USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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: B 476 TYR OH : rot 15:sc= 0.835 USER MOD Set 1.2: B 480 LYS NZ :NH3+ -109:sc= 0.77 (180deg=-0.467) USER MOD Set 2.1: B 468 ASN : amide:sc= 1.15 K(o=1.2,f=-0.083) USER MOD Set 2.2: B 472 GLN : amide:sc= 0.0965 K(o=1.2,f=0.7) USER MOD Set 3.1: A 143 CYS SG : rot 7:sc= -1.58! USER MOD Set 3.2: B 473 CYS SG : rot 65:sc= 1.16 USER MOD Set 4.1: A 116 ASN : amide:sc= -0.101 K(o=-0.98,f=-2.2!) USER MOD Set 4.2: A 119 GLN : amide:sc= -0.884 X(o=-0.98,f=-1) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0056 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0.462 K(o=0.46,f=-3.9!) USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= -1.88! (180deg=-4.39!) USER MOD Single : A 94 ASN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 98 SER OG : rot 120:sc= 0.0329 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.709 K(o=0.71,f=-0.15) USER MOD Single : A 109 HIS : no HD1:sc= 0.681 K(o=0.68,f=-5.3!) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.322 F(o=-3.3!,f=-0.32) USER MOD Single : A 114 MET CE :methyl 179:sc= -0.669 (180deg=-0.682) USER MOD Single : A 123 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0509) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl 171:sc= -1.06 (180deg=-1.35) USER MOD Single : A 130 TYR OH : rot 150:sc= -1.06 USER MOD Single : A 131 MET CE :methyl 155:sc= -1.85! (180deg=-3.43!) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 142 CYS SG : rot 84:sc= -2.99! USER MOD Single : B 465 HIS :FLIP no HE2:sc= 0.204 F(o=-2.2!,f=0.2) USER MOD Single : B 479 LYS NZ :NH3+ -143:sc= 0.211 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -1.313 -12.100 0.126 1.00 0.00 N ATOM 71 CA ARG A 86 -0.862 -11.085 -0.806 1.00 0.00 C ATOM 72 C ARG A 86 -1.793 -11.059 -2.008 1.00 0.00 C ATOM 73 O ARG A 86 -2.089 -12.093 -2.601 1.00 0.00 O ATOM 74 CB ARG A 86 0.589 -11.328 -1.236 1.00 0.00 C ATOM 75 CG ARG A 86 0.857 -12.719 -1.788 1.00 0.00 C ATOM 76 CD ARG A 86 2.302 -12.855 -2.229 1.00 0.00 C ATOM 77 NE ARG A 86 2.623 -14.202 -2.687 1.00 0.00 N ATOM 78 CZ ARG A 86 3.852 -14.600 -3.000 1.00 0.00 C ATOM 79 NH1 ARG A 86 4.873 -13.753 -2.902 1.00 0.00 N ATOM 80 NH2 ARG A 86 4.063 -15.845 -3.404 1.00 0.00 N ATOM 0 HA ARG A 86 -0.889 -10.114 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.859 -10.592 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.242 -11.158 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.633 -13.466 -1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.195 -12.914 -2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.502 -12.145 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.958 -12.591 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 86 1.862 -14.876 -2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.713 -12.796 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.815 -14.060 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.282 -16.497 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.006 -16.150 -3.644 1.00 0.00 H new ATOM 94 N VAL A 87 -2.266 -9.872 -2.341 1.00 0.00 N ATOM 95 CA VAL A 87 -3.278 -9.710 -3.368 1.00 0.00 C ATOM 96 C VAL A 87 -2.648 -9.662 -4.762 1.00 0.00 C ATOM 97 O VAL A 87 -1.477 -9.307 -4.916 1.00 0.00 O ATOM 98 CB VAL A 87 -4.107 -8.432 -3.098 1.00 0.00 C ATOM 99 CG1 VAL A 87 -3.251 -7.184 -3.247 1.00 0.00 C ATOM 100 CG2 VAL A 87 -5.332 -8.369 -3.995 1.00 0.00 C ATOM 0 H VAL A 87 -1.962 -8.999 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.942 -10.574 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.457 -8.475 -2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.859 -6.300 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.426 -7.221 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.854 -7.134 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.893 -7.460 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.019 -8.365 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.964 -9.238 -3.809 1.00 0.00 H new ATOM 110 N SER A 88 -3.434 -10.048 -5.762 1.00 0.00 N ATOM 111 CA SER A 88 -2.994 -10.075 -7.148 1.00 0.00 C ATOM 112 C SER A 88 -2.555 -8.689 -7.623 1.00 0.00 C ATOM 113 O SER A 88 -3.174 -7.678 -7.288 1.00 0.00 O ATOM 114 CB SER A 88 -4.143 -10.576 -8.015 1.00 0.00 C ATOM 115 OG SER A 88 -4.717 -11.748 -7.463 1.00 0.00 O ATOM 0 H SER A 88 -4.399 -10.352 -5.630 1.00 0.00 H new ATOM 0 HA SER A 88 -2.135 -10.741 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.903 -9.800 -8.103 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.781 -10.783 -9.022 1.00 0.00 H new ATOM 0 HG SER A 88 -5.453 -12.052 -8.034 1.00 0.00 H new ATOM 121 N LEU A 89 -1.490 -8.664 -8.422 1.00 0.00 N ATOM 122 CA LEU A 89 -0.931 -7.422 -8.941 1.00 0.00 C ATOM 123 C LEU A 89 -1.902 -6.790 -9.925 1.00 0.00 C ATOM 124 O LEU A 89 -1.961 -5.573 -10.065 1.00 0.00 O ATOM 125 CB LEU A 89 0.409 -7.697 -9.618 1.00 0.00 C ATOM 126 CG LEU A 89 1.351 -6.493 -9.718 1.00 0.00 C ATOM 127 CD1 LEU A 89 2.794 -6.948 -9.623 1.00 0.00 C ATOM 128 CD2 LEU A 89 1.125 -5.731 -11.016 1.00 0.00 C ATOM 0 H LEU A 89 -0.994 -9.502 -8.726 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.769 -6.729 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.918 -8.491 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.219 -8.073 -10.623 1.00 0.00 H new ATOM 0 HG LEU A 89 1.135 -5.822 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.454 -6.083 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.956 -7.449 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.012 -7.640 -10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.806 -4.881 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.311 -6.392 -11.863 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.096 -5.374 -11.054 1.00 0.00 H new ATOM 140 N GLN A 90 -2.655 -7.643 -10.604 1.00 0.00 N ATOM 141 CA GLN A 90 -3.735 -7.202 -11.482 1.00 0.00 C ATOM 142 C GLN A 90 -4.700 -6.299 -10.727 1.00 0.00 C ATOM 143 O GLN A 90 -5.108 -5.251 -11.221 1.00 0.00 O ATOM 144 CB GLN A 90 -4.483 -8.414 -12.027 1.00 0.00 C ATOM 145 CG GLN A 90 -3.672 -9.228 -13.010 1.00 0.00 C ATOM 146 CD GLN A 90 -4.231 -10.620 -13.209 1.00 0.00 C ATOM 147 OE1 GLN A 90 -3.870 -11.553 -12.492 1.00 0.00 O ATOM 148 NE2 GLN A 90 -5.116 -10.773 -14.178 1.00 0.00 N ATOM 0 H GLN A 90 -2.538 -8.655 -10.564 