USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot -145:sc= 0.296 USER MOD Set 1.2: A 69 SER OG : rot -87:sc= 0.479 USER MOD Set 1.3: A 71 THR OG1 : rot 146:sc= 1.42 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.545 K(o=-0.55,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.64) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.0952) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 37 SER OG : rot 180:sc=-0.000818 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 148:sc= -3.79! (180deg=-6.22!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.35 K(o=-0.35,f=-2.2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.732 USER MOD Single : A 58 GLN : amide:sc= -2.75 K(o=-2.8,f=-0.88) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 166:sc= -3.77! (180deg=-4.52!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.672 -3.710 -18.557 1.00 0.00 N ATOM 47 CA ILE A 4 7.853 -4.544 -17.669 1.00 0.00 C ATOM 48 C ILE A 4 6.429 -3.989 -17.585 1.00 0.00 C ATOM 49 O ILE A 4 5.473 -4.736 -17.380 1.00 0.00 O ATOM 50 CB ILE A 4 8.456 -4.652 -16.251 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.228 -3.348 -15.453 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.956 -4.962 -16.341 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.229 -2.264 -15.869 1.00 0.00 C ATOM 0 HA ILE A 4 7.832 -5.546 -18.097 1.00 0.00 H new ATOM 0 HB ILE A 4 7.954 -5.464 -15.725 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.211 -2.991 -15.617 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.327 -3.549 -14.386 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.373 -5.036 -15.337 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.102 -5.907 -16.865 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.461 -4.164 -16.885 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.045 -1.358 -15.292 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.244 -2.614 -15.681 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.111 -2.048 -16.931 1.00 0.00 H new ATOM 65 N TYR A 5 6.302 -2.667 -17.763 1.00 0.00 N ATOM 66 CA TYR A 5 4.995 -2.011 -17.723 1.00 0.00 C ATOM 67 C TYR A 5 4.205 -2.331 -18.991 1.00 0.00 C ATOM 68 O TYR A 5 2.985 -2.493 -18.951 1.00 0.00 O ATOM 69 CB TYR A 5 5.158 -0.491 -17.611 1.00 0.00 C ATOM 70 CG TYR A 5 6.025 -0.163 -16.418 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.556 -0.415 -15.125 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.299 0.386 -16.607 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.359 -0.117 -14.019 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.103 0.684 -15.501 1.00 0.00 C ATOM 75 CZ TYR A 5 7.633 0.431 -14.206 1.00 0.00 C ATOM 76 OH TYR A 5 8.425 0.724 -13.115 1.00 0.00 O ATOM 0 H TYR A 5 7.085 -2.037 -17.935 1.00 0.00 H new ATOM 0 HA TYR A 5 4.458 -2.382 -16.850 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.609 -0.095 -18.521 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.182 -0.017 -17.506 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.574 -0.840 -14.980 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.661 0.579 -17.606 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.996 -0.310 -13.020 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.085 1.109 -15.646 1.00 0.00 H new ATOM 0 HH TYR A 5 9.278 1.097 -13.421 1.00 0.00 H new ATOM 86 N LYS A 6 4.923 -2.427 -20.114 1.00 0.00 N ATOM 87 CA LYS A 6 4.293 -2.741 -21.401 1.00 0.00 C ATOM 88 C LYS A 6 3.925 -4.221 -21.452 1.00 0.00 C ATOM 89 O LYS A 6 2.882 -4.600 -21.986 1.00 0.00 O ATOM 90 CB LYS A 6 5.238 -2.420 -22.569 1.00 0.00 C ATOM 91 CG LYS A 6 5.913 -1.059 -22.349 1.00 0.00 C ATOM 92 CD LYS A 6 4.866 -0.025 -21.919 1.00 0.00 C ATOM 93 CE LYS A 6 5.568 1.248 -21.433 1.00 0.00 C ATOM 94 NZ LYS A 6 4.656 2.416 -21.597 1.00 0.00 N ATOM 0 H LYS A 6 5.933 -2.293 -20.159 1.00 0.00 H new ATOM 0 HA LYS A 6 3.395 -2.130 -21.494 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.995 -3.199 -22.658 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.680 -2.410 -23.505 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.687 -1.145 -21.586 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.404 -0.734 -23.266 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.206 0.208 -22.755 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.242 -0.434 -21.124 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.854 1.141 -20.387 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.486 1.408 -21.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.134 3.279 -21.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.405 2.522 -22.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.792 2.263 -21.038 1.00 0.00 H new ATOM 108 N ALA A 7 4.793 -5.046 -20.871 1.00 0.00 N ATOM 109 CA ALA A 7 4.559 -6.489 -20.827 1.00 0.00 C ATOM 110 C ALA A 7 3.459 -6.821 -19.812 1.00 0.00 C ATOM 111 O ALA A 7 2.727 -7.798 -19.974 1.00 0.00 O ATOM 112 CB ALA A 7 5.841 -7.227 -20.433 1.00 0.00 C ATOM 0 H ALA A 7 5.660 -4.744 -20.426 1.00 0.00 H new ATOM 0 HA ALA A 7 4.246 -6.811 -21.820 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.649 -8.300 -20.405 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.621 -7.017 -21.164 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.166 -6.891 -19.449 1.00 0.00 H new ATOM 118 N ALA A 8 3.351 -5.992 -18.763 1.00 0.00 N ATOM 119 CA ALA A 8 2.341 -6.203 -17.727 1.00 0.00 C ATOM 120 C ALA A 8 0.984 -5.625 -18.140 1.00 0.00 C ATOM 121 O ALA A 8 -0.059 -6.129 -17.724 1.00 0.00 O ATOM 122 CB ALA A 8 2.780 -5.551 -16.416 1.00 0.00 C ATOM 0 H ALA A 8 3.947 -5.178 -18.614 1.00 0.00 H new ATOM 0 HA ALA A 8 2.237 -7.279 -17.590 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.018 -5.716 -15.654 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.722 -5.991 -16.088 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.913 -4.480 -16.569 1.00 0.00 H new ATOM 128 N VAL A 9 1.002 -4.563 -18.962 1.00 0.00 N ATOM 129 CA VAL A 9 -0.248 -3.937 -19.415 1.00 0.00 C ATOM 130 C VAL A 9 -1.117 -4.936 -20.195 1.00 0.00 C ATOM 131 O VAL A 9 -2.343 -4.824 -20.207 1.00 0.00 O ATOM 132 CB VAL A 9 0.042 -2.699 -20.287 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.320 -3.111 -21.738 1.00 0.00 C ATOM 134 CG2 VAL A 9 -1.166 -1.760 -20.251 1.00 0.00 C ATOM 0 H VAL A 9 1.852 -4.127 -19.320 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.797 -3.620 -18.528 1.00 0.00 H new ATOM 0 HB VAL A 9 0.923 -2.192 -19.892 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.522 -2.222 -22.336 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.185 -3.774 -21.769 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.549 -3.630 -22.142 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.964 -0.884 -20.867 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.043 -2.280 -20.637 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.353 -1.447 -19.224 1.00 0.00 H new ATOM 144 N GLU A 10 -0.468 -5.916 -20.832 1.00 0.00 N ATOM 145 CA GLU A 10 -1.191 -6.936 -21.597 1.00 0.00 C ATOM 146 C GLU A 10 -1.800 -7.990 -20.664 1.00 0.00 C ATOM 147 O GLU A 10 -2.748 -8.683 -21.035 1.00 0.00 O ATOM 148 CB GLU A 10 -0.249 -7.636 -22.581 1.00 0.00 C ATOM 149 CG GLU A 10 0.198 -6.647 -23.662 1.00 0.00 C ATOM 150 CD GLU A 10 1.413 -7.210 -24.394 1.00 0.00 C ATOM 151 OE1 GLU A 10 1.219 -7.911 -25.374 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.522 -6.931 -23.963 1.00 0.00 O ATOM 0 H GLU A 10 0.546 -6.024 -20.834 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.989 -6.433 -22.144 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.620 -8.028 -22.052 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.753 -8.487 -23.039 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.615 -6.470 -24.366 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.445 -5.686 -23.211 1.00 0.00 H new ATOM 159 N GLN A 11 -1.245 -8.102 -19.449 1.00 0.00 N ATOM 160 CA GLN A 11 -1.737 -9.076 -18.470 1.00 0.00 C ATOM 161 C GLN A 11 -2.993 -8.555 -17.774 1.00 0.00 C ATOM 162 O GLN A 11 -3.977 -9.283 -17.623 1.00 0.00 O ATOM 163 CB GLN A 11 -0.670 -9.370 -17.409 1.00 0.00 C ATOM 164 CG GLN A 11 0.629 -9.818 -18.088 1.00 0.00 C ATOM 165 CD GLN A 11 1.613 -10.317 -17.034 1.00 0.00 C ATOM 166 OE1 GLN A 11 1.949 -11.501 -17.002 1.00 0.00 O ATOM 167 NE2 GLN A 11 2.099 -9.479 -16.157 1.00 0.00 N ATOM 0 H GLN A 11 -0.462 -7.535 -19.124 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.973 -9.993 -19.011 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.488 -8.480 -16.807 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.023 -10.147 -16.731 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.420 -10.609 -18.808 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.066 -8.988 -18.643 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.822 -8.498 -16.181 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.755 -9.806 -15.448 1.00 0.00 H new ATOM 176 N LEU A 12 -2.951 -7.289 -17.357 1.00 0.00 N ATOM 177 CA LEU A 12 -4.097 -6.677 -16.680 1.00 0.00 C ATOM 178 C LEU A 12 -4.992 -5.953 -17.689 1.00 0.00 C ATOM 179 O LEU A 12 -4.602 -5.726 -18.837 1.00 0.00 O ATOM 180 CB LEU A 12 -3.646 -5.685 -15.592 1.00 0.00 C ATOM 181 CG LEU A 12 -2.398 -4.850 -15.905 1.00 0.00 C ATOM 182 CD1 LEU A 12 -2.704 -3.863 -17.031 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.976 -4.077 -14.653 1.00 0.00 C ATOM 0 H LEU A 12 -2.147 -6.673 -17.474 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.660 -7.480 -16.204 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.471 -5.003 -15.389 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.462 -6.244 -14.675 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.591 -5.513 -16.217 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.814 -3.273 -17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.004 -4.411 -17.924 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.513 -3.200 -16.724 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.089 -3.483 -14.874 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.786 -3.417 -14.342 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.752 -4.779 -13.850 1.00 0.00 H new ATOM 195 N THR A 13 -6.200 -5.602 -17.247 1.00 0.00 N ATOM 196 CA THR A 13 -7.159 -4.911 -18.113 1.00 0.00 C ATOM 197 C THR A 13 -7.541 -3.555 -17.527 1.00 0.00 C ATOM 198 O THR A 13 -7.158 -3.213 -16.406 1.00 0.00 O ATOM 199 CB THR A 13 -8.440 -5.745 -18.286 1.00 0.00 C ATOM 200 OG1 THR A 13 -8.628 -6.586 -17.154 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.330 -6.601 -19.546 1.00 0.00 C ATOM 0 H THR A 13 -6.537 -5.783 -16.301 1.00 0.00 H new ATOM 0 HA THR A 13 -6.678 -4.771 -19.081 1.00 0.00 H new ATOM 0 HB THR A 13 -9.293 -5.072 -18.378 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.446 -7.113 -17.270 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.239 -7.191 -19.