USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 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 30 SER OG : rot 31:sc= 0.375 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 32 THR OG1 : rot -69:sc= 0.742 USER MOD Single : A 44 GLN : amide:sc= 0.251 X(o=0.25,f=-0.086) USER MOD Single : A 46 SER OG : rot 69:sc= 1.31 USER MOD Single : A 49 ASN : amide:sc= 1.12 K(o=1.1,f=-0.00038) USER MOD Single : A 58 MET CE :methyl -167:sc= -3.62 (180deg=-4.21!) USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= 1.47 (180deg=1.13) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.11) USER MOD Single : A 77 SER OG : rot -80:sc= 0.181 USER MOD Single : A 80 LYS NZ :NH3+ -161:sc= 0.707 (180deg=0.329) USER MOD Single : A 86 HIS : no HE2:sc= 0.679 K(o=0.68,f=-3.5!) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= 1.03 (180deg=0.748) USER MOD Single : A 89 SER OG : rot 41:sc= 0.0945 USER MOD Single : A 92 ASN : amide:sc= 0.6 K(o=0.6,f=0) USER MOD Single : A 93 GLN : amide:sc= 0.138 K(o=0.14,f=-2.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -18:sc= 0.655 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 6.258 10.168 5.096 1.00 0.00 N ATOM 36 CA SER A 30 6.001 10.227 3.642 1.00 0.00 C ATOM 37 C SER A 30 4.556 10.595 3.255 1.00 0.00 C ATOM 38 O SER A 30 4.297 10.926 2.098 1.00 0.00 O ATOM 39 CB SER A 30 6.343 8.861 3.036 1.00 0.00 C ATOM 40 OG SER A 30 7.600 8.416 3.516 1.00 0.00 O ATOM 0 HA SER A 30 6.628 11.029 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.570 8.137 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.365 8.932 1.949 1.00 0.00 H new ATOM 0 HG SER A 30 7.744 8.760 4.422 1.00 0.00 H new ATOM 46 N ASN A 31 3.618 10.529 4.205 1.00 0.00 N ATOM 47 CA ASN A 31 2.180 10.859 4.139 1.00 0.00 C ATOM 48 C ASN A 31 1.353 10.255 2.976 1.00 0.00 C ATOM 49 O ASN A 31 0.214 10.675 2.764 1.00 0.00 O ATOM 50 CB ASN A 31 1.981 12.381 4.242 1.00 0.00 C ATOM 51 CG ASN A 31 2.778 13.033 5.363 1.00 0.00 C ATOM 52 OD1 ASN A 31 2.880 12.526 6.470 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.374 14.174 5.107 1.00 0.00 N ATOM 0 H ASN A 31 3.868 10.210 5.141 1.00 0.00 H new ATOM 0 HA ASN A 31 1.759 10.349 5.005 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.264 12.839 3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.922 12.590 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.922 14.637 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.289 14.598 4.183 1.00 0.00 H new ATOM 60 N THR A 32 1.881 9.283 2.213 1.00 0.00 N ATOM 61 CA THR A 32 1.299 8.861 0.924 1.00 0.00 C ATOM 62 C THR A 32 1.521 7.384 0.527 1.00 0.00 C ATOM 63 O THR A 32 1.515 7.090 -0.661 1.00 0.00 O ATOM 64 CB THR A 32 1.867 9.755 -0.201 1.00 0.00 C ATOM 65 OG1 THR A 32 3.274 9.629 -0.282 1.00 0.00 O ATOM 66 CG2 THR A 32 1.549 11.244 -0.096 1.00 0.00 C ATOM 0 H THR A 32 2.722 8.767 2.471 1.00 0.00 H new ATOM 0 HA THR A 32 0.223 8.969 1.057 1.00 0.00 H new ATOM 0 HB THR A 32 1.362 9.384 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.685 10.038 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.998 11.772 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.469 11.387 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.953 11.638 0.837 1.00 0.00 H new ATOM 74 N ARG A 33 1.731 6.424 1.450 1.00 0.00 N ATOM 75 CA ARG A 33 2.225 5.075 1.065 1.00 0.00 C ATOM 76 C ARG A 33 1.598 3.870 1.758 1.00 0.00 C ATOM 77 O ARG A 33 1.624 3.694 2.973 1.00 0.00 O ATOM 78 CB ARG A 33 3.727 4.973 1.299 1.00 0.00 C ATOM 79 CG ARG A 33 4.619 5.648 0.283 1.00 0.00 C ATOM 80 CD ARG A 33 6.074 5.728 0.751 1.00 0.00 C ATOM 81 NE ARG A 33 6.996 5.706 -0.389 1.00 0.00 N ATOM 82 CZ ARG A 33 8.154 5.083 -0.470 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.738 4.560 0.558 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.726 4.982 -1.632 1.00 0.00 N ATOM 0 H ARG A 33 1.572 6.547 2.450 1.00 0.00 H new ATOM 0 HA ARG A 33 1.932 5.015 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.948 5.395 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.994 3.917 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.572 5.101 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.247 6.654 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.224 6.641 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.292 4.892 1.416 1.00 0.00 H new ATOM 0 HE ARG A 33 6.708 6.233 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.302 4.621 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.635 4.087 0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.278 5.381 -2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.623 4.504 -1.719 1.00 0.00 H new ATOM 98 N LEU A 34 1.146 2.934 0.947 1.00 0.00 N ATOM 99 CA LEU A 34 0.356 1.816 1.403 1.00 0.00 C ATOM 100 C LEU A 34 1.225 0.576 1.526 1.00 0.00 C ATOM 101 O LEU A 34 1.622 -0.020 0.527 1.00 0.00 O ATOM 102 CB LEU A 34 -0.891 1.625 0.546 1.00 0.00 C ATOM 103 CG LEU A 34 -1.652 2.888 0.077 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.713 4.054 1.081 1.00 0.00 C ATOM 105 CD2 LEU A 34 -1.124 3.359 -1.272 1.00 0.00 C ATOM 0 H LEU A 34 1.321 2.932 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.023 2.025 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.603 1.060 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.589 1.004 1.107 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.689 2.563 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.270 4.882 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.211 3.723 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.701 4.383 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.671 4.248 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.064 3.597 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.259 2.570 -2.011 1.00 0.00 H new ATOM 117 N PHE A 35 1.548 0.244 2.773 1.00 0.00 N ATOM 118 CA PHE A 35 2.489 -0.804 3.127 1.00 0.00 C ATOM 119 C PHE A 35 1.738 -2.085 3.478 1.00 0.00 C ATOM 120 O PHE A 35 1.088 -2.239 4.511 1.00 0.00 O ATOM 121 CB PHE A 35 3.438 -0.261 4.191 1.00 0.00 C ATOM 122 CG PHE A 35 4.240 -1.292 4.964 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.005 -2.253 4.271 1.00 0.00 C ATOM 124 CD2 PHE A 35 4.240 -1.284 6.365 1.00 0.00 C ATOM 125 CE1 PHE A 35 5.757 -3.205 4.984 1.00 0.00 C ATOM 126 CE2 PHE A 35 4.995 -2.234 7.078 1.00 0.00 C ATOM 127 CZ PHE A 35 5.753 -3.196 6.386 1.00 0.00 C ATOM 0 H PHE A 35 1.148 0.713 3.586 1.00 0.00 H new ATOM 0 HA PHE A 35 3.123 -1.095 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.135 0.425 3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.856 0.324 4.903 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.014 -2.258 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.659 -0.547 6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.338 -3.943 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.992 -2.224 8.158 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.331 -3.926 6.934 1.00 0.00 H new ATOM 137 N VAL A 36 1.746 -3.013 2.540 1.00 0.00 N ATOM 138 CA VAL A 36 0.877 -4.182 2.587 1.00 0.00 C ATOM 139 C VAL A 36 1.669 -5.410 2.161 1.00 0.00 C ATOM 140 O VAL A 36 2.378 -5.428 1.163 1.00 0.00 O ATOM 141 CB VAL A 36 -0.408 -3.924 1.789 1.00 0.00 C ATOM 142 CG1 VAL A 36 -1.243 -2.817 2.439 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.161 -3.401 0.394 1.00 0.00 C ATOM 0 H VAL A 36 2.354 -2.981 1.722 1.00 0.00 H new ATOM 0 HA VAL A 36 0.536 -4.382 3.603 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.900 -4.896 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.148 -2.653 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.514 -3.113 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.662 -1.896 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.115 -3.242 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.381 -2.457 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.429 -4.126 -0.167 1.00 0.00 H new ATOM 153 N ARG A 37 1.606 -6.425 3.020 1.00 0.00 N ATOM 154 CA ARG A 37 2.475 -7.612 2.987 1.00 0.00 C ATOM 155 C ARG A 37 1.871 -8.948 3.471 1.00 0.00 C ATOM 156 O ARG A 37 2.646 -9.833 3.843 1.00 0.00 O ATOM 157 CB ARG A 37 3.795 -7.235 3.703 1.00 0.00 C ATOM 158 CG ARG A 37 3.687 -6.514 5.063 1.00 0.00 C ATOM 159 CD ARG A 37 3.329 -7.406 6.260 1.00 0.00 C ATOM 160 NE ARG A 37 2.123 -6.945 6.983 1.00 0.00 N ATOM 161 CZ ARG A 37 1.972 -5.843 7.697 1.00 0.00 C ATOM 162 NH1 ARG A 37 2.927 -4.977 7.876 1.00 