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.304 -6.639 -12.310 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.780 -9.053 -11.195 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.399 -8.078 -12.513 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.644 -8.711 -13.969 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.644 -9.300 -12.656 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.389 -9.974 -14.750 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.526 -11.690 -14.354 1.00 0.00 H new ATOM 157 N ASN A 91 -5.034 -6.711 -9.514 1.00 0.00 N ATOM 158 CA ASN A 91 -5.931 -5.949 -8.656 1.00 0.00 C ATOM 159 C ASN A 91 -5.313 -4.604 -8.317 1.00 0.00 C ATOM 160 O ASN A 91 -6.002 -3.590 -8.223 1.00 0.00 O ATOM 161 CB ASN A 91 -6.223 -6.723 -7.368 1.00 0.00 C ATOM 162 CG ASN A 91 -7.014 -7.994 -7.611 1.00 0.00 C ATOM 163 OD1 ASN A 91 -6.868 -8.649 -8.642 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.857 -8.354 -6.662 1.00 0.00 N ATOM 0 H ASN A 91 -4.694 -7.578 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.867 -5.788 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.282 -6.974 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.777 -6.082 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.415 -9.201 -6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.951 -7.785 -5.821 1.00 0.00 H new ATOM 171 N LEU A 92 -3.998 -4.609 -8.158 1.00 0.00 N ATOM 172 CA LEU A 92 -3.255 -3.401 -7.848 1.00 0.00 C ATOM 173 C LEU A 92 -3.221 -2.479 -9.060 1.00 0.00 C ATOM 174 O LEU A 92 -3.266 -1.263 -8.924 1.00 0.00 O ATOM 175 CB LEU A 92 -1.834 -3.763 -7.411 1.00 0.00 C ATOM 176 CG LEU A 92 -1.755 -4.813 -6.302 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.308 -5.198 -6.033 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.412 -4.292 -5.035 1.00 0.00 C ATOM 0 H LEU A 92 -3.421 -5.446 -8.240 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.751 -2.878 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.284 -4.128 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.331 -2.857 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.291 -5.704 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.272 -5.946 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.134 -5.609 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.252 -4.315 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.348 -5.050 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.901 -3.388 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.459 -4.064 -5.235 1.00 0.00 H new ATOM 190 N LYS A 93 -3.167 -3.070 -10.248 1.00 0.00 N ATOM 191 CA LYS A 93 -3.143 -2.305 -11.494 1.00 0.00 C ATOM 192 C LYS A 93 -4.380 -1.425 -11.650 1.00 0.00 C ATOM 193 O LYS A 93 -4.350 -0.417 -12.358 1.00 0.00 O ATOM 194 CB LYS A 93 -3.038 -3.247 -12.689 1.00 0.00 C ATOM 195 CG LYS A 93 -1.685 -3.924 -12.819 1.00 0.00 C ATOM 196 CD LYS A 93 -1.604 -4.813 -14.055 1.00 0.00 C ATOM 197 CE LYS A 93 -1.484 -4.009 -15.348 1.00 0.00 C ATOM 198 NZ LYS A 93 -2.745 -3.310 -15.723 1.00 0.00 N ATOM 0 H LYS A 93 -3.139 -4.081 -10.377 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.269 -1.655 -11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.810 -4.012 -12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.242 -2.686 -13.601 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.904 -3.165 -12.867 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.493 -4.523 -11.929 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.746 -5.479 -13.964 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.492 -5.443 -14.104 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.687 -3.273 -15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.192 -4.677 -16.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.937 -3.459 -16.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.533 -3.691 -15.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.646 -2.292 -15.536 1.00 0.00 H new ATOM 212 N ASN A 94 -5.461 -1.804 -10.988 1.00 0.00 N ATOM 213 CA ASN A 94 -6.711 -1.057 -11.073 1.00 0.00 C ATOM 214 C ASN A 94 -6.659 0.202 -10.217 1.00 0.00 C ATOM 215 O ASN A 94 -7.453 1.121 -10.403 1.00 0.00 O ATOM 216 CB ASN A 94 -7.890 -1.928 -10.640 1.00 0.00 C ATOM 217 CG ASN A 94 -8.258 -2.971 -11.673 1.00 0.00 C ATOM 218 OD1 ASN A 94 -9.084 -2.721 -12.551 1.00 0.00 O ATOM 219 ND2 ASN A 94 -7.649 -4.141 -11.590 1.00 0.00 N ATOM 0 H ASN A 94 -5.501 -2.625 -10.384 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.849 -0.763 -12.113 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.644 -2.424 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.754 -1.292 -10.448 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.858 -4.874 -12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -6.970 -4.311 -10.848 1.00 0.00 H new ATOM 226 N LEU A 95 -5.709 0.243 -9.292 1.00 0.00 N ATOM 227 CA LEU A 95 -5.588 1.357 -8.358 1.00 0.00 C ATOM 228 C LEU A 95 -5.295 2.666 -9.086 1.00 0.00 C ATOM 229 O LEU A 95 -5.922 3.689 -8.815 1.00 0.00 O ATOM 230 CB LEU A 95 -4.483 1.072 -7.340 1.00 0.00 C ATOM 231 CG LEU A 95 -4.689 -0.180 -6.490 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.505 -0.396 -5.569 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.974 -0.088 -5.689 1.00 0.00 C ATOM 0 H LEU A 95 -5.007 -0.486 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.541 1.463 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.536 0.979 -7.872 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.392 1.932 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.769 -1.035 -7.161 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.668 -1.292 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.599 -0.516 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.395 0.465 -4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.097 -0.992 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.930 0.779 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.820 0.016 -6.369 1.00 0.00 H new ATOM 245 N GLY A 96 -4.352 2.623 -10.022 1.00 0.00 N ATOM 246 CA GLY A 96 -3.984 3.818 -10.765 1.00 0.00 C ATOM 247 C GLY A 96 -5.094 4.301 -11.681 1.00 0.00 C ATOM 248 O GLY A 96 -5.100 5.455 -12.112 1.00 0.00 O ATOM 0 H GLY A 96 -3.835 1.782 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.725 4.612 -10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.092 3.613 -11.358 1.00 0.00 H new ATOM 252 N GLU