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.199 -5.955 -20.414 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.473 -7.269 -19.458 1.00 0.00 H new ATOM 209 N ASP A 14 -8.323 -2.796 -18.300 1.00 0.00 N ATOM 210 CA ASP A 14 -8.788 -1.484 -17.855 1.00 0.00 C ATOM 211 C ASP A 14 -9.641 -1.633 -16.593 1.00 0.00 C ATOM 212 O ASP A 14 -9.664 -0.745 -15.741 1.00 0.00 O ATOM 213 CB ASP A 14 -9.625 -0.813 -18.948 1.00 0.00 C ATOM 214 CG ASP A 14 -9.681 0.693 -18.705 1.00 0.00 C ATOM 215 OD1 ASP A 14 -8.712 1.364 -19.023 1.00 0.00 O ATOM 216 OD2 ASP A 14 -10.695 1.153 -18.204 1.00 0.00 O ATOM 0 H ASP A 14 -8.644 -3.067 -19.230 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.916 -0.866 -17.640 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.192 -1.017 -19.927 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.633 -1.228 -18.953 1.00 0.00 H new ATOM 221 N GLU A 15 -10.329 -2.779 -16.484 1.00 0.00 N ATOM 222 CA GLU A 15 -11.173 -3.059 -15.317 1.00 0.00 C ATOM 223 C GLU A 15 -10.342 -2.998 -14.035 1.00 0.00 C ATOM 224 O GLU A 15 -10.767 -2.416 -13.038 1.00 0.00 O ATOM 225 CB GLU A 15 -11.809 -4.448 -15.431 1.00 0.00 C ATOM 226 CG GLU A 15 -13.034 -4.378 -16.350 1.00 0.00 C ATOM 227 CD GLU A 15 -13.295 -5.754 -16.954 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.703 -6.053 -17.979 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.084 -6.490 -16.384 1.00 0.00 O ATOM 0 H GLU A 15 -10.317 -3.520 -17.184 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.959 -2.304 -15.282 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.085 -5.160 -15.827 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.102 -4.807 -14.444 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.906 -4.045 -15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.867 -3.647 -17.141 1.00 0.00 H new ATOM 236 N GLN A 16 -9.143 -3.595 -14.080 1.00 0.00 N ATOM 237 CA GLN A 16 -8.245 -3.592 -12.921 1.00 0.00 C ATOM 238 C GLN A 16 -7.899 -2.157 -12.527 1.00 0.00 C ATOM 239 O GLN A 16 -7.929 -1.802 -11.348 1.00 0.00 O ATOM 240 CB GLN A 16 -6.953 -4.354 -13.233 1.00 0.00 C ATOM 241 CG GLN A 16 -7.115 -5.822 -12.829 1.00 0.00 C ATOM 242 CD GLN A 16 -5.820 -6.577 -13.108 1.00 0.00 C ATOM 243 OE1 GLN A 16 -5.772 -7.428 -13.997 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.754 -6.317 -12.397 1.00 0.00 N ATOM 0 H GLN A 16 -8.777 -4.081 -14.899 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.758 -4.085 -12.095 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.723 -4.282 -14.296 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.116 -3.908 -12.695 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.368 -5.892 -11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.937 -6.273 -13.384 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.792 -5.613 -11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.885 -6.819 -12.579 1.00 0.00 H new ATOM 253 N LYS A 17 -7.595 -1.330 -13.535 1.00 0.00 N ATOM 254 CA LYS A 17 -7.272 0.078 -13.288 1.00 0.00 C ATOM 255 C LYS A 17 -8.500 0.805 -12.736 1.00 0.00 C ATOM 256 O LYS A 17 -8.379 1.699 -11.899 1.00 0.00 O ATOM 257 CB LYS A 17 -6.814 0.767 -14.578 1.00 0.00 C ATOM 258 CG LYS A 17 -5.290 0.680 -14.689 1.00 0.00 C ATOM 259 CD LYS A 17 -4.907 -0.439 -15.665 1.00 0.00 C ATOM 260 CE LYS A 17 -4.633 0.158 -17.048 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.864 -0.880 -18.094 1.00 0.00 N ATOM 0 H LYS A 17 -7.566 -1.608 -14.516 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.461 0.118 -12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.280 0.292 -15.442 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.130 1.810 -14.578 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.886 1.631 -15.035 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.855 0.486 -13.709 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.023 -0.965 -15.303 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.711 -1.172 -15.727 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.284 1.015 -17.221 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.607 0.521 -17.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.093 -0.848 -18.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.890 -1.820 -17.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.770 -0.697 -18.571 1.00 0.00 H new ATOM 275 N ASN A 18 -9.686 0.391 -13.205 1.00 0.00 N ATOM 276 CA ASN A 18 -10.942 0.984 -12.743 1.00 0.00 C ATOM 277 C ASN A 18 -11.124 0.705 -11.250 1.00 0.00 C ATOM 278 O ASN A 18 -11.488 1.596 -10.481 1.00 0.00 O ATOM 279 CB ASN A 18 -12.130 0.402 -13.519 1.00 0.00 C ATOM 280 CG ASN A 18 -12.648 1.438 -14.513 1.00 0.00 C ATOM 281 OD1 ASN A 18 -13.746 1.969 -14.350 1.00 0.00 O ATOM 282 ND2 ASN A 18 -11.914 1.763 -15.544 1.00 0.00 N ATOM 0 H ASN A 18 -9.798 -0.348 -13.899 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.902 2.060 -12.915 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -11.825 -0.502 -14.046 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.924 0.117 -12.829 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.251 2.456 -16.212 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.004 1.324 -15.681 1.00 0.00 H new ATOM 289 N GLU A 19 -10.839 -0.542 -10.847 1.00 0.00 N ATOM 290 CA GLU A 19 -10.944 -0.932 -9.438 1.00 0.00 C ATOM 291 C GLU A 19 -9.920 -0.152 -8.620 1.00 0.00 C ATOM 292 O GLU A 19 -10.218 0.338 -7.532 1.00 0.00 O ATOM 293 CB GLU A 19 -10.675 -2.430 -9.256 1.00 0.00 C ATOM 294 CG GLU A 19 -11.683 -3.240 -10.072 1.00 0.00 C ATOM 295 CD GLU A 19 -11.694 -4.685 -9.583 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.464 -4.979 -8.683 1.00 0.00 O ATOM 297 OE2 GLU A 19 -10.933 -5.476 -10.114 1.00 0.00 O ATOM 0 H GLU A 19 -10.537 -1.290 -11.472 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.957 -0.712 -9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.660 -2.668 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.749 -2.697 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.678 -2.805 -9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.422 -3.205 -11.130 1.00 0.00 H new ATOM 304 N PHE A 20 -8.708 -0.043 -9.176 1.00 0.00 N ATOM 305 CA PHE A 20 -7.621 0.688 -8.520 1.00 0.00 C ATOM 306 C PHE A 20 -8.013 2.150 -8.303 1.00 0.00 C ATOM 307 O PHE A 20 -7.743 2.723 -7.248 1.00 0.00 O ATOM 308 CB PHE A 20 -6.348 0.635 -9.376 1.00 0.00 C ATOM 309 CG PHE A 20 -5.563 -0.628 -9.083 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.201 -1.762 -8.561 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.189 -0.657 -9.344 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.463 -2.920 -8.300 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.452 -1.816 -9.083 1.00 0.00 C ATOM 314 CZ PHE A 20 -4.088 -2.948 -8.561 1.00 0.00 C ATOM 0 H PHE A 20 -8.457 -0.451 -10.076 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.432 0.216 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.612 0.669 -10.433 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.730 1.510 -9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.262 -1.741 -8.361 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.697 0.216 -9.747 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.954 -3.793 -7.897 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.391 -1.838 -9.284 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.518 -3.843 -8.360 1.00 0.00 H new ATOM 324 N LYS A 21 -8.659 2.741 -9.316 1.00 0.00 N ATOM 325 CA LYS A 21 -9.096 4.136 -9.235 1.00 0.00 C ATOM 326 C LYS A 21 -10.140 4.303 -8.132 1.00 0.00 C ATOM 327 O LYS A 21 -10.045 5.216 -7.312 1.00 0.00 O ATOM 328 CB LYS A 21 -9.693 4.595 -10.572 1.00 0.00 C ATOM 329 CG LYS A 21 -9.937 6.109 -10.542 1.00 0.00 C ATOM 330 CD LYS A 21 -8.622 6.841 -10.259 1.00 0.00 C ATOM 331 CE LYS A 21 -8.781 8.328 -10.582 1.00 0.00 C ATOM 332 NZ LYS A 21 -7.898 9.132 -9.690 1.00 0.00 N ATOM 0 H LYS A 21 -8.888 2.277 -10.195 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.225 4.749 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.016 4.343 -11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.630 4.071 -10.761 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.350 6.439 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.672 6.353 -9.775 