0.00 N ATOM 163 NH2 ARG A 37 0.837 -5.571 8.275 1.00 0.00 N ATOM 0 H ARG A 37 0.930 -6.450 3.784 1.00 0.00 H new ATOM 0 HA ARG A 37 2.645 -7.855 1.938 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.370 -8.149 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.373 -6.601 3.031 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.638 -6.023 5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.935 -5.730 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.169 -8.426 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.172 -7.434 6.951 1.00 0.00 H new ATOM 0 HE ARG A 37 1.307 -7.553 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.843 -5.134 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.759 -4.141 8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.050 -6.212 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.736 -4.717 8.823 1.00 0.00 H new ATOM 177 N PRO A 38 0.536 -9.166 3.490 1.00 0.00 N ATOM 178 CA PRO A 38 0.002 -10.462 3.915 1.00 0.00 C ATOM 179 C PRO A 38 0.281 -11.596 2.913 1.00 0.00 C ATOM 180 O PRO A 38 0.486 -12.748 3.301 1.00 0.00 O ATOM 181 CB PRO A 38 -1.515 -10.266 3.999 1.00 0.00 C ATOM 182 CG PRO A 38 -1.795 -9.175 2.991 1.00 0.00 C ATOM 183 CD PRO A 38 -0.565 -8.275 3.134 1.00 0.00 C ATOM 0 HA PRO A 38 0.473 -10.754 4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.051 -11.183 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.825 -9.973 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.894 -9.571 1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.718 -8.641 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.356 -7.746 2.204 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.721 -7.518 3.903 1.00 0.00 H new ATOM 191 N PHE A 39 0.224 -11.257 1.632 1.00 0.00 N ATOM 192 CA PHE A 39 0.206 -12.166 0.486 1.00 0.00 C ATOM 193 C PHE A 39 1.563 -12.839 0.189 1.00 0.00 C ATOM 194 O PHE A 39 2.616 -12.286 0.524 1.00 0.00 O ATOM 195 CB PHE A 39 -0.282 -11.410 -0.767 1.00 0.00 C ATOM 196 CG PHE A 39 -0.618 -9.932 -0.613 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.423 -8.994 -0.474 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.955 -9.488 -0.615 1.00 0.00 C ATOM 199 CE1 PHE A 39 0.133 -7.622 -0.386 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.245 -8.118 -0.488 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.201 -7.182 -0.396 1.00 0.00 C ATOM 0 H PHE A 39 0.187 -10.279 1.344 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.480 -12.971 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.486 -11.502 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.170 -11.919 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.448 -9.331 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.759 -10.202 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.937 -6.905 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.272 -7.785 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.424 -6.127 -0.333 1.00 0.00 H new ATOM 211 N PRO A 40 1.556 -14.006 -0.476 1.00 0.00 N ATOM 212 CA PRO A 40 2.753 -14.606 -1.062 1.00 0.00 C ATOM 213 C PRO A 40 3.158 -13.858 -2.356 1.00 0.00 C ATOM 214 O PRO A 40 2.556 -12.845 -2.718 1.00 0.00 O ATOM 215 CB PRO A 40 2.357 -16.067 -1.317 1.00 0.00 C ATOM 216 CG PRO A 40 0.862 -15.978 -1.617 1.00 0.00 C ATOM 217 CD PRO A 40 0.390 -14.849 -0.711 1.00 0.00 C ATOM 0 HA PRO A 40 3.629 -14.543 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.911 -16.494 -2.153 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.557 -16.695 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.675 -15.756 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.350 -16.914 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.413 -14.281 -1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.004 -15.240 0.227 1.00 0.00 H new ATOM 225 N LEU A 41 4.160 -14.371 -3.079 1.00 0.00 N ATOM 226 CA LEU A 41 4.671 -13.826 -4.356 1.00 0.00 C ATOM 227 C LEU A 41 3.586 -13.623 -5.439 1.00 0.00 C ATOM 228 O LEU A 41 3.804 -12.903 -6.416 1.00 0.00 O ATOM 229 CB LEU A 41 5.773 -14.757 -4.905 1.00 0.00 C ATOM 230 CG LEU A 41 7.137 -14.736 -4.189 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.114 -15.295 -2.766 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.140 -15.571 -4.990 1.00 0.00 C ATOM 0 H LEU A 41 4.661 -15.209 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 41 5.064 -12.835 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.395 -15.779 -4.880 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.938 -14.504 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 41 7.416 -13.684 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.115 -15.242 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.427 -14.709 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.784 -16.334 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.107 -15.559 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.782 -16.598 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.246 -15.151 -5.990 1.00 0.00 H new ATOM 244 N ASP A 42 2.427 -14.268 -5.288 1.00 0.00 N ATOM 245 CA ASP A 42 1.276 -14.220 -6.185 1.00 0.00 C ATOM 246 C ASP A 42 0.623 -12.829 -6.341 1.00 0.00 C ATOM 247 O ASP A 42 -0.010 -12.593 -7.373 1.00 0.00 O ATOM 248 CB ASP A 42 0.227 -15.238 -5.715 1.00 0.00 C ATOM 249 CG ASP A 42 0.752 -16.685 -5.744 1.00 0.00 C ATOM 250 OD1 ASP A 42 1.547 -17.065 -4.845 1.00 0.00 O ATOM 251 OD2 ASP A 42 0.362 -17.453 -6.655 1.00 0.00 O ATOM 0 H ASP A 42 2.259 -14.875 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 42 1.660 -14.467 -7.175 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.086 -14.989 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.656 -15.163 -6.349 1.00 0.00 H new ATOM 256 N VAL A 43 0.775 -11.895 -5.391 1.00 0.00 N ATOM 257 CA VAL A 43 0.270 -10.507 -5.540 1.00 0.00 C ATOM 258 C VAL A 43 0.999 -9.746 -6.654 1.00 0.00 C ATOM 259 O VAL A 43 2.222 -9.823 -6.780 1.00 0.00 O ATOM 260 CB VAL A 43 0.324 -9.727 -4.208 1.00 0.00 C ATOM 261 CG1 VAL A 43 1.746 -9.488 -3.677 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.400 -8.375 -4.307 1.00 0.00 C ATOM 0 H VAL A 43 1.246 -12.070 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.777 -10.589 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.189 -10.375 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.696 -8.934 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.237 -10.446 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.315 -8.913 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.339 -7.858 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.071 -7.766 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.446 -8.541 -4.563 1.00 0.00 H new ATOM 272 N GLN A 44 0.257 -8.971 -7.450 1.00 0.00 N ATOM 273 CA GLN A 44 0.781 -8.159 -8.557 1.00 0.00 C ATOM 274 C GLN A 44 0.028 -6.822 -8.621 1.00 0.00 C ATOM 275 O GLN A 44 -0.961 -6.609 -7.915 1.00 0.00 O ATOM 276 CB GLN A 44 0.663 -8.867 -9.936 1.00 0.00 C ATOM 277 CG GLN A 44 0.899 -10.383 -10.018 1.00 0.00 C ATOM 278 CD GLN A 44 2.295 -10.852 -9.610 1.00 0.00 C ATOM 279 OE1 GLN A 44 3.318 -10.249 -9.914 1.00 0.00 O ATOM 280 NE2 GLN A 44 2.375 -11.972 -8.926 1.00 0.00 N ATOM 0 H GLN A 44 -0.754 -8.887 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 44 1.841 -8.001 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.336 -8.668 -10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.369 -8.387 -10.614 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.167 -10.882 -9.384 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.709 -10.708 -11.041 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.525 -12.476 -8.672 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.287 -12.337 -8.650 1.00 0.00 H new ATOM 289 N GLU A 45 0.456 -5.908 -9.500 1.00 0.00 N ATOM 290 CA GLU A 45 -0.201 -4.609 -9.661 1.00 0.00 C ATOM 291 C GLU A 45 -1.679 -4.709 -10.075 1.00 0.00 C ATOM 292 O GLU A 45 -2.420 -3.774 -9.807 1.00 0.00 O ATOM 293 CB GLU A 45 0.614 -3.677 -10.576 1.00 0.00 C ATOM 294 CG GLU A 45 0.478 -3.943 -12.074 1.00 0.00 C ATOM 295 CD GLU A 45 1.066 -5.289 -12.554 1.00 0.00 C ATOM 296 OE1 GLU A 45 2.020 -5.814 -11.930 1.00 0.00 O ATOM 297 OE2 GLU A 45 0.580 -5.822 -13.583 1.00 0.00 O ATOM 0 H GLU A 45 1.259 -6.047 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.223 -4.154 -8.671 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.313 -2.648 -10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.666 -3.759 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.579 -3.910 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.968 -3.135 -12.617 1.00 0.00 H new ATOM 304 N SER A 46 -2.142 -5.825 -10.647 1.00 0.00 N ATOM 305 CA SER A 46 -3.565 -6.123 -10.895 1.00 0.00 C ATOM 306 C SER A 46 -4.391 -6.352 -9.610 1.00 0.00 C ATOM 307 O SER A 46 -5.553 -5.944 -9.515 1.00 0.00 O ATOM 308 CB SER A 46 -3.697 -7.353 -11.810 1.00 0.00 C ATOM 309 OG SER A 46 -2.647 -8.297 -11.642 1.00 0.00 O ATOM 0 H SER A 46 -1.522 -6.571 -10.961 1.00 0.00 H new ATOM 0 HA SER A 46 -3.975 -5.236 -11.377 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.651 -7.843 -11.613 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.717 -7.023 -12.849 1.00 0.00 H new ATOM 0 HG SER A 46 -2.727 -8.722 -10.763 1.00 0.00 H new ATOM 315 N GLU A 47 -3.796 -6.957 -8.588 1.00 0.00 N ATOM 316 CA GLU A 47 -4.434 -7.302 -7.328 1.00 0.00 C ATOM 317 C GLU A 47 -4.434 -6.055 -6.447 1.00 0.00 C ATOM 318 O GLU A 47 -5.430 -5.691 -5.817 1.00 0.00 O ATOM 319 CB GLU A 47 -3.586 -8.415 -6.690 1.00 0.00 C ATOM 320 CG GLU A 47 -3.921 -9.818 -7.212 1.00 0.00 C ATOM 321 CD GLU A 47 -3.728 -9.996 -8.725 1.00 0.00 C ATOM 322 OE1 GLU A 47 -2.656 -9.622 -9.260 1.00 0.00 O ATOM 323 OE2 GLU A 47 -4.646 -10.525 -9.404 1.00 0.00 O ATOM 0 H GLU A 47 -2.814 -7.231 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.461 -7.644 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.532 -8.209 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.729 -8.395 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.298 -10.545 -6.691 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.956 -10.048 -6.961 1.00 0.00 H new ATOM 330 N LEU A 48 -3.327 -5.317 -6.505 1.00 0.00 N ATOM 331 CA LEU A 48 -3.232 -4.002 -5.922 1.00 0.00 C ATOM 332 C LEU A 48 -4.150 -3.017 -6.669 1.00 0.00 C ATOM 333 O LEU A 48 -4.699 -2.117 -6.060 1.00 0.00 O ATOM 334 CB LEU A 48 -1.761 -3.611 -5.939 1.00 0.00 C ATOM 335 CG LEU A 48 -0.809 -4.605 -5.247 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.576 -4.547 -5.840 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.567 -4.234 -3.809 1.00 0.00 C ATOM 0 H LEU A 48 -2.470 -5.627 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.581 -3.984 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.445 -3.492 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.655 -2.638 -5.460 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.291 -5.576 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.221 -5.261 -5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.529 -4.796 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.981 -3.542 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.109 -4.959 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.121 -3.241 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.514 -4.234 -3.269 1.00 0.00 H new ATOM 349 N ASN A 49 -4.405 -3.205 -7.972 1.00 0.00 N ATOM 350 CA ASN A 49 -5.457 -2.464 -8.703 1.00 0.00 C ATOM 351 C ASN A 49 -6.852 -2.740 -8.125 1.00 0.00 C ATOM 352 O ASN A 49 -7.610 -1.797 -7.901 1.00 0.00 O ATOM 353 CB ASN A 49 -5.430 -2.730 -10.218 1.00 0.00 C ATOM 354 CG ASN A 49 -4.807 -1.592 -11.007 1.00 0.00 C ATOM 355 OD1 ASN A 49 -5.487 -0.743 -11.561 1.00 0.00 O ATOM 356 ND2 ASN A 49 -3.499 -1.547 -11.083 1.00 0.00 N ATOM 0 H ASN A 49 -3.893 -3.871 -8.551 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.234 -1.407 -8.561 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.873 -3.647 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.448 -2.895 -10.571 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.044 -0.800 -11.607 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.936 -2.259 -10.618 1.00 0.00 H new ATOM 363 N GLU A 50 -7.179 -3.997 -7.817 1.00 0.00 N ATOM 364 CA GLU A 50 -8.412 -4.314 -7.077 1.00 0.00 C ATOM 365 C GLU A 50 -8.478 -3.662 -5.688 1.00 0.00 C ATOM 366 O GLU A 50 -9.563 -3.281 -5.240 1.00 0.00 O ATOM 367 CB GLU A 50 -8.584 -5.833 -6.946 1.00 0.00 C ATOM 368 CG GLU A 50 -9.476 -6.398 -8.063 1.00 0.00 C ATOM 369 CD GLU A 50 -9.908 -7.849 -7.765 1.00 0.00 C ATOM 370 OE1 GLU A 50 -9.035 -8.735 -7.599 1.00 0.00 O ATOM 371 OE2 GLU A 50 -11.134 -8.119 -7.715 1.00 0.00 O ATOM 0 H GLU A 50 -6.615 -4.810 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.230 -3.894 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.607 -6.315 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.021 -6.068 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.360 -5.770 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.938 -6.365 -9.011 1.00 0.00 H new ATOM 378 N ILE A 51 -7.339 -3.518 -4.998 1.00 0.00 N ATOM 379 CA ILE A 51 -7.281 -3.014 -3.619 1.00 0.00 C ATOM 380 C ILE A 51 -7.249 -1.476 -3.554 1.00 0.00 C ATOM 381 O ILE A 51 -7.932 -0.903 -2.711 1.00 0.00 O ATOM 382 CB ILE A 51 -6.055 -3.637 -2.922 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.252 -5.159 -2.710 1.00 0.00 C ATOM 384 CG2 ILE A 51 -5.743 -2.984 -1.567 1.00 0.00 C ATOM 385 CD1 ILE A 51 -4.950 -5.916 -2.407 1.00 0.00 C ATOM 0 H ILE A 51 -6.424 -3.750 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.192 -3.309 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.211 -3.457 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.951 -5.315 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.709 -5.585 -3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.870 -3.464 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.539 -1.923 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.598 -3.101 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.168 -6.975 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.255 -5.792 -3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.501 -5.518 -1.497 1.00 0.00 H new ATOM 397 N PHE A 52 -6.498 -0.811 -4.444 1.00 0.00 N ATOM 398 CA PHE A 52 -6.185 0.630 -4.399 1.00 0.00 C ATOM 399 C PHE A 52 -6.876 1.467 -5.481 1.00 0.00 C ATOM 400 O PHE A 52 -7.086 2.670 -5.311 1.00 0.00 O ATOM 401 CB PHE A 52 -4.683 0.865 -4.465 1.00 0.00 C ATOM 402 CG PHE A 52 -3.924 0.240 -3.339 1.00 0.00 C ATOM 403 CD1 PHE A 52 -4.055 0.701 -2.020 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.104 -0.852 -3.626 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.405 0.017 -0.979 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.446 -1.508 -2.595 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.591 -1.085 -1.283 1.00 0.00 C ATOM 0 H PHE A 52 -6.075 -1.277 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.582 0.969 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.304 0.472 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.492 1.938 -4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.651 1.576 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.982 -1.185 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.531 0.336 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.815 -2.356 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.075 -1.606 -0.490 1.00 0.00 H new ATOM 417 N GLY A 53 -7.280 0.833 -6.585 1.00 0.00 N ATOM 418 CA GLY A 53 -8.140 1.428 -7.609 1.00 0.00 C ATOM 419 C GLY A 53 -9.445 2.062 -7.091 1.00 0.00 C ATOM 420 O GLY A 53 -9.848 3.080 -7.664 1.00 0.00 O ATOM 0 H GLY A 53 -7.012 -0.128 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.570 2.192 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.394 0.658 -8.337 1.00 0.00 H new ATOM 424 N PRO A 54 -10.100 1.560 -6.009 1.00 0.00 N ATOM 425 CA PRO A 54 -11.262 2.233 -5.413 1.00 0.00 C ATOM 426 C PRO A 54 -10.979 3.654 -4.885 1.00 0.00 C ATOM 427 O PRO A 54 -11.900 4.468 -4.800 1.00 0.00 O ATOM 428 CB PRO A 54 -11.742 1.317 -4.277 1.00 0.00 C ATOM 429 CG PRO A 54 -11.177 -0.053 -4.647 1.00 0.00 C ATOM 430 CD PRO A 54 -9.841 0.328 -5.265 1.00 0.00 C ATOM 0 HA PRO A 54 -12.017 2.385 -6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.372 1.654 -3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.830 1.297 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.057 -0.697 -3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.818 -0.585 -5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.082 0.483 -4.498 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.473 -0.459 -5.923 1.00 0.00 H new ATOM 438 N PHE A 55 -9.723 3.967 -4.543 1.00 0.00 N ATOM 439 CA PHE A 55 -9.309 5.258 -3.966 1.00 0.00 C ATOM 440 C PHE A 55 -8.884 6.227 -5.058 1.00 0.00 C ATOM 441 