A 97 -6.037 3.417 -11.966 1.00 0.00 N ATOM 253 CA GLU A 97 -7.153 3.733 -12.845 1.00 0.00 C ATOM 254 C GLU A 97 -8.272 4.417 -12.067 1.00 0.00 C ATOM 255 O GLU A 97 -9.168 5.030 -12.652 1.00 0.00 O ATOM 256 CB GLU A 97 -7.684 2.451 -13.485 1.00 0.00 C ATOM 257 CG GLU A 97 -6.641 1.683 -14.279 1.00 0.00 C ATOM 258 CD GLU A 97 -6.237 2.386 -15.558 1.00 0.00 C ATOM 259 OE1 GLU A 97 -6.992 2.301 -16.551 1.00 0.00 O ATOM 260 OE2 GLU A 97 -5.151 3.002 -15.593 1.00 0.00 O ATOM 0 H GLU A 97 -6.051 2.466 -11.598 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.802 4.412 -13.622 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.081 1.803 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.515 2.702 -14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.758 1.533 -13.658 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.032 0.695 -14.522 1.00 0.00 H new ATOM 267 N SER A 98 -8.212 4.309 -10.748 1.00 0.00 N ATOM 268 CA SER A 98 -9.250 4.844 -9.884 1.00 0.00 C ATOM 269 C SER A 98 -9.105 6.349 -9.722 1.00 0.00 C ATOM 270 O SER A 98 -8.071 6.840 -9.265 1.00 0.00 O ATOM 271 CB SER A 98 -9.189 4.168 -8.515 1.00 0.00 C ATOM 272 OG SER A 98 -10.147 4.718 -7.624 1.00 0.00 O ATOM 0 H SER A 98 -7.448 3.851 -10.251 1.00 0.00 H new ATOM 0 HA SER A 98 -10.216 4.641 -10.347 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.366 3.098 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.190 4.283 -8.094 1.00 0.00 H new ATOM 0 HG SER A 98 -10.764 4.015 -7.332 1.00 0.00 H new ATOM 278 N ALA A 99 -10.154 7.075 -10.087 1.00 0.00 N ATOM 279 CA ALA A 99 -10.177 8.521 -9.946 1.00 0.00 C ATOM 280 C ALA A 99 -10.240 8.911 -8.474 1.00 0.00 C ATOM 281 O ALA A 99 -9.808 9.996 -8.087 1.00 0.00 O ATOM 282 CB ALA A 99 -11.360 9.106 -10.703 1.00 0.00 C ATOM 0 H ALA A 99 -11.006 6.680 -10.486 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.259 8.927 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.365 10.190 -10.589 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.277 8.853 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.287 8.695 -10.303 1.00 0.00 H new ATOM 288 N THR A 100 -10.770 8.009 -7.659 1.00 0.00 N ATOM 289 CA THR A 100 -10.874 8.237 -6.227 1.00 0.00 C ATOM 290 C THR A 100 -9.507 8.141 -5.560 1.00 0.00 C ATOM 291 O THR A 100 -9.135 8.992 -4.747 1.00 0.00 O ATOM 292 CB THR A 100 -11.820 7.215 -5.566 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.136 7.331 -6.124 1.00 0.00 O ATOM 294 CG2 THR A 100 -11.873 7.423 -4.057 1.00 0.00 C ATOM 0 H THR A 100 -11.136 7.109 -7.969 1.00 0.00 H new ATOM 0 HA THR A 100 -11.277 9.241 -6.092 1.00 0.00 H new ATOM 0 HB THR A 100 -11.435 6.214 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.730 6.677 -5.700 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.547 6.691 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.875 7.300 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.236 8.428 -3.841 1.00 0.00 H new ATOM 302 N LEU A 101 -8.753 7.115 -5.928 1.00 0.00 N ATOM 303 CA LEU A 101 -7.497 6.825 -5.260 1.00 0.00 C ATOM 304 C LEU A 101 -6.461 7.889 -5.576 1.00 0.00 C ATOM 305 O LEU A 101 -5.856 8.463 -4.682 1.00 0.00 O ATOM 306 CB LEU A 101 -6.973 5.449 -5.661 1.00 0.00 C ATOM 307 CG LEU A 101 -5.756 4.979 -4.869 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.104 4.833 -3.398 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.227 3.674 -5.427 1.00 0.00 C ATOM 0 H LEU A 101 -8.990 6.472 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.682 6.826 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.774 4.720 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.717 5.467 -6.720 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.972 5.731 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.225 4.497 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.433 5.795 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.904 4.102 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.360 3.356 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.003 2.911 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.937 3.814 -6.468 1.00 0.00 H new ATOM 321 N ARG A 102 -6.274 8.170 -6.849 1.00 0.00 N ATOM 322 CA ARG A 102 -5.311 9.183 -7.253 1.00 0.00 C ATOM 323 C ARG A 102 -5.647 10.538 -6.628 1.00 0.00 C ATOM 324 O ARG A 102 -4.759 11.338 -6.353 1.00 0.00 O ATOM 325 CB ARG A 102 -5.278 9.307 -8.770 1.00 0.00 C ATOM 326 CG ARG A 102 -6.654 9.491 -9.375 1.00 0.00 C ATOM 327 CD ARG A 102 -6.568 9.913 -10.829 1.00 0.00 C ATOM 328 NE ARG A 102 -5.890 8.910 -11.645 1.00 0.00 N ATOM 329 CZ ARG A 102 -5.919 8.887 -12.976 1.00 0.00 C ATOM 330 NH1 ARG A 102 -6.554 9.843 -13.647 1.00 0.00 N ATOM 331 NH2 ARG A 102 -5.303 7.912 -13.631 1.00 0.00 N ATOM 0 H ARG A 102 -6.769 7.718 -7.618 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.328 8.873 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.649 10.153 -9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.817 8.414 -9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.215 8.559 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.205 10.242 -8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.572 10.081 -11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.035 10.861 -10.901 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.361 8.181 -11.166 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.021 10.597 -13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.575 9.823 -14.667 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.809 7.183 -13.115 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.323 7.891 -14.651 1.00 0.00 H new ATOM 345 N SER A 103 -6.936 10.767 -6.382 1.00 0.00 N ATOM 346 CA SER A 103 -7.408 12.024 -5.824 1.00 0.00 C ATOM 347 C SER A 103 -6.821 12.266 -4.436 1.00 0.00 C ATOM 348 O SER A 103 -6.396 13.376 -4.122 1.00 0.00 O ATOM 349 CB SER A 103 -8.940 12.030 -5.760 1.00 0.00 C ATOM 350 OG SER A 103 -9.435 13.275 -5.297 1.00 0.00 O ATOM 0 H SER A 103 -7.675 10.088 -6.564 1.00 0.00 H new ATOM 0 HA SER A 103 -7.075 12.831 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.347 11.820 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.281 11.233 -5.099 1.00 0.00 H new ATOM 0 HG SER A 103 -10.414 13.248 -5.269 1.00 0.00 H new ATOM 356 N LEU A 104 -6.776 11.233 -3.601 1.00 0.00 N ATOM 357 CA LEU A 104 -6.253 11.416 -2.252 1.00 0.00 C ATOM 358 C LEU A 104 -4.741 11.222 -2.187 1.00 0.00 C