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.341 6.714 -9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.819 6.412 -10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.526 8.513 -11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.820 8.630 -10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.008 10.142 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.162 8.964 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.908 8.851 -9.837 1.00 0.00 H new ATOM 346 N ALA A 22 -11.130 3.405 -8.116 1.00 0.00 N ATOM 347 CA ALA A 22 -12.183 3.455 -7.097 1.00 0.00 C ATOM 348 C ALA A 22 -11.586 3.220 -5.710 1.00 0.00 C ATOM 349 O ALA A 22 -11.893 3.941 -4.762 1.00 0.00 O ATOM 350 CB ALA A 22 -13.252 2.396 -7.371 1.00 0.00 C ATOM 0 H ALA A 22 -11.224 2.644 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.643 4.443 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.024 2.451 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.700 2.575 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.796 1.406 -7.357 1.00 0.00 H new ATOM 356 N ALA A 23 -10.712 2.208 -5.616 1.00 0.00 N ATOM 357 CA ALA A 23 -10.046 1.880 -4.351 1.00 0.00 C ATOM 358 C ALA A 23 -9.198 3.061 -3.867 1.00 0.00 C ATOM 359 O ALA A 23 -8.983 3.237 -2.667 1.00 0.00 O ATOM 360 CB ALA A 23 -9.139 0.656 -4.524 1.00 0.00 C ATOM 0 H ALA A 23 -10.452 1.606 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.818 1.661 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.653 0.427 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.737 -0.198 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.381 0.868 -5.278 1.00 0.00 H new ATOM 366 N PHE A 24 -8.725 3.871 -4.820 1.00 0.00 N ATOM 367 CA PHE A 24 -7.911 5.038 -4.497 1.00 0.00 C ATOM 368 C PHE A 24 -8.806 6.194 -4.044 1.00 0.00 C ATOM 369 O PHE A 24 -8.640 6.726 -2.949 1.00 0.00 O ATOM 370 CB PHE A 24 -7.103 5.475 -5.729 1.00 0.00 C ATOM 371 CG PHE A 24 -5.859 6.223 -5.307 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.672 5.524 -5.057 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.890 7.618 -5.174 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.517 6.218 -4.675 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.735 8.311 -4.791 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.549 7.611 -4.542 1.00 0.00 C ATOM 0 H PHE A 24 -8.893 3.737 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.227 4.772 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.827 4.601 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.717 6.110 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.647 4.449 -5.159 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.805 8.159 -5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.601 5.678 -4.483 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.759 9.386 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.658 8.146 -4.247 1.00 0.00 H new ATOM 386 N ASP A 25 -9.753 6.571 -4.913 1.00 0.00 N ATOM 387 CA ASP A 25 -10.679 7.678 -4.632 1.00 0.00 C ATOM 388 C ASP A 25 -11.364 7.544 -3.267 1.00 0.00 C ATOM 389 O ASP A 25 -11.495 8.531 -2.541 1.00 0.00 O ATOM 390 CB ASP A 25 -11.755 7.759 -5.718 1.00 0.00 C ATOM 391 CG ASP A 25 -11.242 8.606 -6.881 1.00 0.00 C ATOM 392 OD1 ASP A 25 -10.637 8.041 -7.779 1.00 0.00 O ATOM 393 OD2 ASP A 25 -11.462 9.805 -6.856 1.00 0.00 O ATOM 0 H ASP A 25 -9.899 6.125 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.078 8.588 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.010 6.759 -6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.666 8.196 -5.310 1.00 0.00 H new ATOM 398 N ILE A 26 -11.807 6.328 -2.923 1.00 0.00 N ATOM 399 CA ILE A 26 -12.484 6.111 -1.635 1.00 0.00 C ATOM 400 C ILE A 26 -11.581 6.515 -0.462 1.00 0.00 C ATOM 401 O ILE A 26 -12.057 7.030 0.550 1.00 0.00 O ATOM 402 CB ILE A 26 -12.907 4.644 -1.471 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.687 3.728 -1.640 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.965 4.300 -2.525 1.00 0.00 C ATOM 405 CD1 ILE A 26 -12.100 2.268 -1.448 1.00 0.00 C ATOM 0 H ILE A 26 -11.713 5.495 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.375 6.739 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.325 4.496 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.253 3.865 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.918 3.995 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -14.267 3.259 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.833 4.946 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.548 4.450 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.229 1.624 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.513 2.135 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.853 2.002 -2.190 1.00 0.00 H new ATOM 417 N PHE A 27 -10.273 6.283 -0.618 1.00 0.00 N ATOM 418 CA PHE A 27 -9.307 6.633 0.427 1.00 0.00 C ATOM 419 C PHE A 27 -8.903 8.111 0.330 1.00 0.00 C ATOM 420 O PHE A 27 -8.527 8.724 1.330 1.00 0.00 O ATOM 421 CB PHE A 27 -8.049 5.767 0.308 1.00 0.00 C ATOM 422 CG PHE A 27 -8.206 4.523 1.152 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.897 3.415 0.646 1.00 0.00 C ATOM 424 CD2 PHE A 27 -7.660 4.477 2.441 1.00 0.00 C ATOM 425 CE1 PHE A 27 -9.042 2.263 1.427 1.00 0.00 C ATOM 426 CE2 PHE A 27 -7.805 3.325 3.222 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.497 2.217 2.715 1.00 0.00 C ATOM 0 H PHE A 27 -9.863 5.858 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.786 6.454 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.882 5.493 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.175 6.331 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.318 3.450 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.127 5.331 2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.575 1.409 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.383 3.290 4.216 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.610 1.328 3.318 1.00 0.00 H new ATOM 437 N ILE A 28 -8.977 8.673 -0.886 1.00 0.00 N ATOM 438 CA ILE A 28 -8.608 10.079 -1.104 1.00 0.00 C ATOM 439 C ILE A 28 -9.829 11.002 -0.961 1.00 0.00 C ATOM 440 O ILE A 28 -9.912 12.051 -1.606 1.00 0.00 O ATOM 441 CB ILE A 28 -7.986 10.259 -2.505 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.917 9.189 -2.765 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.326 11.633 -2.626 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.140 8.873 -1.482 1.00 0.00 C ATOM 0 H ILE A 28 -9.286 8.181 -1.725 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.876 10.352 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.790 10.165 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.388 8.282 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.229 9.536 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.893 11.742 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.073 12.411 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.541 11.727 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.388 8.112 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.651 9.778 -1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.828 8.504 -0.721 1.00 0.00 H new ATOM 456 N GLN A 29 -10.769 10.617 -0.089 1.00 0.00 N ATOM 457 CA GLN A 29 -11.964 11.436 0.144 1.00 0.00 C ATOM 458 C GLN A 29 -11.585 12.711 0.906 1.00 0.00 C ATOM 459 O GLN A 29 -12.190 13.767 0.712 1.00 0.00 O ATOM 460 CB GLN A 29 -13.028 10.660 0.938 1.00 0.00 C ATOM 461 CG GLN A 29 -12.411 10.043 2.199 1.00 0.00 C ATOM 462 CD GLN A 29 -13.520 9.602 3.150 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.305 10.423 3.626 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.633 8.338 3.463 1.00 0.00 N ATOM 0 H GLN A 29 -10.727 9.758 0.459 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.384 11.698 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.844 11.328 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.456 9.876 0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.788 9.190 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.763 10.769 2.691 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.985 7.655 3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.370 8.034 4.100 1.00 0.00 H new ATOM 473 N ASP A 30 -10.561 12.598 1.761 1.00 0.00 N ATOM 474 CA ASP A 30 -10.080 13.742 2.541 1.00 0.00 C ATOM 475 C ASP A 30 -8.567 13.627 2.762 1.00 0.00 C ATOM 476 O ASP A 30 -8.058 13.884 3.857 1.00 0.00 O ATOM 477 CB ASP A 30 -10.794 13.831 3.900 1.00 0.00 C ATOM 478 CG ASP A 30 -10.987 12.436 4.503 1.00 0.00 C ATOM 479 OD1 ASP A 30 -9.994 11.765 4.742 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.127 12.065 4.724 1.00 0.00 O ATOM 0 H ASP A 30 -10.053 11.730 1.929 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.301 14.649 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.212 14.450 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.762 14.316 3.777 1.00 0.00 H new ATOM 485 N ALA A 31 -7.856 13.233 1.701 1.00 0.00 N ATOM 486 CA ALA A 31 -6.402 13.077 1.769 1.00 0.00 C ATOM 487 C ALA A 31 -5.714 14.436 1.907 1.00 0.00 C ATOM 488 O ALA A 31 -6.307 15.482 1.632 1.00 0.00 O ATOM 489 CB ALA A 31 -5.882 12.382 0.509 1.00 0.00 C ATOM 0 H ALA A 31 -8.262 13.018 0.790 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.173 12.470 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.799 12.273 0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.341 11.397 0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.134 12.980 -0.367 1.00 0.00 H new ATOM 495 N GLU A 32 -4.451 14.402 2.339 1.00 0.00 N ATOM 496 CA GLU A 32 -3.673 15.631 2.516 