O PHE A 55 -9.279 7.395 -5.044 1.00 0.00 O ATOM 442 CB PHE A 55 -8.140 5.039 -3.003 1.00 0.00 C ATOM 443 CG PHE A 55 -8.301 3.831 -2.113 1.00 0.00 C ATOM 444 CD1 PHE A 55 -9.565 3.546 -1.571 1.00 0.00 C ATOM 445 CD2 PHE A 55 -7.254 2.898 -2.009 1.00 0.00 C ATOM 446 CE1 PHE A 55 -9.801 2.309 -0.957 1.00 0.00 C ATOM 447 CE2 PHE A 55 -7.465 1.717 -1.270 1.00 0.00 C ATOM 448 CZ PHE A 55 -8.746 1.408 -0.782 1.00 0.00 C ATOM 0 H PHE A 55 -8.946 3.317 -4.661 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.158 5.683 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.221 4.934 -3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.025 5.925 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.355 4.280 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.304 3.084 -2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.794 2.052 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.640 1.047 -1.078 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.916 0.472 -0.270 1.00 0.00 H new ATOM 458 N GLY A 56 -8.086 5.727 -6.006 1.00 0.00 N ATOM 459 CA GLY A 56 -7.817 6.415 -7.260 1.00 0.00 C ATOM 460 C GLY A 56 -6.351 6.577 -7.673 1.00 0.00 C ATOM 461 O GLY A 56 -5.906 5.871 -8.588 1.00 0.00 O ATOM 0 H GLY A 56 -7.609 4.829 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.334 5.879 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.263 7.408 -7.202 1.00 0.00 H new ATOM 465 N PRO A 57 -5.582 7.482 -7.044 1.00 0.00 N ATOM 466 CA PRO A 57 -4.279 7.933 -7.544 1.00 0.00 C ATOM 467 C PRO A 57 -3.073 7.023 -7.223 1.00 0.00 C ATOM 468 O PRO A 57 -1.997 7.533 -6.915 1.00 0.00 O ATOM 469 CB PRO A 57 -4.150 9.356 -6.988 1.00 0.00 C ATOM 470 CG PRO A 57 -4.785 9.216 -5.610 1.00 0.00 C ATOM 471 CD PRO A 57 -5.948 8.253 -5.855 1.00 0.00 C ATOM 0 HA PRO A 57 -4.251 7.895 -8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.110 9.678 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.674 10.085 -7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.080 8.818 -4.881 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.131 10.176 -5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.102 7.599 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.880 8.797 -6.013 1.00 0.00 H new ATOM 479 N MET A 58 -3.229 5.691 -7.278 1.00 0.00 N ATOM 480 CA MET A 58 -2.128 4.696 -7.266 1.00 0.00 C ATOM 481 C MET A 58 -1.077 5.053 -8.332 1.00 0.00 C ATOM 482 O MET A 58 -1.224 4.768 -9.524 1.00 0.00 O ATOM 483 CB MET A 58 -2.655 3.272 -7.422 1.00 0.00 C ATOM 484 CG MET A 58 -3.780 3.081 -8.448 1.00 0.00 C ATOM 485 SD MET A 58 -3.666 1.493 -9.303 1.00 0.00 S ATOM 486 CE MET A 58 -3.654 0.408 -7.860 1.00 0.00 C ATOM 0 H MET A 58 -4.150 5.256 -7.334 1.00 0.00 H new ATOM 0 HA MET A 58 -1.638 4.733 -6.293 1.00 0.00 H new ATOM 0 HB2 MET A 58 -1.822 2.626 -7.700 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.013 2.930 -6.451 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.744 3.151 -7.944 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.743 3.888 -9.179 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.358 -0.596 -8.162 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.946 0.789 -7.124 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.651 0.376 -7.421 1.00 0.00 H new ATOM 496 N LYS A 59 -0.021 5.719 -7.862 1.00 0.00 N ATOM 497 CA LYS A 59 0.992 6.413 -8.664 1.00 0.00 C ATOM 498 C LYS A 59 2.355 5.722 -8.631 1.00 0.00 C ATOM 499 O LYS A 59 3.120 5.841 -9.587 1.00 0.00 O ATOM 500 CB LYS A 59 0.948 7.846 -8.124 1.00 0.00 C ATOM 501 CG LYS A 59 2.041 8.836 -8.470 1.00 0.00 C ATOM 502 CD LYS A 59 3.314 8.771 -7.621 1.00 0.00 C ATOM 503 CE LYS A 59 3.041 8.906 -6.130 1.00 0.00 C ATOM 504 NZ LYS A 59 4.188 9.485 -5.387 1.00 0.00 N ATOM 0 H LYS A 59 0.161 5.794 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 59 0.792 6.401 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.004 8.283 -8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.909 7.778 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.319 8.687 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.628 9.842 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.821 7.824 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.994 9.564 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.163 9.534 -5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.805 7.925 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.853 9.881 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.890 8.742 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.625 10.238 -5.955 1.00 0.00 H new ATOM 518 N GLU A 60 2.631 4.944 -7.587 1.00 0.00 N ATOM 519 CA GLU A 60 3.745 3.993 -7.536 1.00 0.00 C ATOM 520 C GLU A 60 3.316 2.734 -6.793 1.00 0.00 C ATOM 521 O GLU A 60 2.321 2.721 -6.074 1.00 0.00 O ATOM 522 CB GLU A 60 5.055 4.623 -7.028 1.00 0.00 C ATOM 523 CG GLU A 60 6.119 4.771 -8.122 1.00 0.00 C ATOM 524 CD GLU A 60 6.642 3.454 -8.735 1.00 0.00 C ATOM 525 OE1 GLU A 60 6.518 2.379 -8.101 1.00 0.00 O ATOM 526 OE2 GLU A 60 7.196 3.492 -9.858 1.00 0.00 O ATOM 0 H GLU A 60 2.075 4.956 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 60 3.993 3.692 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.839 5.604 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.456 4.010 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.706 5.384 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.966 5.318 -7.707 1.00 0.00 H new ATOM 533 N VAL A 61 4.026 1.652 -7.085 1.00 0.00 N ATOM 534 CA VAL A 61 3.667 0.273 -6.771 1.00 0.00 C ATOM 535 C VAL A 61 4.960 -0.541 -6.700 1.00 0.00 C ATOM 536 O VAL A 61 5.274 -1.330 -7.596 1.00 0.00 O ATOM 537 CB VAL A 61 2.691 -0.297 -7.851 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.945 -1.516 -7.315 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.617 0.652 -8.406 1.00 0.00 C ATOM 0 H VAL A 61 4.918 1.716 -7.575 1.00 0.00 H new ATOM 0 HA VAL A 61 3.147 0.219 -5.814 1.00 0.00 H new ATOM 0 HB VAL A 61 3.371 -0.519 -8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.271 -1.897 -8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.662 -2.291 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.368 -1.232 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.013 0.125 -9.145 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.978 0.994 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.097 1.510 -8.876 1.00 0.00 H new ATOM 549 N LYS A 62 5.767 -0.326 -5.652 1.00 0.00 N ATOM 550 CA LYS A 62 6.934 -1.188 -5.414 1.00 0.00 C ATOM 551 C LYS A 62 6.429 -2.557 -4.988 1.00 0.00 C ATOM 552 O LYS A 62 5.650 -2.630 -4.038 1.00 0.00 O ATOM 553 CB LYS A 62 7.883 -0.633 -4.352 1.00 0.00 C ATOM 554 CG LYS A 62 8.228 0.854 -4.525 1.00 0.00 C ATOM 555 CD LYS A 62 9.515 1.242 -3.786 1.00 0.00 C ATOM 556 CE LYS A 62 9.506 0.810 -2.313 1.00 0.00 C ATOM 557 NZ LYS A 62 10.769 1.203 -1.645 1.00 0.00 N ATOM 0 H LYS A 62 5.639 0.420 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 62 7.508 -1.243 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.434 -0.777 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.806 -1.212 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.339 1.078 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.402 1.462 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.369 0.787 -4.288 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.650 2.322 -3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.660 1.267 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.374 -0.270 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.744 0.902 -0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.572 0.747 -2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.879 2.236 -1.692 1.00 0.00 H new ATOM 571 N ILE A 63 6.861 -3.620 -5.655 1.00 0.00 N ATOM 572 CA ILE A 63 6.431 -5.002 -5.369 1.00 0.00 C ATOM 573 C ILE A 63 7.648 -5.919 -5.194 1.00 0.00 C ATOM 574 O ILE A 63 8.512 -6.029 -6.065 1.00 0.00 O ATOM 575 CB ILE A 63 5.432 -5.539 -6.425 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.212 -4.596 -6.525 1.00 0.00 C ATOM 577 CG2 ILE A 63 4.975 -6.963 -6.050 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.116 -5.023 -7.505 1.00 0.00 C ATOM 0 H ILE A 63 7.530 -3.556 -6.423 1.00 0.00 H new ATOM 0 HA ILE A 63 5.885 -4.993 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 63 5.929 -5.576 -7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.769 -4.500 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.565 -3.606 -6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.273 -7.329 -6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.841 -7.624 -6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.487 -6.944 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.311 -4.289 -7.493 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.532 -5.088 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.724 -5.996 -7.211 1.00 0.00 H new ATOM 590 N LEU A 64 7.693 -6.563 -4.031 1.00 0.00 N ATOM 591 CA LEU A 64 8.707 -7.503 -3.539 1.00 0.00 C ATOM 592 C LEU A 64 8.060 -8.893 -3.360 1.00 0.00 C ATOM 593 O LEU A 64 6.847 -9.027 -3.514 1.00 0.00 O ATOM 594 CB LEU A 64 9.312 -7.042 -2.213 1.00 0.00 C ATOM 595 CG LEU A 64 9.416 -5.530 -1.989 1.00 0.00 C ATOM 596 CD1 LEU A 64 10.245 -5.367 -0.740 1.00 0.00 C ATOM 597 CD2 LEU A 64 10.136 -4.694 -3.034 1.00 0.00 C ATOM 0 H LEU A 64 6.953 -6.430 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 64 9.513 -7.550 -4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.718 -7.465 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.312 -7.467 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 64 8.385 -5.175 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.362 -4.307 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.747 -5.861 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.226 -5.816 -0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.125 -3.647 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.167 -5.035 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.633 -4.800 -3.995 1.00 0.00 H new ATOM 609 N ASN A 65 8.846 -9.886 -2.928 1.00 0.00 N ATOM 610 CA ASN A 65 8.536 -11.318 -2.696 1.00 0.00 C ATOM 611 C ASN A 65 7.380 -11.650 -1.708 1.00 0.00 C ATOM 612 O ASN A 65 7.534 -12.447 -0.773 1.00 0.00 O ATOM 613 CB ASN A 65 9.821 -11.965 -2.166 1.00 0.00 C ATOM 614 CG ASN A 65 11.046 -11.739 -3.040 1.00 0.00 C ATOM 615 OD1 ASN A 65 11.076 -12.073 -4.216 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.085 -11.141 -2.499 1.00 0.00 N ATOM 0 H ASN A 65 9.823 -9.694 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 65 8.182 -11.701 -3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.025 -11.575 -1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.657 -13.038 -2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.916 -10.956 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.060 -10.863 -1.518 1.00 0.00 H new ATOM 623 N GLY A 66 6.238 -10.996 -1.845 1.00 0.00 N ATOM 624 CA GLY A 66 5.124 -10.998 -0.916 1.00 0.00 C ATOM 625 C GLY A 66 4.823 -9.617 -0.319 1.00 0.00 C ATOM 626 O GLY A 66 3.971 -9.519 0.558 1.00 0.00 O ATOM 0 H GLY A 66 6.055 -10.413 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.235 -11.365 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.337 -11.696 -0.107 1.00 0.00 H new ATOM 630 N PHE A 67 5.503 -8.547 -0.761 1.00 0.00 N ATOM 631 CA PHE A 67 5.350 -7.215 -0.151 1.00 0.00 C ATOM 632 C PHE A 67 5.030 -6.169 -1.218 1.00 0.00 C ATOM 633 O PHE A 67 5.492 -6.266 -2.350 1.00 0.00 O ATOM 634 CB PHE A 67 6.601 -6.811 0.647 1.00 0.00 C ATOM 635 CG PHE A 67 7.152 -7.821 1.646 1.00 0.00 C ATOM 636 CD1 PHE A 67 7.792 -9.001 1.210 1.00 0.00 C ATOM 637 CD2 PHE A 67 7.061 -7.563 3.032 1.00 0.00 C ATOM 638 CE1 PHE A 67 8.264 -9.942 2.141 1.00 0.00 C ATOM 639 CE2 PHE A 67 7.537 -8.500 3.962 1.00 0.00 C ATOM 640 CZ PHE A 67 8.128 -9.696 3.524 1.00 0.00 C ATOM 0 H PHE A 67 6.164 -8.577 -1.538 1.00 0.00 H new ATOM 0 HA PHE A 67 4.516 -7.266 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.392 -6.575 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.374 -5.892 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 67 7.920 -9.182 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.622 -6.639 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.731 -10.854 1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.448 -8.300 5.020 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.477 -10.424 4.242 1.00 0.00 H new ATOM 650 N ALA A 68 4.264 -5.149 -0.857 1.00 0.00 N ATOM 651 CA ALA A 68 3.848 -4.069 -1.744 1.00 0.00 C ATOM 652 C ALA A 68 3.841 -2.742 -0.978 1.00 0.00 C ATOM 653 O ALA A 68 3.356 -2.637 0.141 1.00 0.00 O ATOM 654 CB ALA A 68 2.506 -4.423 -2.369 1.00 0.00 C ATOM 0 H ALA A 68 3.903 -5.046 0.091 1.00 0.00 H new ATOM 0 HA ALA A 68 4.555 -3.943 -2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.190 -3.618 -3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.602 -5.347 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.763 -4.557 -1.583 1.00 0.00 H new ATOM 660 N PHE A 69 4.414 -1.732 -1.627 1.00 0.00 N ATOM 661 CA PHE A 69 4.576 -0.377 -1.118 1.00 0.00 C ATOM 662 C PHE A 69 4.027 0.518 -2.216 1.00 0.00 C ATOM 663 O PHE A 69 4.730 0.973 -3.121 1.00 0.00 O ATOM 664 CB PHE A 69 6.032 -0.038 -0.730 1.00 0.00 C ATOM 665 CG PHE A 69 6.780 -1.084 0.070 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.069 -2.338 -0.491 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.217 -0.805 1.377 1.00 0.00 C ATOM 668 CE1 PHE A 69 7.690 -3.325 0.269 1.00 0.00 C ATOM 669 CE2 PHE A 69 7.918 -1.777 2.117 1.00 0.00 C ATOM 670 CZ PHE A 69 8.150 -3.046 1.559 1.00 0.00 C ATOM 0 H PHE A 69 4.795 -1.843 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 69 4.039 -0.238 -0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.592 0.157 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.025 0.889 -0.157 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.808 -2.538 -1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.014 0.161 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.818 -4.316 -0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.276 -1.548 3.110 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.680 -3.800 2.123 1.00 0.00 H new ATOM 680 N VAL A 70 2.705 0.625 -2.185 1.00 0.00 N ATOM 681 CA VAL A 70 1.961 1.447 -3.134 1.00 0.00 C ATOM 682 C VAL A 70 2.111 2.888 -2.666 1.00 0.00 C ATOM 683 O VAL A 70 2.409 3.142 -1.497 1.00 0.00 O ATOM 684 CB VAL A 70 0.541 0.893 -3.359 1.00 0.00 C ATOM 685 CG1 VAL A 70 -0.056 1.177 -4.735 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.628 -0.618 -3.473 1.00 0.00 C ATOM 0 H VAL A 70 2.118 0.146 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 70 2.353 1.417 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.035 1.334 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.056 0.747 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.115 2.254 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.576 0.733 -5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.369 -1.029 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.269 -0.883 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.047 -1.029 -2.554 1.00 0.00 H new ATOM 696 N GLU A 71 1.982 3.854 -3.554 1.00 0.00 N ATOM 697 CA GLU A 71 2.378 5.229 -3.270 1.00 0.00 C ATOM 698 C GLU A 71 1.517 6.202 -4.075 1.00 0.00 C ATOM 699 O GLU A 71 1.153 5.919 -5.224 1.00 0.00 O ATOM 700 CB GLU A 71 3.850 5.356 -3.687 1.00 0.00 C ATOM 701 CG GLU A 71 4.485 6.676 -3.248 1.00 0.00 C ATOM 702 CD GLU A 71 5.910 6.835 -3.789 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.849 6.264 -3.189 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.084 7.569 -4.796 1.00 0.00 O ATOM 0 H GLU A 71 1.602 3.714 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 71 2.246 5.466 -2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.415 4.528 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.924 5.267 -4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.871 7.507 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.503 6.725 -2.159 1.00 0.00 H new ATOM 711 N PHE A 72 1.245 7.371 -3.499 1.00 0.00 N ATOM 712 CA PHE A 72 0.330 8.358 -4.053 1.00 0.00 C ATOM 713 C PHE A 72 0.872 9.793 -4.060 1.00 0.00 C ATOM 714 O PHE A 72 1.931 10.098 -3.511 1.00 0.00 O ATOM 715 CB PHE A 72 -0.971 8.336 -3.246 1.00 0.00 C ATOM 716 CG PHE A 72 -1.727 7.038 -3.006 1.00 0.00 C ATOM 717 CD1 PHE A 72 -1.947 6.132 -4.050 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.388 6.838 -1.777 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.871 5.078 -3.893 1.00 0.00 C ATOM 720 CE2 PHE A 72 -3.339 5.815 -1.633 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.587 4.936 -2.698 1.00 0.00 C ATOM 0 H PHE A 72 1.665 7.661 -2.616 1.00 0.00 H new ATOM 0 HA PHE A 72 0.177 8.078 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.746 