615 1.410 -8.664 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -6.387 3.423 -9.128 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -6.680 2.023 -10.140 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -6.740 4.971 -10.733 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -8.328 5.248 -11.457 1.00 1.00 H new ATOM 1368 N ALA A 87 -10.718 3.122 -7.639 1.00 1.00 N ATOM 1369 CA ALA A 87 -11.954 3.807 -8.004 1.00 1.00 C ATOM 1370 C ALA A 87 -12.395 4.805 -6.928 1.00 1.00 C ATOM 1371 O ALA A 87 -12.909 5.874 -7.256 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.060 2.784 -8.261 1.00 1.00 C ATOM 0 H ALA A 87 -10.835 2.122 -7.476 1.00 1.00 H new ATOM 0 HA ALA A 87 -11.763 4.374 -8.915 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -13.979 3.303 -8.533 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -12.762 2.123 -9.075 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.228 2.196 -7.359 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.174 4.491 -5.653 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.479 5.373 -4.543 1.00 1.00 C ATOM 1380 C ALA A 88 -11.625 6.634 -4.631 1.00 1.00 C ATOM 1381 O ALA A 88 -12.152 7.740 -4.504 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.265 4.639 -3.217 1.00 1.00 C ATOM 0 H ALA A 88 -11.771 3.600 -5.364 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.526 5.673 -4.593 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.496 5.309 -2.389 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.919 3.768 -3.173 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.227 4.316 -3.143 1.00 1.00 H new ATOM 1388 N THR A 89 -10.324 6.471 -4.888 1.00 1.00 N ATOM 1389 CA THR A 89 -9.384 7.581 -5.016 1.00 1.00 C ATOM 1390 C THR A 89 -9.615 8.392 -6.301 1.00 1.00 C ATOM 1391 O THR A 89 -9.115 9.511 -6.423 1.00 1.00 O ATOM 1392 CB THR A 89 -7.941 7.058 -4.889 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.852 6.233 -3.742 1.00 1.00 O ATOM 1394 CG2 THR A 89 -6.935 8.216 -4.754 1.00 1.00 C ATOM 0 H THR A 89 -9.893 5.555 -5.014 1.00 1.00 H new ATOM 0 HA THR A 89 -9.559 8.282 -4.200 1.00 1.00 H new ATOM 0 HB THR A 89 -7.697 6.496 -5.790 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.216 5.347 -3.947 1.00 1.00 H new ATOM 0 HG21 THR A 89 -5.926 7.813 -4.666 1.00 1.00 H new ATOM 0 HG22 THR A 89 -6.995 8.855 -5.635 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.171 8.801 -3.865 1.00 1.00 H new