1.00 0.00 C ATOM 497 C GLU A 32 -3.106 16.109 1.181 1.00 0.00 C ATOM 498 O GLU A 32 -3.199 17.291 0.843 1.00 0.00 O ATOM 499 CB GLU A 32 -2.514 15.405 3.492 1.00 0.00 C ATOM 500 CG GLU A 32 -3.060 15.193 4.908 1.00 0.00 C ATOM 501 CD GLU A 32 -2.015 14.475 5.756 1.00 0.00 C ATOM 502 OE1 GLU A 32 -1.931 13.262 5.658 1.00 0.00 O ATOM 503 OE2 GLU A 32 -1.312 15.150 6.493 1.00 0.00 O ATOM 0 H GLU A 32 -3.949 13.545 2.571 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.345 16.389 2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.931 14.537 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.841 16.263 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.312 16.153 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.978 14.607 4.871 1.00 0.00 H new ATOM 510 N ASP A 33 -2.510 15.180 0.428 1.00 0.00 N ATOM 511 CA ASP A 33 -1.918 15.518 -0.871 1.00 0.00 C ATOM 512 C ASP A 33 -2.512 14.661 -2.000 1.00 0.00 C ATOM 513 O ASP A 33 -1.867 14.440 -3.027 1.00 0.00 O ATOM 514 CB ASP A 33 -0.399 15.309 -0.824 1.00 0.00 C ATOM 515 CG ASP A 33 0.240 16.370 0.068 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.245 16.180 1.274 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.717 17.357 -0.469 1.00 0.00 O ATOM 0 H ASP A 33 -2.425 14.198 0.691 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.145 16.564 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.171 14.314 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.017 15.367 -1.830 1.00 0.00 H new ATOM 522 N GLY A 34 -3.751 14.191 -1.807 1.00 0.00 N ATOM 523 CA GLY A 34 -4.420 13.369 -2.820 1.00 0.00 C ATOM 524 C GLY A 34 -3.739 12.010 -2.978 1.00 0.00 C ATOM 525 O GLY A 34 -3.512 11.544 -4.096 1.00 0.00 O ATOM 0 H GLY A 34 -4.304 14.364 -0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.464 13.224 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.415 13.893 -3.776 1.00 0.00 H new ATOM 529 N CYS A 35 -3.420 11.377 -1.845 1.00 0.00 N ATOM 530 CA CYS A 35 -2.765 10.065 -1.862 1.00 0.00 C ATOM 531 C CYS A 35 -3.051 9.306 -0.569 1.00 0.00 C ATOM 532 O CYS A 35 -3.577 9.868 0.396 1.00 0.00 O ATOM 533 CB CYS A 35 -1.245 10.204 -2.028 1.00 0.00 C ATOM 534 SG CYS A 35 -0.697 11.833 -1.457 1.00 0.00 S ATOM 0 H CYS A 35 -3.602 11.747 -0.912 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.168 9.513 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.738 9.423 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.973 10.067 -3.075 1.00 0.00 H new ATOM 0 HG CYS A 35 0.289 12.244 -2.198 1.00 0.00 H new ATOM 540 N ILE A 36 -2.690 8.022 -0.557 1.00 0.00 N ATOM 541 CA ILE A 36 -2.907 7.186 0.627 1.00 0.00 C ATOM 542 C ILE A 36 -1.603 7.033 1.416 1.00 0.00 C ATOM 543 O ILE A 36 -0.552 7.520 0.999 1.00 0.00 O ATOM 544 CB ILE A 36 -3.438 5.797 0.237 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.470 5.110 -0.731 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.808 5.941 -0.431 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.824 3.913 -0.036 1.00 0.00 C ATOM 0 H ILE A 36 -2.251 7.542 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.653 7.680 1.250 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.529 5.190 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.002 4.783 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.703 5.813 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.184 4.956 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.503 6.413 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.714 6.557 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.134 3.422 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.278 4.254 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.597 3.208 0.268 1.00 0.00 H new ATOM 559 N SER A 37 -1.686 6.355 2.562 1.00 0.00 N ATOM 560 CA SER A 37 -0.512 6.144 3.406 1.00 0.00 C ATOM 561 C SER A 37 0.143 4.801 3.089 1.00 0.00 C ATOM 562 O SER A 37 -0.522 3.854 2.664 1.00 0.00 O ATOM 563 CB SER A 37 -0.903 6.174 4.886 1.00 0.00 C ATOM 564 OG SER A 37 0.267 6.337 5.680 1.00 0.00 O ATOM 0 H SER A 37 -2.548 5.946 2.924 1.00 0.00 H new ATOM 0 HA SER A 37 0.196 6.947 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.600 6.991 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.414 5.250 5.157 1.00 0.00 H new ATOM 0 HG SER A 37 0.019 6.358 6.628 1.00 0.00 H new ATOM 570 N THR A 38 1.454 4.731 3.316 1.00 0.00 N ATOM 571 CA THR A 38 2.206 3.495 3.067 1.00 0.00 C ATOM 572 C THR A 38 1.663 2.358 3.939 1.00 0.00 C ATOM 573 O THR A 38 1.485 1.233 3.471 1.00 0.00 O ATOM 574 CB THR A 38 3.700 3.686 3.366 1.00 0.00 C ATOM 575 OG1 THR A 38 3.865 4.174 4.691 1.00 0.00 O ATOM 576 CG2 THR A 38 4.304 4.686 2.378 1.00 0.00 C ATOM 0 H THR A 38 2.016 5.506 3.669 1.00 0.00 H new ATOM 0 HA THR A 38 2.086 3.242 2.014 1.00 0.00 H new ATOM 0 HB THR A 38 4.208 2.727 3.265 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.819 4.293 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.364 4.817 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.186 4.310 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.793 5.644 2.472 1.00 0.00 H new ATOM 584 N LYS A 39 1.392 2.674 5.210 1.00 0.00 N ATOM 585 CA LYS A 39 0.856 1.683 6.148 1.00 0.00 C ATOM 586 C LYS A 39 -0.601 1.334 5.811 1.00 0.00 C ATOM 587 O LYS A 39 -1.084 0.253 6.154 1.00 0.00 O ATOM 588 CB LYS A 39 0.931 2.212 7.588 1.00 0.00 C ATOM 589 CG LYS A 39 -0.031 3.393 7.768 1.00 0.00 C ATOM 590 CD LYS A 39 0.158 4.004 9.159 1.00 0.00 C ATOM 591 CE LYS A 39 -0.718 3.261 10.171 1.00 0.00 C ATOM 592 NZ LYS A 39 -0.760 4.025 11.452 1.00 0.00 N ATOM 0 H LYS A 39 1.534 3.601 5.610 1.00 0.00 H new ATOM 0 HA LYS A 39 1.463 0.782 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.678 1.417 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.950 2.525 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.154 4.145 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.061 3.058 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.205 3.942 9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.106 5.061 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.726 3.140 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.322 2.261 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.355 3.519 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.204 4.119 11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.157 4.970 11.279 1.00 0.00 H new ATOM 606 N GLU A 40 -1.295 2.260 5.132 1.00 0.00 N ATOM 607 CA GLU A 40 -2.695 2.040 4.751 1.00 0.00 C ATOM 608 C GLU A 40 -2.813 1.151 3.503 1.00 0.00 C ATOM 609 O GLU A 40 -3.922 0.854 3.053 1.00 0.00 O ATOM 610 CB GLU A 40 -3.385 3.380 4.470 1.00 0.00 C ATOM 611 CG GLU A 40 -3.745 4.062 5.794 1.00 0.00 C ATOM 612 CD GLU A 40 -5.121 3.592 6.257 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.196 2.526 6.846 1.00 0.00 O ATOM 614 OE2 GLU A 40 -6.081 4.307 6.016 1.00 0.00 O ATOM 0 H GLU A 40 -0.913 3.159 4.839 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.180 1.534 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.727 4.023 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.285 3.219 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.996 3.827 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.743 5.145 5.669 1.00 0.00 H new ATOM 621 N LEU A 41 -1.667 0.723 2.949 1.00 0.00 N ATOM 622 CA LEU A 41 -1.671 -0.132 1.761 1.00 0.00 C ATOM 623 C LEU A 41 -2.359 -1.469 2.057 1.00 0.00 C ATOM 624 O LEU A 41 -3.128 -1.974 1.243 1.00 0.00 O ATOM 625 CB LEU A 41 -0.239 -0.394 1.284 1.00 0.00 C ATOM 626 CG LEU A 41 -0.073 -0.568 -0.228 1.00 0.00 C ATOM 627 CD1 LEU A 41 -0.835 -1.811 -0.691 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.622 0.667 -0.950 1.00 0.00 C ATOM 0 H LEU A 41 -0.739 0.954 3.303 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.223 0.387 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.391 0.434 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.133 -1.291 1.779 1.00 0.00 H new ATOM 0 HG LEU A 41 0.985 -0.685 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.715 -1.932 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.441 -2.690 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.893 -1.698 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.503 0.542 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.679 0.787 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.075 1.552 -0.625 1.00 0.00 H new ATOM 640 N GLY A 42 -2.080 -2.032 3.234 1.00 0.00 N ATOM 641 CA GLY A 42 -2.690 -3.307 3.625 1.00 0.00 C ATOM 642 C GLY A 42 -4.222 -3.212 3.666 1.00 0.00 C ATOM 643 O GLY A 42 -4.916 -4.224 3.547 1.00 0.00 O ATOM 0 H GLY A 42 -1.445 -1.633 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.392 -4.084 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.317 -3.604 4.605 1.00 0.00 H new ATOM 647 N LYS A 43 -4.741 -1.987 3.837 1.00 0.00 N ATOM 648 CA LYS A 43 -6.187 -1.769 3.897 1.00 0.00 C ATOM 649 C LYS A 43 -6.806 -1.766 2.498 1.00 0.00 C ATOM 650 O LYS A 43 -7.847 -2.384 2.269 1.00 0.00 O ATOM 651 CB LYS A 43 -6.485 -0.427 4.571 1.00 0.00 C ATOM 652 CG LYS A 43 -7.834 -0.501 5.287 1.00 0.00 C ATOM 653 CD LYS A 43 -7.747 0.257 6.613 1.00 0.00 C ATOM 654 CE LYS A 43 -8.301 1.674 6.435 1.00 0.00 C ATOM 655 NZ LYS A 43 -8.376 2.353 7.760 1.00 0.00 N ATOM 0 H LYS A 43 -4.182 -1.140 3.935 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.622 -2.585 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.697 -0.183 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.500 0.370 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.615 -0.071 