8.759 -2.267 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.662 9.021 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.407 6.240 -4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.161 7.478 -0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.027 4.376 -4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.879 5.705 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.326 4.155 -2.597 1.00 0.00 H new ATOM 731 N GLU A 73 0.157 10.666 -4.765 1.00 0.00 N ATOM 732 CA GLU A 73 0.585 12.041 -5.083 1.00 0.00 C ATOM 733 C GLU A 73 0.059 13.147 -4.130 1.00 0.00 C ATOM 734 O GLU A 73 0.532 14.283 -4.199 1.00 0.00 O ATOM 735 CB GLU A 73 0.225 12.343 -6.548 1.00 0.00 C ATOM 736 CG GLU A 73 -1.284 12.390 -6.824 1.00 0.00 C ATOM 737 CD GLU A 73 -1.553 12.421 -8.340 1.00 0.00 C ATOM 738 OE1 GLU A 73 -1.615 11.339 -8.972 1.00 0.00 O ATOM 739 OE2 GLU A 73 -1.701 13.528 -8.910 1.00 0.00 O ATOM 0 H GLU A 73 -0.762 10.438 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 73 1.664 12.070 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.665 13.300 -6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.677 11.584 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.768 11.520 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.719 13.272 -6.353 1.00 0.00 H new ATOM 746 N GLU A 74 -0.900 12.851 -3.243 1.00 0.00 N ATOM 747 CA GLU A 74 -1.530 13.818 -2.314 1.00 0.00 C ATOM 748 C GLU A 74 -2.071 13.087 -1.067 1.00 0.00 C ATOM 749 O GLU A 74 -2.566 11.970 -1.190 1.00 0.00 O ATOM 750 CB GLU A 74 -2.683 14.537 -3.056 1.00 0.00 C ATOM 751 CG GLU A 74 -2.897 16.001 -2.642 1.00 0.00 C ATOM 752 CD GLU A 74 -3.106 16.171 -1.136 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.191 15.807 -0.632 1.00 0.00 O ATOM 754 OE2 GLU A 74 -2.153 16.590 -0.429 1.00 0.00 O ATOM 0 H GLU A 74 -1.274 11.907 -3.143 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.791 14.548 -1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.486 14.502 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.607 13.986 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.034 16.591 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.763 16.400 -3.171 1.00 0.00 H new ATOM 761 N ALA A 75 -2.020 13.670 0.130 1.00 0.00 N ATOM 762 CA ALA A 75 -2.336 12.963 1.377 1.00 0.00 C ATOM 763 C ALA A 75 -3.809 12.541 1.555 1.00 0.00 C ATOM 764 O ALA A 75 -4.101 11.641 2.343 1.00 0.00 O ATOM 765 CB ALA A 75 -1.797 13.773 2.563 1.00 0.00 C ATOM 0 H ALA A 75 -1.759 14.647 0.266 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.828 12.000 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.028 13.254 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.717 13.883 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.263 14.758 2.572 1.00 0.00 H new ATOM 771 N GLU A 76 -4.730 13.113 0.773 1.00 0.00 N ATOM 772 CA GLU A 76 -6.128 12.673 0.645 1.00 0.00 C ATOM 773 C GLU A 76 -6.284 11.190 0.344 1.00 0.00 C ATOM 774 O GLU A 76 -7.143 10.502 0.899 1.00 0.00 O ATOM 775 CB GLU A 76 -6.739 13.429 -0.534 1.00 0.00 C ATOM 776 CG GLU A 76 -7.269 14.772 -0.048 1.00 0.00 C ATOM 777 CD GLU A 76 -8.599 14.600 0.717 1.00 0.00 C ATOM 778 OE1 GLU A 76 -9.443 13.759 0.314 1.00 0.00 O ATOM 779 OE2 GLU A 76 -8.807 15.299 1.744 1.00 0.00 O ATOM 0 H GLU A 76 -4.518 13.923 0.191 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.613 12.869 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.990 13.580 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.546 12.845 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.531 15.245 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.418 15.437 -0.899 1.00 0.00 H new ATOM 786 N SER A 77 -5.475 10.727 -0.593 1.00 0.00 N ATOM 787 CA SER A 77 -5.497 9.368 -1.119 1.00 0.00 C ATOM 788 C SER A 77 -5.068 8.345 -0.075 1.00 0.00 C ATOM 789 O SER A 77 -5.731 7.328 0.112 1.00 0.00 O ATOM 790 CB SER A 77 -4.573 9.330 -2.319 1.00 0.00 C ATOM 791 OG SER A 77 -3.250 9.620 -1.951 1.00 0.00 O ATOM 0 H SER A 77 -4.757 11.307 -1.026 1.00 0.00 H new ATOM 0 HA SER A 77 -6.515 9.103 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.616 8.345 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.912 10.049 -3.065 1.00 0.00 H new ATOM 0 HG SER A 77 -3.140 10.590 -1.863 1.00 0.00 H new ATOM 797 N ALA A 78 -4.005 8.653 0.657 1.00 0.00 N ATOM 798 CA ALA A 78 -3.595 7.874 1.819 1.00 0.00 C ATOM 799 C ALA A 78 -4.661 7.926 2.915 1.00 0.00 C ATOM 800 O ALA A 78 -5.084 6.865 3.353 1.00 0.00 O ATOM 801 CB ALA A 78 -2.228 8.343 2.306 1.00 0.00 C ATOM 0 H ALA A 78 -3.401 9.452 0.461 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.497 6.827 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.930 7.755 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.494 8.213 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.282 9.396 2.582 1.00 0.00 H new ATOM 807 N ALA A 79 -5.165 9.108 3.295 1.00 0.00 N ATOM 808 CA ALA A 79 -6.206 9.261 4.319 1.00 0.00 C ATOM 809 C ALA A 79 -7.418 8.354 4.045 1.00 0.00 C ATOM 810 O ALA A 79 -7.826 7.570 4.920 1.00 0.00 O ATOM 811 CB ALA A 79 -6.598 10.741 4.424 1.00 0.00 C ATOM 0 H ALA A 79 -4.857 9.994 2.895 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.808 8.938 5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.371 10.860 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.724 11.330 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.978 11.086 3.462 1.00 0.00 H new ATOM 817 N LYS A 80 -7.944 8.385 2.814 1.00 0.00 N ATOM 818 CA LYS A 80 -9.033 7.480 2.441 1.00 0.00 C ATOM 819 C LYS A 80 -8.597 6.027 2.380 1.00 0.00 C ATOM 820 O LYS A 80 -9.296 5.193 2.929 1.00 0.00 O ATOM 821 CB LYS A 80 -9.765 7.926 1.170 1.00 0.00 C ATOM 822 CG LYS A 80 -8.965 7.793 -0.127 1.00 0.00 C ATOM 823 CD LYS A 80 -9.684 8.435 -1.335 1.00 0.00 C ATOM 824 CE LYS A 80 -9.373 9.923 -1.605 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.668 10.820 -0.460 1.00 0.00 N ATOM 0 H LYS A 80 -7.639 9.016 2.073 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.761 7.543 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.680 7.342 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.062 8.968 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.989 8.262 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.787 6.738 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.428 7.865 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.759 8.332 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.320 10.021 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.949 10.253 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.747 11.800 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.564 10.533 -0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.900 10.756 0.238 1.00 0.00 H new ATOM 839 N ALA A 81 -7.447 5.707 1.784 1.00 0.00 N ATOM 840 CA ALA A 81 -7.001 4.317 1.687 1.00 0.00 C ATOM 841 C ALA A 81 -6.864 3.691 3.094 1.00 0.00 C ATOM 842 O ALA A 81 -7.316 2.571 3.335 1.00 0.00 O ATOM 843 CB ALA A 81 -5.695 4.215 0.883 1.00 0.00 C ATOM 0 H ALA A 81 -6.812 6.386 1.364 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.756 3.746 1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.384 3.172 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.856 4.602 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.918 4.799 1.376 1.00 0.00 H new ATOM 849 N ILE A 82 -6.323 4.451 4.060 1.00 0.00 N ATOM 850 CA ILE A 82 -6.275 4.098 5.477 1.00 0.00 C ATOM 851 C ILE A 82 -7.678 3.777 6.000 1.00 0.00 C ATOM 852 O ILE A 82 -7.943 2.655 6.429 1.00 0.00 O ATOM 853 CB ILE A 82 -5.634 5.211 6.343 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.162 5.481 5.973 1.00 0.00 C ATOM 855 CG2 ILE A 82 -5.697 4.878 7.845 1.00 0.00 C ATOM 856 CD1 ILE A 82 -3.785 6.935 6.241 1.00 0.00 C ATOM 0 H ILE A 82 -5.895 5.356 3.864 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.644 3.213 5.559 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.222 6.105 6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.512 4.822 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.000 5.248 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.237 5.684 8.416 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.738 4.766 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.161 3.948 8.034 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.741 7.096 5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.420 7.591 