ATOM 359 O LEU A 104 -4.099 11.657 -1.234 1.00 0.00 O ATOM 360 CB LEU A 104 -7.004 10.586 -1.202 1.00 0.00 C ATOM 361 CG LEU A 104 -7.595 9.274 -1.671 1.00 0.00 C ATOM 362 CD1 LEU A 104 -6.493 8.292 -1.907 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.573 8.741 -0.644 1.00 0.00 C ATOM 0 H LEU A 104 -7.085 10.287 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.441 12.458 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.319 10.377 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.810 11.198 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.137 9.433 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.915 7.346 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.817 8.680 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.942 8.133 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.990 7.797 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.056 8.580 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.378 9.462 -0.499 1.00 0.00 H new ATOM 375 N LEU A 105 -4.160 10.611 -3.214 1.00 0.00 N ATOM 376 CA LEU A 105 -2.707 10.547 -3.340 1.00 0.00 C ATOM 377 C LEU A 105 -2.136 11.925 -3.643 1.00 0.00 C ATOM 378 O LEU A 105 -0.925 12.142 -3.578 1.00 0.00 O ATOM 379 CB LEU A 105 -2.304 9.570 -4.441 1.00 0.00 C ATOM 380 CG LEU A 105 -2.059 8.138 -3.978 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.311 7.527 -3.383 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.550 7.295 -5.130 1.00 0.00 C ATOM 0 H LEU A 105 -4.671 10.154 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.302 10.195 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.085 9.561 -5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.398 9.940 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.300 8.162 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.101 6.506 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.631 8.117 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.102 7.517 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.379 6.275 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.289 7.289 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.615 7.714 -5.502 1.00 0.00 H new ATOM 394 N LEU A 106 -3.022 12.848 -3.984 1.00 0.00 N ATOM 395 CA LEU A 106 -2.644 14.221 -4.265 1.00 0.00 C ATOM 396 C LEU A 106 -2.281 14.958 -2.977 1.00 0.00 C ATOM 397 O LEU A 106 -1.635 16.004 -3.011 1.00 0.00 O ATOM 398 CB LEU A 106 -3.784 14.932 -4.982 1.00 0.00 C ATOM 399 CG LEU A 106 -4.216 14.282 -6.297 1.00 0.00 C ATOM 400 CD1 LEU A 106 -5.353 15.062 -6.921 1.00 0.00 C ATOM 401 CD2 LEU A 106 -3.047 14.177 -7.267 1.00 0.00 C ATOM 0 H LEU A 106 -4.021 12.665 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.765 14.217 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.644 14.975 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.484 15.961 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.562 13.272 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.650 14.587 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.202 15.078 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.028 16.083 -7.120 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.383 13.711 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.661 15.174 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.258 13.571 -6.822 1.00 0.00 H new ATOM 413 N ASN A 107 -2.700 14.402 -1.842 1.00 0.00 N ATOM 414 CA ASN A 107 -2.355 14.968 -0.543 1.00 0.00 C ATOM 415 C ASN A 107 -0.877 14.740 -0.262 1.00 0.00 C ATOM 416 O ASN A 107 -0.417 13.597 -0.196 1.00 0.00 O ATOM 417 CB ASN A 107 -3.182 14.339 0.588 1.00 0.00 C ATOM 418 CG ASN A 107 -4.666 14.628 0.482 1.00 0.00 C ATOM 419 OD1 ASN A 107 -5.141 15.681 0.904 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.411 13.676 -0.037 1.00 0.00 N ATOM 0 H ASN A 107 -3.277 13.562 -1.797 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.576 16.035 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.028 13.260 0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.815 14.709 1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.422 13.797 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.978 12.817 -0.376 1.00 0.00 H new ATOM 427 N PRO A 108 -0.115 15.837 -0.103 1.00 0.00 N ATOM 428 CA PRO A 108 1.331 15.779 0.140 1.00 0.00 C ATOM 429 C PRO A 108 1.693 14.907 1.335 1.00 0.00 C ATOM 430 O PRO A 108 2.744 14.269 1.347 1.00 0.00 O ATOM 431 CB PRO A 108 1.712 17.236 0.413 1.00 0.00 C ATOM 432 CG PRO A 108 0.654 18.039 -0.258 1.00 0.00 C ATOM 433 CD PRO A 108 -0.606 17.228 -0.158 1.00 0.00 C ATOM 0 HA PRO A 108 1.859 15.336 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 108 1.746 17.442 1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.699 17.468 0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.534 19.008 0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.912 18.232 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.181 17.487 0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.257 17.390 -1.017 1.00 0.00 H new ATOM 441 N HIS A 109 0.822 14.872 2.335 1.00 0.00 N ATOM 442 CA HIS A 109 1.071 14.072 3.523 1.00 0.00 C ATOM 443 C HIS A 109 0.935 12.584 3.214 1.00 0.00 C ATOM 444 O HIS A 109 1.821 11.793 3.542 1.00 0.00 O ATOM 445 CB HIS A 109 0.118 14.465 4.653 1.00 0.00 C ATOM 446 CG HIS A 109 0.349 13.696 5.916 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.184 14.164 6.901 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.139 12.490 6.283 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.188 13.232 7.840 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.400 12.203 7.511 1.00 0.00 N ATOM 0 H HIS A 109 -0.059 15.386 2.346 1.00 0.00 H new ATOM 0 HA HIS A 109 2.093 14.266 3.848 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.229 15.530 4.859 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.909 14.309 4.323 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.821 11.872 5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.756 13.294 8.756 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.232 11.365 8.067 1.00 0.00 H new ATOM 458 N LEU A 110 -0.169 12.209 2.574 1.00 0.00 N ATOM 459 CA LEU A 110 -0.443 10.812 2.285 1.00 0.00 C ATOM 460 C LEU A 110 0.604 10.232 1.345 1.00 0.00 C ATOM 461 O LEU A 110 1.095 9.120 1.556 1.00 0.00 O ATOM 462 CB LEU A 110 -1.837 10.658 1.677 1.00 0.00 C ATOM 463 CG LEU A 110 -2.140 9.271 1.113 1.00 0.00 C