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.106 -1.541 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.311 -0.270 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.712 0.301 6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.662 2.243 5.760 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.290 1.634 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.752 3.315 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.003 1.814 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.425 2.404 8.178 1.00 0.00 H new ATOM 669 N VAL A 44 -6.157 -1.057 1.567 1.00 0.00 N ATOM 670 CA VAL A 44 -6.659 -0.974 0.190 1.00 0.00 C ATOM 671 C VAL A 44 -6.613 -2.344 -0.490 1.00 0.00 C ATOM 672 O VAL A 44 -7.505 -2.686 -1.268 1.00 0.00 O ATOM 673 CB VAL A 44 -5.855 0.044 -0.637 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.150 1.457 -0.130 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.354 -0.232 -0.513 1.00 0.00 C ATOM 0 H VAL A 44 -5.295 -0.539 1.738 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.695 -0.638 0.241 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.147 -0.046 -1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.581 2.180 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.215 1.665 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.864 1.534 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.800 0.497 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.055 -0.154 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.137 -1.236 -0.879 1.00 0.00 H new ATOM 685 N MET A 45 -5.576 -3.131 -0.177 1.00 0.00 N ATOM 686 CA MET A 45 -5.442 -4.472 -0.753 1.00 0.00 C ATOM 687 C MET A 45 -6.628 -5.345 -0.346 1.00 0.00 C ATOM 688 O MET A 45 -7.100 -6.168 -1.129 1.00 0.00 O ATOM 689 CB MET A 45 -4.146 -5.159 -0.291 1.00 0.00 C ATOM 690 CG MET A 45 -2.937 -4.255 -0.557 1.00 0.00 C ATOM 691 SD MET A 45 -2.190 -4.696 -2.144 1.00 0.00 S ATOM 692 CE MET A 45 -3.544 -4.098 -3.179 1.00 0.00 C ATOM 0 H MET A 45 -4.828 -2.866 0.463 1.00 0.00 H new ATOM 0 HA MET A 45 -5.414 -4.356 -1.836 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.208 -5.390 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.022 -6.106 -0.816 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.246 -3.210 -0.567 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.205 -4.363 0.244 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.145 -3.734 -4.126 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.243 -4.912 -3.369 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.062 -3.287 -2.668 1.00 0.00 H new ATOM 702 N ARG A 46 -7.107 -5.147 0.889 1.00 0.00 N ATOM 703 CA ARG A 46 -8.250 -5.915 1.398 1.00 0.00 C ATOM 704 C ARG A 46 -9.496 -5.650 0.552 1.00 0.00 C ATOM 705 O ARG A 46 -10.271 -6.566 0.267 1.00 0.00 O ATOM 706 CB ARG A 46 -8.547 -5.547 2.855 1.00 0.00 C ATOM 707 CG ARG A 46 -7.950 -6.608 3.783 1.00 0.00 C ATOM 708 CD ARG A 46 -7.982 -6.102 5.228 1.00 0.00 C ATOM 709 NE ARG A 46 -6.797 -5.294 5.524 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.564 -4.808 6.752 1.00 0.00 C ATOM 711 NH1 ARG A 46 -7.401 -5.043 7.736 1.00 0.00 N ATOM 712 NH2 ARG A 46 -5.491 -4.091 6.971 1.00 0.00 N ATOM 0 H ARG A 46 -6.725 -4.469 1.548 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.990 -6.972 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.127 -4.568 3.087 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.623 -5.477 3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.514 -7.537 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.925 -6.829 3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.882 -5.508 5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.031 -6.948 5.913 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.132 -5.096 4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.239 -5.601 7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.213 -4.668 8.666 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.838 -3.905 6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.308 -3.718 7.903 1.00 0.00 H new ATOM 726 N MET A 47 -9.671 -4.387 0.146 1.00 0.00 N ATOM 727 CA MET A 47 -10.819 -4.002 -0.680 1.00 0.00 C ATOM 728 C MET A 47 -10.756 -4.689 -2.048 1.00 0.00 C ATOM 729 O MET A 47 -11.790 -4.998 -2.645 1.00 0.00 O ATOM 730 CB MET A 47 -10.846 -2.483 -0.885 1.00 0.00 C ATOM 731 CG MET A 47 -12.287 -1.975 -0.804 1.00 0.00 C ATOM 732 SD MET A 47 -12.895 -1.605 -2.469 1.00 0.00 S ATOM 733 CE MET A 47 -14.638 -1.383 -2.032 1.00 0.00 C ATOM 0 H MET A 47 -9.038 -3.621 0.374 1.00 0.00 H new ATOM 0 HA MET A 47 -11.724 -4.316 -0.160 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.235 -1.994 -0.127 1.00 0.00 H new ATOM 0 HB3 MET A 47 -10.415 -2.230 -1.854 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.922 -2.725 -0.332 1.00 0.00 H new ATOM 0 HG3 MET A 47 -12.334 -1.081 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 47 -15.210 -1.143 -2.928 1.00 0.00 H new ATOM 0 HE2 MET A 47 -15.023 -2.303 -1.592 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.732 -0.569 -1.313 1.00 0.00 H new ATOM 743 N LEU A 48 -9.533 -4.923 -2.538 1.00 0.00 N ATOM 744 CA LEU A 48 -9.344 -5.573 -3.837 1.00 0.00 C ATOM 745 C LEU A 48 -9.469 -7.094 -3.717 1.00 0.00 C ATOM 746 O LEU A 48 -10.085 -7.741 -4.565 1.00 0.00 O ATOM 747 CB LEU A 48 -7.968 -5.229 -4.413 1.00 0.00 C ATOM 748 CG LEU A 48 -7.832 -3.804 -4.962 1.00 0.00 C ATOM 749 CD1 LEU A 48 -6.353 -3.415 -5.015 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.428 -3.738 -6.371 1.00 0.00 C ATOM 0 H LEU A 48 -8.668 -4.674 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.123 -5.205 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.219 -5.375 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.739 -5.933 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.366 -3.113 -4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.257 -2.402 -5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.929 -3.459 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.818 -4.107 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.331 -2.724 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.896 -4.430 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.482 -4.013 -6.333 1.00 0.00 H new ATOM 762 N GLY A 49 -8.880 -7.659 -2.655 1.00 0.00 N ATOM 763 CA GLY A 49 -8.939 -9.109 -2.442 1.00 0.00 C ATOM 764 C GLY A 49 -7.691 -9.637 -1.722 1.00 0.00 C ATOM 765 O GLY A 49 -7.746 -10.673 -1.058 1.00 0.00 O ATOM 0 H GLY A 49 -8.365 -7.143 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.825 -9.353 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.043 -9.612 -3.403 1.00 0.00 H new ATOM 769 N GLN A 50 -6.565 -8.924 -1.862 1.00 0.00 N ATOM 770 CA GLN A 50 -5.315 -9.347 -1.222 1.00 0.00 C ATOM 771 C GLN A 50 -5.263 -8.889 0.236 1.00 0.00 C ATOM 772 O GLN A 50 -5.974 -7.969 0.640 1.00 0.00 O ATOM 773 CB GLN A 50 -4.108 -8.765 -1.965 1.00 0.00 C ATOM 774 CG GLN A 50 -3.658 -9.740 -3.056 1.00 0.00 C ATOM 775 CD GLN A 50 -4.403 -9.435 -4.354 1.00 0.00 C ATOM 776 OE1 GLN A 50 -5.485 -9.968 -4.596 1.00 0.00 O ATOM 777 NE2 GLN A 50 -3.883 -8.596 -5.212 1.00 0.00 N ATOM 0 H GLN A 50 -6.495 -8.064 -2.405 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.281 -10.436 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.369 -7.804 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.291 -8.583 -1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.583 -9.655 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.854 -10.766 -2.745 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.986 -8.153 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.375 -8.384 -6.080 1.00 0.00 H new ATOM 786 N ASN A 51 -4.409 -9.548 1.022 1.00 0.00 N ATOM 787 CA ASN A 51 -4.270 -9.204 2.438 1.00 0.00 C ATOM 788 C ASN A 51 -2.907 -9.657 2.978 1.00 0.00 C ATOM 789 O ASN A 51 -2.796 -10.707 3.617 1.00 0.00 O ATOM 790 CB ASN A 51 -5.393 -9.855 3.258 1.00 0.00 C ATOM 791 CG ASN A 51 -5.488 -9.191 4.633 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.257 -7.988 4.771 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.820 -9.911 5.670 1.00 0.00 N ATOM 0 H ASN A 51 -3.811 -10.312 0.708 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.340 -8.120 2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.342 -9.758 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.200 -10.922 3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.888 -9.478 6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.012 -10.907 5.559 1.00 0.00 H new ATOM 800 N PRO A 52 -1.859 -8.861 2.728 1.00 0.00 N ATOM 801 CA PRO A 52 -0.494 -9.171 3.197 1.00 0.00 C ATOM 802 C PRO A 52 -0.257 -8.722 4.643 1.00 0.00 C ATOM 803 O PRO A 52 -1.197 -8.375 5.362 1.00 0.00 O ATOM 804 CB PRO A 52 0.365 -8.358 2.234 1.00 0.00 C ATOM 805 CG PRO A 52 -0.503 -7.218 1.716 1.00 0.00 C ATOM 806 CD PRO A 52 -1.967 -7.602 1.962 1.00 0.00 C ATOM 0 HA PRO A 52 -0.281 -10.240 3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.249 -7.970 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.716 -8.980 1.411 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.260 -6.288 2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.324 -7.052 0.654 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.497 -6.833 2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.509 -7.744 1.027 1.00 0.00 H new ATOM 814 N THR A 53 1.013 -8.718 5.052 1.00 0.00 N ATOM 815 CA THR A 53 1.375 -8.293 6.406 1.00 0.00 C ATOM 816 C THR A 53 1.893 -6.856 6.361 1.00 0.00 C ATOM 817 O THR A 53 2.212 -6.342 5.288 1.00 0.00 O ATOM 818 CB THR