5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.924 7.158 7.299 1.00 0.00 H new ATOM 868 N GLU A 83 -8.597 4.743 5.919 1.00 0.00 N ATOM 869 CA GLU A 83 -9.968 4.557 6.415 1.00 0.00 C ATOM 870 C GLU A 83 -10.695 3.374 5.739 1.00 0.00 C ATOM 871 O GLU A 83 -11.462 2.655 6.383 1.00 0.00 O ATOM 872 CB GLU A 83 -10.753 5.862 6.240 1.00 0.00 C ATOM 873 CG GLU A 83 -10.230 6.992 7.138 1.00 0.00 C ATOM 874 CD GLU A 83 -10.766 6.883 8.584 1.00 0.00 C ATOM 875 OE1 GLU A 83 -10.230 6.079 9.383 1.00 0.00 O ATOM 876 OE2 GLU A 83 -11.728 7.611 8.931 1.00 0.00 O ATOM 0 H GLU A 83 -8.419 5.663 5.515 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.908 4.305 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.699 6.177 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.804 5.682 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.140 6.967 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.521 7.954 6.716 1.00 0.00 H new ATOM 883 N GLU A 84 -10.401 3.120 4.463 1.00 0.00 N ATOM 884 CA GLU A 84 -11.055 2.116 3.620 1.00 0.00 C ATOM 885 C GLU A 84 -10.549 0.688 3.858 1.00 0.00 C ATOM 886 O GLU A 84 -11.349 -0.251 3.852 1.00 0.00 O ATOM 887 CB GLU A 84 -10.789 2.438 2.135 1.00 0.00 C ATOM 888 CG GLU A 84 -11.511 3.674 1.570 1.00 0.00 C ATOM 889 CD GLU A 84 -12.917 3.339 1.040 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.761 2.817 1.807 1.00 0.00 O ATOM 891 OE2 GLU A 84 -13.200 3.612 -0.152 1.00 0.00 O ATOM 0 H GLU A 84 -9.670 3.630 3.967 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.113 2.157 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.716 2.576 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.076 1.571 1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.590 4.433 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.915 4.104 0.765 1.00 0.00 H new ATOM 898 N VAL A 85 -9.238 0.500 4.075 1.00 0.00 N ATOM 899 CA VAL A 85 -8.615 -0.838 4.017 1.00 0.00 C ATOM 900 C VAL A 85 -7.393 -1.051 4.948 1.00 0.00 C ATOM 901 O VAL A 85 -6.853 -2.152 5.011 1.00 0.00 O ATOM 902 CB VAL A 85 -8.395 -1.192 2.531 1.00 0.00 C ATOM 903 CG1 VAL A 85 -7.392 -0.283 1.817 1.00 0.00 C ATOM 904 CG2 VAL A 85 -8.073 -2.663 2.275 1.00 0.00 C ATOM 0 H VAL A 85 -8.587 1.254 4.292 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.301 -1.565 4.453 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.372 -1.003 2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.293 -0.596 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.745 0.748 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.423 -0.352 2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.934 -2.824 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.160 -2.933 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.896 -3.283 2.631 1.00 0.00 H new ATOM 914 N HIS A 86 -6.986 -0.069 5.759 1.00 0.00 N ATOM 915 CA HIS A 86 -5.999 -0.304 6.835 1.00 0.00 C ATOM 916 C HIS A 86 -6.619 -1.080 8.003 1.00 0.00 C ATOM 917 O HIS A 86 -7.676 -0.711 8.517 1.00 0.00 O ATOM 918 CB HIS A 86 -5.452 1.018 7.381 1.00 0.00 C ATOM 919 CG HIS A 86 -4.277 0.891 8.329 1.00 0.00 C ATOM 920 ND1 HIS A 86 -3.010 1.365 8.098 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.277 0.391 9.611 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.257 1.145 9.185 1.00 0.00 C ATOM 923 NE2 HIS A 86 -2.988 0.542 10.144 1.00 0.00 N ATOM 0 H HIS A 86 -7.319 0.893 5.697 1.00 0.00 H new ATOM 0 HA HIS A 86 -5.191 -0.887 6.393 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.153 1.643 6.540 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.258 1.541 7.896 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.693 1.812 7.238 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.125 -0.044 10.120 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.215 1.412 9.279 1.00 0.00 H new ATOM 931 N GLY A 87 -5.951 -2.148 8.439 1.00 0.00 N ATOM 932 CA GLY A 87 -6.284 -2.927 9.643 1.00 0.00 C ATOM 933 C GLY A 87 -7.312 -4.017 9.345 1.00 0.00 C ATOM 934 O GLY A 87 -7.578 -4.894 10.170 1.00 0.00 O ATOM 0 H GLY A 87 -5.133 -2.512 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.378 -3.381 10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.674 -2.260 10.412 1.00 0.00 H new ATOM 938 N LYS A 88 -7.864 -3.957 8.133 1.00 0.00 N ATOM 939 CA LYS A 88 -8.695 -4.947 7.492 1.00 0.00 C ATOM 940 C LYS A 88 -7.810 -6.086 6.985 1.00 0.00 C ATOM 941 O LYS A 88 -6.717 -5.868 6.458 1.00 0.00 O ATOM 942 CB LYS A 88 -9.420 -4.241 6.343 1.00 0.00 C ATOM 943 CG LYS A 88 -10.759 -3.596 6.764 1.00 0.00 C ATOM 944 CD LYS A 88 -10.683 -2.366 7.694 1.00 0.00 C ATOM 945 CE LYS A 88 -10.528 -1.055 6.915 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.351 0.119 7.806 1.00 0.00 N ATOM 0 H LYS A 88 -7.723 -3.143 7.535 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.426 -5.379 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.768 -3.471 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.607 -4.960 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.294 -3.305 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -11.361 -4.358 7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.585 -2.319 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.842 -2.482 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.670 -1.132 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.407 -0.902 6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.554 0.991 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.003 0.044 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.371 0.146 8.154 1.00 0.00 H new ATOM 960 N SER A 89 -8.293 -7.298 7.208 1.00 0.00 N ATOM 961 CA SER A 89 -7.574 -8.559 6.989 1.00 0.00 C ATOM 962 C SER A 89 -7.659 -9.019 5.534 1.00 0.00 C ATOM 963 O SER A 89 -8.724 -9.445 5.078 1.00 0.00 O ATOM 964 CB SER A 89 -8.100 -9.635 7.959 1.00 0.00 C ATOM 965 OG SER A 89 -9.517 -9.733 7.936 1.00 0.00 O ATOM 0 H SER A 89 -9.238 -7.444 7.562 1.00 0.00 H new ATOM 0 HA SER A 89 -6.517 -8.392 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.667 -10.600 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.770 -9.401 8.971 1.00 0.00 H new ATOM 0 HG SER A 89 -9.835 -9.662 7.012 1.00 0.00 H new ATOM 971 N PHE A 90 -6.545 -8.964 4.798 1.00 0.00 N ATOM 972 CA PHE A 90 -6.469 -9.525 3.445 1.00 0.00 C ATOM 973 C PHE A 90 -5.634 -10.814 3.459 1.00 0.00 C ATOM 974 O PHE A 90 -4.643 -10.905 4.181 1.00 0.00 O ATOM 975 CB PHE A 90 -5.856 -8.462 2.556 1.00 0.00 C ATOM 976 CG PHE A 90 -6.130 -8.672 1.081 1.00 0.00 C ATOM 977 CD1 PHE A 90 -5.386 -9.614 0.356 1.00 0.00 C ATOM 978 CD2 PHE A 90 -7.182 -7.968 0.471 1.00 0.00 C ATOM 979 CE1 PHE A 90 -5.731 -9.896 -0.969 1.00 0.00 C ATOM 980 CE2 PHE A 90 -7.514 -8.234 -0.863 1.00 0.00 C ATOM 981 CZ PHE A 90 -6.806 -9.219 -1.570 1.00 0.00 C ATOM 0 H PHE A 90 -5.678 -8.534 5.119 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.455 -9.794 3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.240 -7.486 2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.778 -8.443 2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.551 -10.119 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -7.732 -7.225 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.173 -10.632 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -8.309 -7.685 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.090 -9.458 -2.584 1.00 0.00 H new ATOM 991 N ALA A 91 -6.017 -11.794 2.629 1.00 0.00 N ATOM 992 CA ALA A 91 -5.436 -13.139 2.482 1.00 0.00 C ATOM 993 C ALA A 91 -5.316 -13.982 3.780 1.00 0.00 C ATOM 994 O ALA A 91 -5.909 -15.060 3.865 1.00 0.00 O ATOM 995 CB ALA A 91 -4.092 -13.015 1.746 1.00 0.00 C ATOM 0 H ALA A 91 -6.802 -11.658 1.993 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.150 -13.717 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.649 -14.004 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.255 -12.572 0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.418 -12.381 2.323 1.00 0.00 H new ATOM 1001 N ASN A 92 -4.561 -13.507 4.769 1.00 0.00 N ATOM 1002 CA ASN A 92 -4.252 -14.180 6.029 1.00 0.00 C ATOM 1003 C ASN A 92 -3.860 -13.208 7.176 1.00 0.00 C ATOM 1004 O ASN A 92 -3.683 -13.672 8.304 1.00 0.00 O ATOM 1005 CB ASN A 92 -3.159 -15.243 5.761 1.00 0.00 C ATOM 1006 CG ASN A 92 -2.021 -14.755 4.880 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -2.006 -14.973 3.675 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -1.046 -14.065 5.418 1.00 0.00 N ATOM 0 H ASN A 