ATOM 464 CD1 LEU A 110 -1.986 8.205 2.188 1.00 0.00 C ATOM 465 CD2 LEU A 110 -3.537 9.231 0.520 1.00 0.00 C ATOM 0 H LEU A 110 -0.886 12.856 2.247 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.402 10.260 3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.579 10.895 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.954 11.392 0.880 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.422 9.061 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.207 7.226 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.964 8.215 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.677 8.410 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.735 8.235 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.268 9.465 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.612 9.964 -0.284 1.00 0.00 H new ATOM 477 N ARG A 111 0.963 10.993 0.321 1.00 0.00 N ATOM 478 CA ARG A 111 1.928 10.516 -0.660 1.00 0.00 C ATOM 479 C ARG A 111 3.298 10.346 -0.011 1.00 0.00 C ATOM 480 O ARG A 111 4.072 9.469 -0.392 1.00 0.00 O ATOM 481 CB ARG A 111 2.006 11.451 -1.871 1.00 0.00 C ATOM 482 CG ARG A 111 2.656 12.796 -1.602 1.00 0.00 C ATOM 483 CD ARG A 111 2.692 13.640 -2.863 1.00 0.00 C ATOM 484 NE ARG A 111 3.382 14.910 -2.665 1.00 0.00 N ATOM 485 CZ ARG A 111 3.498 15.842 -3.606 1.00 0.00 C ATOM 486 NH1 ARG A 111 2.970 15.648 -4.808 1.00 0.00 N ATOM 487 NH2 ARG A 111 4.144 16.970 -3.347 1.00 0.00 N ATOM 0 H ARG A 111 0.606 11.933 0.148 1.00 0.00 H new ATOM 0 HA ARG A 111 1.591 9.545 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.560 10.949 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.997 11.621 -2.246 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.104 13.322 -0.823 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.670 12.647 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.187 13.081 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.672 13.832 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 111 3.799 15.093 -1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.473 14.781 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.061 16.366 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.553 17.124 -2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.233 17.684 -4.070 1.00 0.00 H new ATOM 501 N GLN A 112 3.579 11.170 0.994 1.00 0.00 N ATOM 502 CA GLN A 112 4.815 11.045 1.747 1.00 0.00 C ATOM 503 C GLN A 112 4.775 9.817 2.644 1.00 0.00 C ATOM 504 O GLN A 112 5.772 9.113 2.775 1.00 0.00 O ATOM 505 CB GLN A 112 5.095 12.306 2.567 1.00 0.00 C ATOM 506 CG GLN A 112 5.718 13.427 1.750 1.00 0.00 C ATOM 507 CD GLN A 112 7.211 13.247 1.520 1.00 0.00 C ATOM 508 OE1 GLN A 112 7.687 12.013 1.561 1.00 0.00 O flip ATOM 509 NE2 GLN A 112 7.938 14.219 1.329 1.00 0.00 N flip ATOM 0 H GLN A 112 2.969 11.927 1.302 1.00 0.00 H new ATOM 0 HA GLN A 112 5.630 10.924 1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.162 12.660 3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.760 12.054 3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.214 13.488 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.548 14.376 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.539 15.157 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.941 14.088 1.196 1.00 0.00 H new ATOM 518 N LEU A 113 3.620 9.551 3.247 1.00 0.00 N ATOM 519 CA LEU A 113 3.443 8.341 4.042 1.00 0.00 C ATOM 520 C LEU A 113 3.746 7.113 3.194 1.00 0.00 C ATOM 521 O LEU A 113 4.533 6.251 3.588 1.00 0.00 O ATOM 522 CB LEU A 113 2.016 8.238 4.590 1.00 0.00 C ATOM 523 CG LEU A 113 1.641 9.243 5.684 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.194 9.043 6.100 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.557 9.092 6.889 1.00 0.00 C ATOM 0 H LEU A 113 2.798 10.153 3.201 1.00 0.00 H new ATOM 0 HA LEU A 113 4.134 8.391 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.320 8.359 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.871 7.232 4.984 1.00 0.00 H new ATOM 0 HG LEU A 113 1.761 10.250 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.064 9.762 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.456 9.192 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.062 8.031 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.274 9.815 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.466 8.083 7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.589 9.270 6.586 1.00 0.00 H new ATOM 537 N MET A 114 3.130 7.065 2.019 1.00 0.00 N ATOM 538 CA MET A 114 3.319 5.966 1.081 1.00 0.00 C ATOM 539 C MET A 114 4.796 5.733 0.766 1.00 0.00 C ATOM 540 O MET A 114 5.310 4.628 0.957 1.00 0.00 O ATOM 541 CB MET A 114 2.545 6.241 -0.210 1.00 0.00 C ATOM 542 CG MET A 114 1.078 5.834 -0.152 1.00 0.00 C ATOM 543 SD MET A 114 0.138 6.448 -1.563 1.00 0.00 S ATOM 544 CE MET A 114 1.057 5.733 -2.922 1.00 0.00 C ATOM 0 H MET A 114 2.487 7.785 1.690 1.00 0.00 H new ATOM 0 HA MET A 114 2.935 5.061 1.552 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.607 7.305 -0.439 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.027 5.709 -1.031 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.006 4.747 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.635 6.213 0.769 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.586 6.009 -3.865 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.081 6.106 -2.905 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.065 4.647 -2.824 1.00 0.00 H new ATOM 554 N VAL A 115 5.484 6.774 0.305 1.00 0.00 N ATOM 555 CA VAL A 115 6.883 6.641 -0.102 1.00 0.00 C ATOM 556 C VAL A 115 7.795 6.343 1.085 1.00 0.00 C ATOM 557 O VAL A 115 8.874 5.785 0.918 1.00 0.00 O ATOM 558 CB VAL A 115 7.395 7.895 -0.841 1.00 0.00 C ATOM 559 CG1 VAL A 115 6.597 8.130 -2.112 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.346 9.116 0.056 1.00 0.00 C ATOM 0 H VAL A 115 5.100 7.714 0.204 1.00 0.00 H new ATOM 0 HA VAL A 115 6.915 5.796 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 115 8.436 7.722 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.973 9.019 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.698 7.267 -2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.546 8.273 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.713 9.984 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.318 9.294 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.972 8.949 0.933 1.00 0.00 H new ATOM 570 N ASN A 116 7.357 