A 53 2.464 -9.207 7.000 1.00 0.00 C ATOM 819 OG1 THR A 53 3.733 -8.861 6.462 1.00 0.00 O ATOM 820 CG2 THR A 53 2.159 -10.669 6.673 1.00 0.00 C ATOM 0 H THR A 53 1.802 -9.002 4.471 1.00 0.00 H new ATOM 0 HA THR A 53 0.488 -8.356 7.037 1.00 0.00 H new ATOM 0 HB THR A 53 2.479 -9.075 8.082 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.421 -9.445 6.845 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.935 -11.306 7.097 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.193 -10.943 7.097 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.132 -10.802 5.591 1.00 0.00 H new ATOM 828 N PRO A 54 2.003 -6.196 7.519 1.00 0.00 N ATOM 829 CA PRO A 54 2.508 -4.807 7.579 1.00 0.00 C ATOM 830 C PRO A 54 3.993 -4.711 7.232 1.00 0.00 C ATOM 831 O PRO A 54 4.464 -3.681 6.744 1.00 0.00 O ATOM 832 CB PRO A 54 2.237 -4.417 9.027 1.00 0.00 C ATOM 833 CG PRO A 54 2.129 -5.711 9.817 1.00 0.00 C ATOM 834 CD PRO A 54 1.659 -6.783 8.833 1.00 0.00 C ATOM 0 HA PRO A 54 2.028 -4.149 6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.041 -3.792 9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.317 -3.838 9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.091 -5.980 10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.423 -5.605 10.641 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.167 -7.733 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.590 -6.974 8.923 1.00 0.00 H new ATOM 842 N GLU A 55 4.717 -5.806 7.468 1.00 0.00 N ATOM 843 CA GLU A 55 6.145 -5.861 7.160 1.00 0.00 C ATOM 844 C GLU A 55 6.353 -6.208 5.681 1.00 0.00 C ATOM 845 O GLU A 55 7.292 -5.725 5.045 1.00 0.00 O ATOM 846 CB GLU A 55 6.849 -6.917 8.022 1.00 0.00 C ATOM 847 CG GLU A 55 6.358 -6.823 9.471 1.00 0.00 C ATOM 848 CD GLU A 55 7.180 -7.756 10.356 1.00 0.00 C ATOM 849 OE1 GLU A 55 6.852 -8.932 10.410 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.123 -7.282 10.970 1.00 0.00 O ATOM 0 H GLU A 55 4.339 -6.664 7.870 1.00 0.00 H new ATOM 0 HA GLU A 55 6.572 -4.881 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.650 -7.913 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.928 -6.768 7.985 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.445 -5.797 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.303 -7.091 9.525 1.00 0.00 H new ATOM 857 N GLU A 56 5.465 -7.059 5.148 1.00 0.00 N ATOM 858 CA GLU A 56 5.549 -7.482 3.748 1.00 0.00 C ATOM 859 C GLU A 56 5.118 -6.358 2.803 1.00 0.00 C ATOM 860 O GLU A 56 5.852 -5.999 1.881 1.00 0.00 O ATOM 861 CB GLU A 56 4.662 -8.708 3.508 1.00 0.00 C ATOM 862 CG GLU A 56 5.004 -9.340 2.155 1.00 0.00 C ATOM 863 CD GLU A 56 4.018 -10.463 1.852 1.00 0.00 C ATOM 864 OE1 GLU A 56 4.296 -11.588 2.233 1.00 0.00 O ATOM 865 OE2 GLU A 56 2.997 -10.181 1.243 1.00 0.00 O ATOM 0 H GLU A 56 4.685 -7.465 5.664 1.00 0.00 H new ATOM 0 HA GLU A 56 6.589 -7.735 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.808 -9.435 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.612 -8.418 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.964 -8.586 1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.022 -9.730 2.171 1.00 0.00 H new ATOM 872 N LEU A 57 3.916 -5.808 3.036 1.00 0.00 N ATOM 873 CA LEU A 57 3.402 -4.729 2.189 1.00 0.00 C ATOM 874 C LEU A 57 4.341 -3.517 2.195 1.00 0.00 C ATOM 875 O LEU A 57 4.440 -2.803 1.199 1.00 0.00 O ATOM 876 CB LEU A 57 2.005 -4.289 2.649 1.00 0.00 C ATOM 877 CG LEU A 57 1.931 -3.635 4.035 1.00 0.00 C ATOM 878 CD1 LEU A 57 2.033 -2.113 3.899 1.00 0.00 C ATOM 879 CD2 LEU A 57 0.597 -3.996 4.691 1.00 0.00 C ATOM 0 H LEU A 57 3.293 -6.090 3.793 1.00 0.00 H new ATOM 0 HA LEU A 57 3.341 -5.121 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.606 -3.588 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.351 -5.161 2.645 1.00 0.00 H new ATOM 0 HG LEU A 57 2.756 -3.996 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.980 -1.655 4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.981 -1.852 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.211 -1.747 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.539 -3.534 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.223 -3.633 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.523 -5.079 4.793 1.00 0.00 H new ATOM 891 N GLN A 58 5.024 -3.296 3.326 1.00 0.00 N ATOM 892 CA GLN A 58 5.951 -2.165 3.455 1.00 0.00 C ATOM 893 C GLN A 58 6.982 -2.154 2.320 1.00 0.00 C ATOM 894 O GLN A 58 7.297 -1.098 1.769 1.00 0.00 O ATOM 895 CB GLN A 58 6.689 -2.222 4.798 1.00 0.00 C ATOM 896 CG GLN A 58 7.268 -0.842 5.129 1.00 0.00 C ATOM 897 CD GLN A 58 6.132 0.151 5.362 1.00 0.00 C ATOM 898 OE1 GLN A 58 5.597 0.245 6.467 1.00 0.00 O ATOM 899 NE2 GLN A 58 5.728 0.908 4.376 1.00 0.00 N ATOM 0 H GLN A 58 4.953 -3.881 4.159 1.00 0.00 H new ATOM 0 HA GLN A 58 5.356 -1.253 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.006 -2.539 5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.489 -2.961 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.897 -0.904 6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.903 -0.498 4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.170 0.831 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.971 1.575 4.523 1.00 0.00 H new ATOM 908 N GLU A 59 7.501 -3.338 1.980 1.00 0.00 N ATOM 909 CA GLU A 59 8.497 -3.456 0.908 1.00 0.00 C ATOM 910 C GLU A 59 7.898 -3.112 -0.462 1.00 0.00 C ATOM 911 O GLU A 59 8.630 -2.784 -1.398 1.00 0.00 O ATOM 912 CB GLU A 59 9.062 -4.879 0.857 1.00 0.00 C ATOM 913 CG GLU A 59 10.013 -5.096 2.038 1.00 0.00 C ATOM 914 CD GLU A 59 11.106 -6.085 1.640 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.084 -5.653 1.049 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.951 -7.260 1.932 1.00 0.00 O ATOM 0 H GLU A 59 7.252 -4.221 2.426 1.00 0.00 H new ATOM 0 HA GLU A 59 9.293 -2.746 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.250 -5.605 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.591 -5.038 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.458 -4.148 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.461 -5.475 2.898 1.00 0.00 H new ATOM 923 N MET A 60 6.566 -3.189 -0.575 1.00 0.00 N ATOM 924 CA MET A 60 5.890 -2.882 -1.839 1.00 0.00 C ATOM 925 C MET A 60 5.823 -1.371 -2.058 1.00 0.00 C ATOM 926 O MET A 60 6.238 -0.872 -3.103 1.00 0.00 O ATOM 927 CB MET A 60 4.466 -3.454 -1.853 1.00 0.00 C ATOM 928 CG MET A 60 4.509 -4.973 -1.651 1.00 0.00 C ATOM 929 SD MET A 60 5.071 -5.772 -3.176 1.00 0.00 S ATOM 930 CE MET A 60 4.047 -7.259 -3.046 1.00 0.00 C ATOM 0 H MET A 60 5.942 -3.458 0.185 1.00 0.00 H new ATOM 0 HA MET A 60 6.467 -3.342 -2.641 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.871 -2.991 -1.065 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.980 -3.218 -2.800 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.180 -5.222 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.520 -5.342 -1.378 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.237 -7.907 -3.901 1.00 0.00 H new ATOM 0 HE2 MET A 60 4.292 -7.790 -2.126 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.995 -6.976 -3.032 1.00 0.00 H new ATOM 940 N ILE A 61 5.305 -0.650 -1.055 1.00 0.00 N ATOM 941 CA ILE A 61 5.199 0.814 -1.146 1.00 0.00 C ATOM 942 C ILE A 61 6.584 1.422 -1.303 1.00 0.00 C ATOM 943 O ILE A 61 6.857 2.140 -2.260 1.00 0.00 O ATOM 944 CB ILE A 61 4.572 1.431 0.111 1.00 0.00 C ATOM 945 CG1 ILE A 61 3.420 0.573 0.626 1.00 0.00 C ATOM 946 CG2 ILE A 61 4.059 2.831 -0.210 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.882 -0.127 1.898 1.00 0.00 C ATOM 0 H ILE A 61 4.957 -1.048 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 61 4.564 1.028 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 61 5.336 1.483 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.546 1.192 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.125 -0.159 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.614 3.269 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.888 3.454 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.308 2.772 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.074 -0.747 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.746 -0.753 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.157 0.618 2.644 1.00 0.00 H new ATOM 959 N ASP A 62 7.447 1.122 -0.328 1.00 0.00 N ATOM 960 CA ASP A 62 8.822 1.636 -0.326 1.00 0.00 C ATOM 961 C ASP A 62 9.493 1.474 -1.697 1.00 0.00 C ATOM 962 O ASP A 62 10.272 2.332 -2.118 1.00 0.00 O ATOM 963 CB ASP A 62 9.660 0.900 0.726 1.00 0.00 C ATOM 964 CG ASP A 62 10.820 1.786 1.173 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.634 2.544 2.110 1.00 0.00 O ATOM 966 OD2 ASP A 62 11.877 1.692 0.570 1.00 0.00 O ATOM 0 H ASP A 62 7.220 0.527 0.469 1.00 0.00 H new ATOM 0 HA ASP A 62 8.769 2.699 -0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.038 0.639 1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.041 -0.034 0.313 1.00 0.00 H new ATOM 971 N GLU A 63 9.193 0.364 -2.384 1.00 0.00 N ATOM 972 CA GLU A 63 9.784 0.101 -3.699 1.00 0.00 C ATOM 973 C GLU A 63 9.125 0.944 -4.798 1.00 0.00 C ATOM 974 O GLU A 63 9.814 1.584 -5.594 1.00 0.00 O ATOM 975 CB GLU A 63 9.641 -1.382 -4.062 1.00 0.00 C ATOM 976 CG GLU A 63 10.899 -2.141 -3.629 1.00 0.00 C ATOM 977 CD GLU A 63 10.994 -3.456 -4.399 1.00 0.00 C ATOM 978 OE1 GLU A 63 11.173 -3.405 -5.607 1.00 0.00 O ATOM 979 OE2 GLU A 63 10.889 -4.496 -3.771 1.00 0.00 O ATOM 0 H GLU A 63 8.552 -0.358 -2.055 1.00 0.00 H new ATOM 0 HA GLU A 63 10.838 0.372 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.763 -1.804 