92 -4.123 -12.588 4.708 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.159 -14.665 6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.749 -15.575 6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.620 -16.112 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.286 -13.716 4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.047 -13.877 6.420 1.00 0.00 H new ATOM 1015 N GLN A 93 -3.725 -11.891 6.931 1.00 0.00 N ATOM 1016 CA GLN A 93 -3.398 -10.895 7.970 1.00 0.00 C ATOM 1017 C GLN A 93 -3.755 -9.453 7.540 1.00 0.00 C ATOM 1018 O GLN A 93 -4.014 -9.202 6.353 1.00 0.00 O ATOM 1019 CB GLN A 93 -1.916 -11.030 8.390 1.00 0.00 C ATOM 1020 CG GLN A 93 -0.911 -10.660 7.308 1.00 0.00 C ATOM 1021 CD GLN A 93 0.524 -10.578 7.814 1.00 0.00 C ATOM 1022 OE1 GLN A 93 1.114 -9.509 7.868 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.145 -11.670 8.206 1.00 0.00 N ATOM 0 H GLN A 93 -3.840 -11.486 6.002 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.019 -11.104 8.841 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.741 -10.398 9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.733 -12.059 8.700 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.964 -11.397 6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -1.191 -9.699 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.667 -12.570 8.167 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.104 -11.616 8.548 1.00 0.00 H new ATOM 1032 N PRO A 94 -3.806 -8.478 8.463 1.00 0.00 N ATOM 1033 CA PRO A 94 -4.140 -7.105 8.104 1.00 0.00 C ATOM 1034 C PRO A 94 -3.048 -6.300 7.396 1.00 0.00 C ATOM 1035 O PRO A 94 -1.837 -6.490 7.555 1.00 0.00 O ATOM 1036 CB PRO A 94 -4.573 -6.422 9.402 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.852 -7.233 10.473 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.881 -8.645 9.912 1.00 0.00 C ATOM 0 HA PRO A 94 -4.926 -7.142 7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.279 -5.373 9.424 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.655 -6.452 9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.832 -6.881 10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.359 -7.171 11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.044 -9.235 10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.793 -9.166 10.202 1.00 0.00 H new ATOM 1046 N LEU A 95 -3.564 -5.350 6.618 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.894 -4.363 5.777 1.00 0.00 C ATOM 1048 C LEU A 95 -2.462 -3.124 6.567 1.00 0.00 C ATOM 1049 O LEU A 95 -3.210 -2.613 7.397 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.940 -4.012 4.701 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.900 -4.923 3.465 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -3.492 -6.352 3.694 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -5.186 -4.937 2.663 1.00 0.00 C ATOM 0 H LEU A 95 -4.576 -5.243 6.556 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.969 -4.753 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.934 -4.064 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.787 -2.981 4.384 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.103 -4.439 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.503 -6.890 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.487 -6.380 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.190 -6.823 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.074 -5.604 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.004 -5.288 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.406 -3.929 2.311 1.00 0.00 H new ATOM 1065 N GLU A 96 -1.284 -2.596 6.232 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.665 -1.430 6.887 1.00 0.00 C ATOM 1067 C GLU A 96 -0.563 -0.262 5.884 1.00 0.00 C ATOM 1068 O GLU A 96 0.467 0.354 5.592 1.00 0.00 O ATOM 1069 CB GLU A 96 0.619 -1.897 7.579 1.00 0.00 C ATOM 1070 CG GLU A 96 1.141 -0.926 8.630 1.00 0.00 C ATOM 1071 CD GLU A 96 2.336 -1.535 9.389 1.00 0.00 C ATOM 1072 OE1 GLU A 96 2.440 -2.782 9.507 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.173 -0.760 9.905 1.00 0.00 O ATOM 0 H GLU A 96 -0.713 -2.975 5.476 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.270 -1.007 7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.436 -2.863 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.391 -2.051 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.444 0.006 8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.345 -0.680 9.333 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.722 -0.017 5.280 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.995 0.979 4.237 1.00 0.00 C ATOM 1082 C VAL A 97 -1.838 2.332 4.878 1.00 0.00 C ATOM 1083 O VAL A 97 -2.692 2.704 5.681 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.459 0.826 3.811 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -4.007 1.925 2.907 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.658 -0.509 3.104 1.00 0.00 C ATOM 0 H VAL A 97 -2.560 -0.546 5.521 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.331 0.859 3.381 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.017 0.893 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.050 1.714 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.938 2.885 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.425 1.962 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.701 -0.610 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.021 -0.551 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.394 -1.322 3.781 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.741 3.041 4.622 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.455 4.160 5.521 1.00 0.00 C ATOM 1098 C VAL A 98 0.371 5.284 4.895 1.00 0.00 C ATOM 1099 O VAL A 98 0.060 5.810 3.823 1.00 0.00 O ATOM 1100 CB VAL A 98 0.046 3.499 6.860 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.530 3.130 7.053 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.638 4.184 8.025 1.00 0.00 C ATOM 0 H VAL A 98 -0.080 2.882 3.862 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.337 4.757 5.752 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.272 2.459 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.670 2.688 8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.829 2.413 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.142 4.028 6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.300 3.736 8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.389 5.245 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.718 4.064 7.935 1.00 0.00 H new ATOM 1112 N TYR A 99 1.442 5.651 5.570 1.00 0.00 N ATOM 1113 CA TYR A 99 2.522 6.520 5.122 1.00 0.00 C ATOM 1114 C TYR A 99 3.815 5.693 4.908 1.00 0.00 C ATOM 1115 O TYR A 99 4.913 6.228 4.817 1.00 0.00 O ATOM 1116 CB TYR A 99 2.638 7.617 6.191 1.00 0.00 C ATOM 1117 CG TYR A 99 1.360 8.382 6.526 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.337 8.573 5.570 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.226 8.972 7.798 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.775 9.382 5.859 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.094 9.752 8.106 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.908 9.966 7.133 1.00 0.00 C ATOM 1123 OH TYR A 99 -1.984 10.745 7.434 1.00 0.00 O ATOM 0 H TYR A 99 1.596 5.325 6.524 1.00 0.00 H new ATOM 0 HA TYR A 99 2.334 6.985 4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.013 7.161 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.389 8.335 5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.411 8.092 4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.996 8.826 8.541 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.527 9.556 5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.008 10.188 9.089 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.910 11.062 8.358 1.00 0.00 H new ATOM 1133 N SER A 100 3.669 4.365 4.830 1.00 0.00 N ATOM 1134 CA SER A 100 4.657 3.271 4.812 1.00 0.00 C ATOM 1135 C SER A 100 5.941 3.369 5.673 1.00 0.00 C ATOM 1136 O SER A 100 6.859 2.567 5.506 1.00 0.00 O ATOM 1137 CB SER A 100 4.867 2.783 3.374 1.00 0.00 C ATOM 1138 OG SER A 100 5.891 1.835 3.181 1.00 0.00 O ATOM 0 H SER A 100 2.727 3.977 4.770 1.00 0.00 H new ATOM 0 HA SER A 100 4.183 2.490 5.406 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.931 2.353 3.018 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.079 3.649 2.746 1.00 0.00 H new ATOM 0 HG SER A 100 6.498 1.848 3.950 1.00 0.00 H new