6.719 2.277 1.00 0.00 N ATOM 571 CA ASN A 116 8.106 6.443 3.500 1.00 0.00 C ATOM 572 C ASN A 116 8.039 4.969 3.848 1.00 0.00 C ATOM 573 O ASN A 116 9.019 4.375 4.299 1.00 0.00 O ATOM 574 CB ASN A 116 7.550 7.260 4.667 1.00 0.00 C ATOM 575 CG ASN A 116 8.116 8.660 4.733 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.261 8.903 4.353 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.313 9.594 5.214 1.00 0.00 N ATOM 0 H ASN A 116 6.481 7.220 2.427 1.00 0.00 H new ATOM 0 HA ASN A 116 9.145 6.724 3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.465 7.317 4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.767 6.742 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.636 10.559 5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.371 9.349 5.518 1.00 0.00 H new ATOM 584 N LEU A 117 6.874 4.385 3.633 1.00 0.00 N ATOM 585 CA LEU A 117 6.648 2.982 3.957 1.00 0.00 C ATOM 586 C LEU A 117 7.462 2.070 3.069 1.00 0.00 C ATOM 587 O LEU A 117 8.055 1.100 3.532 1.00 0.00 O ATOM 588 CB LEU A 117 5.180 2.629 3.806 1.00 0.00 C ATOM 589 CG LEU A 117 4.619 1.917 5.011 1.00 0.00 C ATOM 590 CD1 LEU A 117 3.109 1.769 4.909 1.00 0.00 C ATOM 591 CD2 LEU A 117 5.266 0.560 5.206 1.00 0.00 C ATOM 0 H LEU A 117 6.065 4.860 3.234 1.00 0.00 H new ATOM 0 HA LEU A 117 6.959 2.838 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.609 3.541 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.052 1.999 2.926 1.00 0.00 H new ATOM 0 HG LEU A 117 4.848 2.531 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.734 1.252 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.650 2.756 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.859 1.193 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.838 0.075 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.087 -0.058 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.339 0.686 5.349 1.00 0.00 H new ATOM 603 N ASP A 118 7.472 2.395 1.792 1.00 0.00 N ATOM 604 CA ASP A 118 8.213 1.614 0.800 1.00 0.00 C ATOM 605 C ASP A 118 9.703 1.623 1.115 1.00 0.00 C ATOM 606 O ASP A 118 10.463 0.775 0.638 1.00 0.00 O ATOM 607 CB ASP A 118 7.966 2.153 -0.613 1.00 0.00 C ATOM 608 CG ASP A 118 8.717 1.373 -1.679 1.00 0.00 C ATOM 609 OD1 ASP A 118 9.724 1.893 -2.203 1.00 0.00 O ATOM 610 OD2 ASP A 118 8.315 0.226 -1.988 1.00 0.00 O ATOM 0 H ASP A 118 6.975 3.198 1.407 1.00 0.00 H new ATOM 0 HA ASP A 118 7.854 0.586 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.898 2.119 -0.829 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.267 3.200 -0.656 1.00 0.00 H new ATOM 615 N GLN A 119 10.116 2.558 1.961 1.00 0.00 N ATOM 616 CA GLN A 119 11.510 2.639 2.361 1.00 0.00 C ATOM 617 C GLN A 119 11.815 1.521 3.333 1.00 0.00 C ATOM 618 O GLN A 119 12.933 1.013 3.393 1.00 0.00 O ATOM 619 CB GLN A 119 11.811 3.989 2.998 1.00 0.00 C ATOM 620 CG GLN A 119 11.540 5.141 2.061 1.00 0.00 C ATOM 621 CD GLN A 119 11.852 6.491 2.668 1.00 0.00 C ATOM 622 OE1 GLN A 119 12.725 6.616 3.524 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.132 7.509 2.229 1.00 0.00 N ATOM 0 H GLN A 119 9.510 3.264 2.379 1.00 0.00 H new ATOM 0 HA GLN A 119 12.140 2.536 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.207 4.106 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.855 4.016 3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.133 5.011 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.492 5.118 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.417 7.359 1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.291 8.445 2.602 1.00 0.00 H new ATOM 632 N GLY A 120 10.784 1.137 4.073 1.00 0.00 N ATOM 633 CA GLY A 120 10.855 -0.032 4.930 1.00 0.00 C ATOM 634 C GLY A 120 11.841 0.103 6.072 1.00 0.00 C ATOM 635 O GLY A 120 12.194 -0.894 6.700 1.00 0.00 O ATOM 0 H GLY A 120 9.887 1.622 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.865 -0.231 5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 120 11.130 -0.897 4.326 1.00 0.00 H new ATOM 639 N GLU A 121 12.282 1.327 6.346 1.00 0.00 N ATOM 640 CA GLU A 121 13.242 1.580 7.416 1.00 0.00 C ATOM 641 C GLU A 121 12.720 1.022 8.733 1.00 0.00 C ATOM 642 O GLU A 121 13.372 0.211 9.391 1.00 0.00 O ATOM 643 CB GLU A 121 13.496 3.084 7.547 1.00 0.00 C ATOM 644 CG GLU A 121 14.010 3.726 6.269 1.00 0.00 C ATOM 645 CD GLU A 121 15.324 3.133 5.811 1.00 0.00 C ATOM 646 OE1 GLU A 121 15.313 2.279 4.900 1.00 0.00 O ATOM 647 OE2 GLU A 121 16.378 3.512 6.368 1.00 0.00 O ATOM 0 H GLU A 121 11.989 2.162 5.840 1.00 0.00 H new ATOM 0 HA GLU A 121 14.180 1.082 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.570 3.576 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.218 3.254 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 121 13.266 3.606 5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 121 14.134 4.797 6.429 1.00 0.00 H new ATOM 654 N ASP A 122 11.526 1.453 9.090 1.00 0.00 N ATOM 655 CA ASP A 122 10.837 0.953 10.266 1.00 0.00 C ATOM 656 C ASP A 122 9.393 0.674 9.907 1.00 0.00 C ATOM 657 O ASP A 122 8.463 1.204 10.516 1.00 0.00 O ATOM 658 CB ASP A 122 10.919 1.959 11.415 1.00 0.00 C ATOM 659 CG ASP A 122 12.315 2.094 11.993 1.00 0.00 C ATOM 660 OD1 ASP A 122 12.627 1.383 12.971 1.00 0.00 O ATOM 661 OD2 ASP A 122 13.098 2.928 11.492 1.00 0.00 O ATOM 0 H ASP A 122 11.005 2.161 8.573 1.00 0.00 H new ATOM 0 HA ASP A 122 11.316 0.032 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 122 10.584 2.934 11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.233 1.654 12.206 1.00 0.00 H new ATOM 666 N LYS A 123 9.233 -0.159 8.884 1.00 0.00 N ATOM 667 CA LYS A 123 7.922 -0.558 8.376 1.00 0.00 C ATOM 668 C LYS A 123 6.998 -1.034 9.494 1.00 0.00 C ATOM 669 O LYS A 123 5.785 -0.865 9.407 1.00 0.00 O ATOM 670 CB LYS A 123 8.066 -1.666 7.318 1.00 0.00 C ATOM 671 CG LYS A 123 8.598 -2.993 7.856 1.00 0.00 C ATOM 672 CD LYS A 123 10.088 -2.934 8.165 1.00 0.00 C ATOM 673 CE LYS A 123 10.554 -4.157 8.935 1.00 0.00 C ATOM 674 NZ LYS A 123 10.283 -5.421 8.201 1.00 0.00 N ATOM 0 H LYS A 123 10.013 -0.580 8.380 1.00 0.00 H new ATOM 0 HA LYS A 123 7.474 0.325 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 123 7.093 -1.839 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 123 8.733 -1.314 6.531 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.052 -3.261 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.411 -3.780 7.125 1.00 0.00 H new ATOM 0 HD2 LYS A 123 10.649 -2.855 