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.490 -1.491 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.785 -1.534 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.867 -2.337 -2.557 1.00 0.00 H new ATOM 986 N VAL A 64 7.789 0.919 -4.848 1.00 0.00 N ATOM 987 CA VAL A 64 7.050 1.671 -5.876 1.00 0.00 C ATOM 988 C VAL A 64 7.119 3.186 -5.654 1.00 0.00 C ATOM 989 O VAL A 64 6.965 3.957 -6.604 1.00 0.00 O ATOM 990 CB VAL A 64 5.574 1.246 -5.918 1.00 0.00 C ATOM 991 CG1 VAL A 64 5.476 -0.273 -6.097 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.874 1.659 -4.618 1.00 0.00 C ATOM 0 H VAL A 64 7.201 0.395 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 64 7.532 1.437 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 64 5.086 1.739 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.427 -0.569 -6.126 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.961 -0.561 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.970 -0.770 -5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.828 1.354 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.363 1.176 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.933 2.741 -4.501 1.00 0.00 H new ATOM 1002 N ASP A 65 7.341 3.610 -4.402 1.00 0.00 N ATOM 1003 CA ASP A 65 7.415 5.039 -4.093 1.00 0.00 C ATOM 1004 C ASP A 65 8.637 5.654 -4.779 1.00 0.00 C ATOM 1005 O ASP A 65 9.747 5.642 -4.243 1.00 0.00 O ATOM 1006 CB ASP A 65 7.497 5.269 -2.578 1.00 0.00 C ATOM 1007 CG ASP A 65 6.624 6.463 -2.192 1.00 0.00 C ATOM 1008 OD1 ASP A 65 6.962 7.571 -2.573 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.626 6.249 -1.523 1.00 0.00 O ATOM 0 H ASP A 65 7.470 2.993 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 65 6.509 5.519 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.166 4.377 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.530 5.451 -2.283 1.00 0.00 H new ATOM 1014 N GLU A 66 8.408 6.167 -5.989 1.00 0.00 N ATOM 1015 CA GLU A 66 9.480 6.768 -6.792 1.00 0.00 C ATOM 1016 C GLU A 66 10.141 7.947 -6.079 1.00 0.00 C ATOM 1017 O GLU A 66 11.370 8.050 -6.043 1.00 0.00 O ATOM 1018 CB GLU A 66 8.930 7.260 -8.135 1.00 0.00 C ATOM 1019 CG GLU A 66 8.794 6.079 -9.100 1.00 0.00 C ATOM 1020 CD GLU A 66 10.145 5.792 -9.751 1.00 0.00 C ATOM 1021 OE1 GLU A 66 10.472 6.468 -10.714 1.00 0.00 O ATOM 1022 OE2 GLU A 66 10.832 4.902 -9.277 1.00 0.00 O ATOM 0 H GLU A 66 7.491 6.179 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 66 10.228 5.990 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.961 7.737 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.595 8.013 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.442 5.197 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.051 6.305 -9.865 1.00 0.00 H new ATOM 1029 N ASP A 67 9.321 8.841 -5.526 1.00 0.00 N ATOM 1030 CA ASP A 67 9.849 10.020 -4.832 1.00 0.00 C ATOM 1031 C ASP A 67 10.290 9.672 -3.408 1.00 0.00 C ATOM 1032 O ASP A 67 11.269 10.224 -2.902 1.00 0.00 O ATOM 1033 CB ASP A 67 8.807 11.151 -4.782 1.00 0.00 C ATOM 1034 CG ASP A 67 7.439 10.603 -4.365 1.00 0.00 C ATOM 1035 OD1 ASP A 67 7.188 10.533 -3.175 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.664 10.264 -5.244 1.00 0.00 O ATOM 0 H ASP A 67 8.303 8.776 -5.543 1.00 0.00 H new ATOM 0 HA ASP A 67 10.715 10.363 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.128 11.918 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.732 11.627 -5.759 1.00 0.00 H new ATOM 1041 N GLY A 68 9.560 8.755 -2.767 1.00 0.00 N ATOM 1042 CA GLY A 68 9.886 8.344 -1.402 1.00 0.00 C ATOM 1043 C GLY A 68 9.497 9.431 -0.406 1.00 0.00 C ATOM 1044 O GLY A 68 10.318 9.877 0.397 1.00 0.00 O ATOM 0 H GLY A 68 8.747 8.288 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.363 7.418 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.953 8.137 -1.324 1.00 0.00 H new ATOM 1048 N SER A 69 8.234 9.859 -0.475 1.00 0.00 N ATOM 1049 CA SER A 69 7.738 10.905 0.418 1.00 0.00 C ATOM 1050 C SER A 69 7.101 10.306 1.674 1.00 0.00 C ATOM 1051 O SER A 69 7.379 10.742 2.793 1.00 0.00 O ATOM 1052 CB SER A 69 6.702 11.776 -0.302 1.00 0.00 C ATOM 1053 OG SER A 69 5.644 10.955 -0.787 1.00 0.00 O ATOM 0 H SER A 69 7.543 9.500 -1.134 1.00 0.00 H new ATOM 0 HA SER A 69 8.591 11.516 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.308 12.530 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.171 12.309 -1.129 1.00 0.00 H new ATOM 0 HG SER A 69 5.875 10.615 -1.677 1.00 0.00 H new ATOM 1059 N GLY A 70 6.235 9.312 1.471 1.00 0.00 N ATOM 1060 CA GLY A 70 5.542 8.661 2.585 1.00 0.00 C ATOM 1061 C GLY A 70 4.117 8.273 2.182 1.00 0.00 C ATOM 1062 O GLY A 70 3.521 7.369 2.768 1.00 0.00 O ATOM 0 H GLY A 70 5.997 8.941 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.093 7.772 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.513 9.332 3.444 1.00 0.00 H new ATOM 1066 N THR A 71 3.581 8.966 1.171 1.00 0.00 N ATOM 1067 CA THR A 71 2.233 8.684 0.685 1.00 0.00 C ATOM 1068 C THR A 71 2.307 7.984 -0.668 1.00 0.00 C ATOM 1069 O THR A 71 3.254 8.186 -1.434 1.00 0.00 O ATOM 1070 CB THR A 71 1.422 9.978 0.538 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.030 10.819 -0.439 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.367 10.704 1.884 1.00 0.00 C ATOM 0 H THR A 71 4.059 9.721 0.679 1.00 0.00 H new ATOM 0 HA THR A 71 1.738 8.039 1.411 1.00 0.00 H new ATOM 0 HB THR A 71 0.409 9.734 0.218 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.336 11.315 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.791 11.623 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.892 10.061 2.625 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.379 10.946 2.209 1.00 0.00 H new ATOM 1080 N VAL A 72 1.302 7.158 -0.955 1.00 0.00 N ATOM 1081 CA VAL A 72 1.269 6.432 -2.219 1.00 0.00 C ATOM 1082 C VAL A 72 0.339 7.120 -3.205 1.00 0.00 C ATOM 1083 O VAL A 72 -0.858 7.270 -2.954 1.00 0.00 O ATOM 1084 CB VAL A 72 0.800 4.989 -2.016 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.067 4.181 -3.290 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.564 4.363 -0.850 1.00 0.00 C ATOM 0 H VAL A 72 0.511 6.978 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 72 2.284 6.423 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.268 4.983 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.733 3.153 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.523 4.626 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.135 4.188 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.230 3.336 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.632 4.370 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.376 4.936 0.058 1.00 0.00 H new ATOM 1096 N ASP A 73 0.907 7.522 -4.338 1.00 0.00 N ATOM 1097 CA ASP A 73 0.129 8.181 -5.383 1.00 0.00 C ATOM 1098 C ASP A 73 -0.513 7.123 -6.275 1.00 0.00 C ATOM 1099 O ASP A 73 -0.198 5.937 -6.169 1.00 0.00 O ATOM 1100 CB ASP A 73 1.026 9.090 -6.234 1.00 0.00 C ATOM 1101 CG ASP A 73 1.844 10.007 -5.322 1.00 0.00 C ATOM 1102 OD1 ASP A 73 1.272 10.944 -4.790 1.00 0.00 O ATOM 1103 OD2 ASP A 73 3.029 9.754 -5.168 1.00 0.00 O ATOM 0 H ASP A 73 1.897 7.404 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.642 8.793 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.692 8.486 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.416 9.686 -6.913 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.416 7.556 -7.155 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.090 6.618 -8.056 1.00 0.00 C ATOM 1110 C PHE A 74 -1.073 5.904 -8.954 1.00 0.00 C ATOM 1111 O PHE A 74 -1.249 4.734 -9.292 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.121 7.345 -8.927 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.081 6.345 -9.536 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.539 5.252 -8.786 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.515 6.516 -10.855 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.426 4.333 -9.357 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.402 5.596 -11.426 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.858 4.504 -10.677 1.00 0.00 C ATOM 0 H PHE A 74 -1.695 8.531 -7.264 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.604 5.879 -7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.670 8.070 -8.326 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.615 7.903 -9.715 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.207 5.120 -7.767 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.165 7.359 -11.433 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.777 3.491 -8.779 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.735 5.728 -12.445 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.543 3.794 -11.118 1.00 0.00 H new ATOM 1128 N ASP A 75 0.000 6.617 -9.317 1.00 0.00 N ATOM 1129 CA ASP A 75 1.050 6.038 -10.160 1.00 0.00 C ATOM 1130 C ASP A 75 1.818 4.959 -9.394 1.00 0.00 C ATOM 1131 O ASP A 75 2.130 3.903 -9.942 1.00 0.00 O ATOM 1132 CB ASP A 75 2.032 7.122 -10.615 1.00 0.00 C ATOM 1133 CG ASP A 75 1.565 7.712 -11.941 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.960 7.191 -12.971 1.00 0.00 O ATOM 1135 OD2 ASP A 75 0.818 8.677 -11.908 1.00 0.00 O ATOM 0 H ASP A 75 0.162 7.586 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 75 0.572 5.593 -11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.099 7.906 -9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.031 6.699 -10.725 1.00 0.00 H new ATOM 1140 N GLU A 76 2.104 5.237 -8.115 1.00 0.00 N ATOM 1141 CA GLU A 76 2.826 4.282 -7.261 1.00 0.00 C ATOM 1142 C GLU A 76 1.898 3.138 -6.831 1.00 0.00 C