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 123 10.304 -2.036 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 123 11.623 -4.075 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 123 10.054 -4.187 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.693 -6.221 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.256 -5.556 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.710 -5.371 7.254 1.00 0.00 H new ATOM 688 N ALA A 124 7.576 -1.613 10.545 1.00 0.00 N ATOM 689 CA ALA A 124 6.785 -2.136 11.647 1.00 0.00 C ATOM 690 C ALA A 124 5.993 -1.028 12.327 1.00 0.00 C ATOM 691 O ALA A 124 4.773 -1.121 12.466 1.00 0.00 O ATOM 692 CB ALA A 124 7.666 -2.853 12.656 1.00 0.00 C ATOM 0 H ALA A 124 8.584 -1.729 10.653 1.00 0.00 H new ATOM 0 HA ALA A 124 6.079 -2.856 11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.050 -3.235 13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.177 -3.683 12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.404 -2.157 13.055 1.00 0.00 H new ATOM 698 N LYS A 125 6.680 0.036 12.730 1.00 0.00 N ATOM 699 CA LYS A 125 6.014 1.133 13.411 1.00 0.00 C ATOM 700 C LYS A 125 5.227 1.979 12.417 1.00 0.00 C ATOM 701 O LYS A 125 4.213 2.568 12.773 1.00 0.00 O ATOM 702 CB LYS A 125 7.008 1.999 14.198 1.00 0.00 C ATOM 703 CG LYS A 125 7.892 2.893 13.342 1.00 0.00 C ATOM 704 CD LYS A 125 8.845 3.707 14.203 1.00 0.00 C ATOM 705 CE LYS A 125 9.656 4.693 13.378 1.00 0.00 C ATOM 706 NZ LYS A 125 10.602 5.472 14.218 1.00 0.00 N ATOM 0 H LYS A 125 7.684 0.159 12.598 1.00 0.00 H new ATOM 0 HA LYS A 125 5.317 0.703 14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 125 6.451 2.624 14.896 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.645 1.346 14.794 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.462 2.283 12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.270 3.563 12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 125 8.277 4.248 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 125 9.521 3.034 14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 125 10.211 4.154 12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 125 8.981 5.376 12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.136 6.133 13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 10.071 6.007 14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.263 4.822 14.690 1.00 0.00 H new ATOM 720 N LEU A 126 5.685 2.020 11.163 1.00 0.00 N ATOM 721 CA LEU A 126 4.980 2.765 10.130 1.00 0.00 C ATOM 722 C LEU A 126 3.605 2.158 9.882 1.00 0.00 C ATOM 723 O LEU A 126 2.607 2.865 9.884 1.00 0.00 O ATOM 724 CB LEU A 126 5.794 2.800 8.832 1.00 0.00 C ATOM 725 CG LEU A 126 7.119 3.565 8.911 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.868 3.470 7.592 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.898 5.023 9.286 1.00 0.00 C ATOM 0 H LEU A 126 6.533 1.550 10.846 1.00 0.00 H new ATOM 0 HA LEU A 126 4.850 3.790 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.003 1.775 8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.181 3.248 8.050 1.00 0.00 H new ATOM 0 HG LEU A 126 7.721 3.104 9.694 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.807 4.019 7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 126 8.076 2.424 7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.259 3.899 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.858 5.536 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.268 5.500 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.409 5.078 10.259 1.00 0.00 H new ATOM 739 N MET A 127 3.553 0.843 9.707 1.00 0.00 N ATOM 740 CA MET A 127 2.286 0.146 9.482 1.00 0.00 C ATOM 741 C MET A 127 1.259 0.500 10.551 1.00 0.00 C ATOM 742 O MET A 127 0.083 0.700 10.256 1.00 0.00 O ATOM 743 CB MET A 127 2.502 -1.368 9.475 1.00 0.00 C ATOM 744 CG MET A 127 3.054 -1.915 8.167 1.00 0.00 C ATOM 745 SD MET A 127 1.767 -2.570 7.080 1.00 0.00 S ATOM 746 CE MET A 127 0.786 -1.107 6.746 1.00 0.00 C ATOM 0 H MET A 127 4.372 0.235 9.716 1.00 0.00 H new ATOM 0 HA MET A 127 1.906 0.467 8.512 1.00 0.00 H new ATOM 0 HB2 MET A 127 3.186 -1.629 10.282 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.553 -1.860 9.689 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.594 -1.124 7.647 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.775 -2.703 8.384 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.057 -1.328 5.966 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.265 -0.803 7.654 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.438 -0.299 6.414 1.00 0.00 H new ATOM 756 N ARG A 128 1.721 0.595 11.786 1.00 0.00 N ATOM 757 CA ARG A 128 0.844 0.876 12.913 1.00 0.00 C ATOM 758 C ARG A 128 0.512 2.363 12.989 1.00 0.00 C ATOM 759 O ARG A 128 -0.644 2.745 13.173 1.00 0.00 O ATOM 760 CB ARG A 128 1.519 0.423 14.204 1.00 0.00 C ATOM 761 CG ARG A 128 1.996 -1.018 14.157 1.00 0.00 C ATOM 762 CD ARG A 128 2.823 -1.371 15.380 1.00 0.00 C ATOM 763 NE ARG A 128 3.492 -2.660 15.230 1.00 0.00 N ATOM 764 CZ ARG A 128 4.652 -2.966 15.809 1.00 0.00 C ATOM 765 NH1 ARG A 128 5.250 -2.095 16.613 1.00 0.00 N ATOM 766 NH2 ARG A 128 5.213 -4.148 15.592 1.00 0.00 N ATOM 0 H ARG A 128 2.703 0.481 12.036 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.089 0.329 12.776 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.369 1.074 14.409 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.820 0.541 15.032 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.136 -1.685 14.093 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.590 -1.176 13.257 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.567 -0.593 15.552 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.179 -1.396 16.259 1.00 0.00 H new ATOM 0 HE ARG A 128 3.045 -3.368 14.648 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.821 -1.187 16.790 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.138 -2.334 17.054 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.756 -4.825 14.981 1.00 0.00 H new ATOM 0 HH22 ARG A 128 6.101 -4.380 16.036 1.00 0.00 H new ATOM 780 N ALA A 129 1.532 3.197 12.824 1.00 0.00 N ATOM 781 CA ALA A 129 1.376 4.641 12.936 1.00 0.00 C ATOM 782 C ALA A 129 0.555 5.209 11.787 1.00 0.00 C ATOM 783 O ALA A 129 -0.088 6.241 11.934 1.00 0.00 O ATOM 784 CB ALA A 129 2.736 5.316 12.995 1.00 0.00 C ATOM 0 H ALA A 129 2.482 2.894 12.611 1.00 0.00 H new ATOM 0 HA ALA A 129 0.836 4.844 13.861 