ATOM 1143 O GLU A 76 2.356 2.051 -6.475 1.00 0.00 O ATOM 1144 CB GLU A 76 3.367 4.974 -5.998 1.00 0.00 C ATOM 1145 CG GLU A 76 3.897 6.373 -6.348 1.00 0.00 C ATOM 1146 CD GLU A 76 4.553 7.014 -5.123 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.952 6.988 -4.062 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.646 7.533 -5.269 1.00 0.00 O ATOM 0 H GLU A 76 1.849 6.109 -7.651 1.00 0.00 H new ATOM 0 HA GLU A 76 3.658 3.886 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.578 5.052 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.164 4.374 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.620 6.303 -7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.079 7.001 -6.702 1.00 0.00 H new ATOM 1155 N PHE A 77 0.590 3.406 -6.869 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.419 2.418 -6.483 1.00 0.00 C ATOM 1157 C PHE A 77 -0.624 1.375 -7.589 1.00 0.00 C ATOM 1158 O PHE A 77 -0.850 0.196 -7.308 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.750 3.129 -6.201 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.802 2.132 -5.776 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.732 1.533 -4.512 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.851 1.814 -6.645 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.711 0.614 -4.120 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.830 0.895 -6.253 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.761 0.295 -4.990 1.00 0.00 C ATOM 0 H PHE A 77 0.205 4.303 -7.165 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.070 1.905 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.612 3.876 -5.419 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.082 3.659 -7.094 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.923 1.780 -3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.905 2.278 -7.619 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.657 0.150 -3.146 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.639 0.648 -6.925 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.517 -0.414 -4.687 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.558 1.825 -8.844 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.755 0.931 -9.989 1.00 0.00 C ATOM 1177 C LEU A 78 0.499 0.106 -10.289 1.00 0.00 C ATOM 1178 O LEU A 78 0.404 -1.081 -10.607 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.118 1.746 -11.227 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.449 2.497 -11.138 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.330 3.824 -11.887 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.560 1.651 -11.764 1.00 0.00 C ATOM 0 H LEU A 78 -0.371 2.796 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.564 0.247 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.323 2.467 -11.415 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.152 1.077 -12.087 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.691 2.688 -10.093 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.276 4.362 -11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.540 4.426 -11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.089 3.631 -12.932 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.506 2.188 -11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.324 1.457 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.642 0.705 -11.229 1.00 0.00 H new ATOM 1194 N VAL A 79 1.672 0.744 -10.193 1.00 0.00 N ATOM 1195 CA VAL A 79 2.940 0.048 -10.468 1.00 0.00 C ATOM 1196 C VAL A 79 3.140 -1.144 -9.530 1.00 0.00 C ATOM 1197 O VAL A 79 3.808 -2.109 -9.885 1.00 0.00 O ATOM 1198 CB VAL A 79 4.146 0.985 -10.332 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.149 1.993 -11.484 1.00 0.00 C ATOM 1200 CG2 VAL A 79 4.092 1.728 -8.994 1.00 0.00 C ATOM 0 H VAL A 79 1.772 1.725 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 79 2.875 -0.305 -11.497 1.00 0.00 H new ATOM 0 HB VAL A 79 5.060 0.392 -10.368 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.007 2.657 -11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.211 1.461 -12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.231 2.580 -11.456 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.954 2.390 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.176 2.317 -8.941 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.107 1.007 -8.177 1.00 0.00 H new ATOM 1210 N MET A 80 2.554 -1.064 -8.331 1.00 0.00 N ATOM 1211 CA MET A 80 2.667 -2.144 -7.340 1.00 0.00 C ATOM 1212 C MET A 80 2.457 -3.525 -7.979 1.00 0.00 C ATOM 1213 O MET A 80 3.112 -4.498 -7.602 1.00 0.00 O ATOM 1214 CB MET A 80 1.624 -1.953 -6.234 1.00 0.00 C ATOM 1215 CG MET A 80 2.257 -1.240 -5.037 1.00 0.00 C ATOM 1216 SD MET A 80 1.069 -0.073 -4.324 1.00 0.00 S ATOM 1217 CE MET A 80 -0.267 -1.255 -4.010 1.00 0.00 C ATOM 0 H MET A 80 1.998 -0.267 -8.022 1.00 0.00 H new ATOM 0 HA MET A 80 3.674 -2.099 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.783 -1.371 -6.612 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.229 -2.920 -5.924 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.561 -1.969 -4.286 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.157 -0.712 -5.351 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.005 -0.803 -3.348 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.743 -1.525 -4.953 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.142 -2.150 -3.540 1.00 0.00 H new ATOM 1227 N MET A 81 1.534 -3.596 -8.947 1.00 0.00 N ATOM 1228 CA MET A 81 1.240 -4.863 -9.628 1.00 0.00 C ATOM 1229 C MET A 81 2.354 -5.238 -10.613 1.00 0.00 C ATOM 1230 O MET A 81 2.929 -6.326 -10.529 1.00 0.00 O ATOM 1231 CB MET A 81 -0.087 -4.764 -10.391 1.00 0.00 C ATOM 1232 CG MET A 81 -1.249 -4.683 -9.397 1.00 0.00 C ATOM 1233 SD MET A 81 -1.574 -6.327 -8.709 1.00 0.00 S ATOM 1234 CE MET A 81 -1.426 -5.880 -6.961 1.00 0.00 C ATOM 0 H MET A 81 0.984 -2.801 -9.273 1.00 0.00 H new ATOM 0 HA MET A 81 1.170 -5.636 -8.863 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.083 -3.884 -11.034 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.210 -5.631 -11.040 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.008 -3.984 -8.596 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.141 -4.303 -9.895 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.593 -6.763 -6.344 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.428 -5.487 -6.769 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.168 -5.120 -6.716 1.00 0.00 H new ATOM 1244 N VAL A 82 2.644 -4.330 -11.551 1.00 0.00 N ATOM 1245 CA VAL A 82 3.685 -4.570 -12.567 1.00 0.00 C ATOM 1246 C VAL A 82 5.075 -4.727 -11.934 1.00 0.00 C ATOM 1247 O VAL A 82 5.927 -5.438 -12.469 1.00 0.00 O ATOM 1248 CB VAL A 82 3.733 -3.419 -13.583 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.428 -3.374 -14.382 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.925 -2.089 -12.850 1.00 0.00 C ATOM 0 H VAL A 82 2.178 -3.426 -11.631 1.00 0.00 H new ATOM 0 HA VAL A 82 3.421 -5.499 -13.072 1.00 0.00 H new ATOM 0 HB VAL A 82 4.568 -3.583 -14.264 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.469 -2.555 -15.100 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.294 -4.316 -14.913 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.590 -3.218 -13.702 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.958 -1.276 -13.575 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.094 -1.929 -12.163 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.859 -2.114 -12.289 1.00 0.00 H new ATOM 1260 N ARG A 83 5.295 -4.056 -10.796 1.00 0.00 N ATOM 1261 CA ARG A 83 6.586 -4.126 -10.098 1.00 0.00 C ATOM 1262 C ARG A 83 6.924 -5.564 -9.694 1.00 0.00 C ATOM 1263 O ARG A 83 8.094 -5.909 -9.529 1.00 0.00 O ATOM 1264 CB ARG A 83 6.563 -3.257 -8.837 1.00 0.00 C ATOM 1265 CG ARG A 83 6.636 -1.780 -9.231 1.00 0.00 C ATOM 1266 CD ARG A 83 8.056 -1.254 -9.005 1.00 0.00 C ATOM 1267 NE ARG A 83 8.058 0.206 -8.884 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.198 0.902 -8.770 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.361 0.292 -8.770 1.00 0.00 N ATOM 1270 NH2 ARG A 83 9.151 2.205 -8.657 1.00 0.00 N ATOM 0 H ARG A 83 4.601 -3.462 -10.341 1.00 0.00 H new ATOM 0 HA ARG A 83 7.346 -3.760 -10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.653 -3.448 -8.268 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.402 -3.514 -8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.355 -1.659 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.925 -1.201 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.474 -1.699 -8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.696 -1.555 -9.834 1.00 0.00 H new ATOM 0 HE ARG A 83 7.169 0.706 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.404 -0.723 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.221 0.834 -8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.251 2.685 -8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.015 2.741 -8.570 1.00 0.00 H new ATOM 1284 N CYS A 84 5.887 -6.394 -9.539 1.00 0.00 N ATOM 1285 CA CYS A 84 6.080 -7.797 -9.154 1.00 0.00 C ATOM 1286 C CYS A 84 6.935 -8.544 -10.187 1.00 0.00 C ATOM 1287 O CYS A 84 7.640 -9.496 -9.846 1.00 0.00 O ATOM 1288 CB CYS A 84 4.730 -8.509 -9.022 1.00 0.00 C ATOM 1289 SG CYS A 84 4.908 -9.948 -7.938 1.00 0.00 S ATOM 0 H CYS A 84 4.913 -6.122 -9.673 1.00 0.00 H new ATOM 0 HA CYS A 84 6.595 -7.802 -8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.985 -7.825 -8.616 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.375 -8.822 -10.004 1.00 0.00 H new ATOM 0 HG CYS A 84 3.762 -10.550 -7.825 1.00 0.00 H new