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.603 6.395 13.079 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.287 4.950 13.861 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.295 5.088 12.087 1.00 0.00 H new ATOM 790 N TYR A 130 0.572 4.538 10.647 1.00 0.00 N ATOM 791 CA TYR A 130 -0.156 5.019 9.477 1.00 0.00 C ATOM 792 C TYR A 130 -1.647 4.743 9.611 1.00 0.00 C ATOM 793 O TYR A 130 -2.476 5.489 9.096 1.00 0.00 O ATOM 794 CB TYR A 130 0.374 4.370 8.196 1.00 0.00 C ATOM 795 CG TYR A 130 1.755 4.827 7.771 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.190 4.627 6.470 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.626 5.448 8.658 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.442 5.029 6.067 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.883 5.849 8.259 1.00 0.00 C ATOM 800 CZ TYR A 130 4.284 5.635 6.964 1.00 0.00 C ATOM 801 OH TYR A 130 5.527 6.045 6.557 1.00 0.00 O ATOM 0 H TYR A 130 1.078 3.664 10.504 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.001 6.096 9.416 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.392 3.289 8.335 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.326 4.576 7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 130 1.533 4.147 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 130 2.313 5.619 9.677 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.761 4.868 5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.548 6.329 8.961 1.00 0.00 H new ATOM 0 HH TYR A 130 5.802 6.826 7.081 1.00 0.00 H new ATOM 811 N MET A 131 -1.988 3.680 10.328 1.00 0.00 N ATOM 812 CA MET A 131 -3.380 3.255 10.442 1.00 0.00 C ATOM 813 C MET A 131 -4.169 4.142 11.401 1.00 0.00 C ATOM 814 O MET A 131 -5.372 3.955 11.582 1.00 0.00 O ATOM 815 CB MET A 131 -3.460 1.795 10.892 1.00 0.00 C ATOM 816 CG MET A 131 -3.005 0.792 9.839 1.00 0.00 C ATOM 817 SD MET A 131 -4.327 0.254 8.722 1.00 0.00 S ATOM 818 CE MET A 131 -4.706 1.758 7.823 1.00 0.00 C ATOM 0 H MET A 131 -1.324 3.097 10.838 1.00 0.00 H new ATOM 0 HA MET A 131 -3.830 3.351 9.454 1.00 0.00 H new ATOM 0 HB2 MET A 131 -2.850 1.668 11.786 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.489 1.569 11.173 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.203 1.236 9.250 1.00 0.00 H new ATOM 0 HG3 MET A 131 -2.587 -0.081 10.339 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.139 1.504 6.855 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.418 2.354 8.394 1.00 0.00 H new ATOM 0 HE3 MET A 131 -3.792 2.332 7.672 1.00 0.00 H new ATOM 828 N GLN A 132 -3.496 5.102 12.020 1.00 0.00 N ATOM 829 CA GLN A 132 -4.174 6.046 12.897 1.00 0.00 C ATOM 830 C GLN A 132 -4.337 7.392 12.204 1.00 0.00 C ATOM 831 O GLN A 132 -5.021 8.286 12.704 1.00 0.00 O ATOM 832 CB GLN A 132 -3.407 6.217 14.206 1.00 0.00 C ATOM 833 CG GLN A 132 -2.033 6.827 14.025 1.00 0.00 C ATOM 834 CD GLN A 132 -1.294 7.014 15.328 1.00 0.00 C ATOM 835 OE1 GLN A 132 -1.481 6.262 16.284 1.00 0.00 O ATOM 836 NE2 GLN A 132 -0.442 8.019 15.369 1.00 0.00 N ATOM 0 H GLN A 132 -2.490 5.247 11.933 1.00 0.00 H new ATOM 0 HA GLN A 132 -5.162 5.647 13.127 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.989 6.846 14.880 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -3.304 5.244 14.687 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.442 6.190 13.367 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.133 7.792 13.528 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.319 8.617 14.552 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.094 8.199 16.218 1.00 0.00 H new ATOM 845 N GLU A 133 -3.713 7.532 11.042 1.00 0.00 N ATOM 846 CA GLU A 133 -3.770 8.773 10.297 1.00 0.00 C ATOM 847 C GLU A 133 -4.880 8.689 9.269 1.00 0.00 C ATOM 848 O GLU A 133 -4.843 7.836 8.381 1.00 0.00 O ATOM 849 CB GLU A 133 -2.438 9.047 9.595 1.00 0.00 C ATOM 850 CG GLU A 133 -1.230 8.714 10.448 1.00 0.00 C ATOM 851 CD GLU A 133 0.053 9.329 9.931 1.00 0.00 C ATOM 852 OE1 GLU A 133 1.088 8.633 9.915 1.00 0.00 O ATOM 853 OE2 GLU A 133 0.038 10.520 9.555 1.00 0.00 O ATOM 0 H GLU A 133 -3.162 6.797 10.598 1.00 0.00 H new ATOM 0 HA GLU A 133 -3.967 9.590 10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.395 8.466 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.395 10.098 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.406 9.060 11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -1.113 7.631 10.494 1.00 0.00 H new ATOM 860 N PRO A 134 -5.883 9.574 9.369 1.00 0.00 N ATOM 861 CA PRO A 134 -7.038 9.571 8.467 1.00 0.00 C ATOM 862 C PRO A 134 -6.625 9.732 7.014 1.00 0.00 C ATOM 863 O PRO A 134 -7.362 9.351 6.110 1.00 0.00 O ATOM 864 CB PRO A 134 -7.876 10.768 8.932 1.00 0.00 C ATOM 865 CG PRO A 134 -6.952 11.603 9.749 1.00 0.00 C ATOM 866 CD PRO A 134 -5.970 10.652 10.366 1.00 0.00 C ATOM 0 HA PRO A 134 -7.583 8.628 8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.265 11.329 8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.735 10.442 9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.443 12.342 9.130 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.498 12.152 10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -5.002 11.124 10.535 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.317 10.283 11.331 1.00 0.00 H new ATOM 874 N LEU A 135 -5.432 10.276 6.803 1.00 0.00 N ATOM 875 CA LEU A 135 -4.883 10.434 5.463 1.00 0.00 C ATOM 876 C LEU A 135 -4.555 9.073 4.863 1.00 0.00 C ATOM 877 O LEU A 135 -4.778 8.835 3.680 1.00 0.00 O ATOM 878 CB LEU A 135 -3.620 11.306 5.485 1.00 0.00 C ATOM 879 CG LEU A 135 -3.840 12.826 5.500 1.00 0.00 C ATOM 880 CD1 LEU A 135 -4.581 13.276 4.249 1.00 0.00 C ATOM 881 CD2 LEU A 135 -4.589 13.262 6.752 1.00 0.00 C ATOM 0 H LEU A 135 -4.824 10.617 7.548 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.636 10.928 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.034 11.037 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.017 11.057 4.612 1.00 0.00 H new ATOM 0 HG LEU A 135 -2.860 13.304 5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -4.726 14.356 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.997 13.014 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -5.551 12.781 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.730 14.343 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.561 12.770 6.784 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -4.013 12.986 7.635 1.00 0.00 H new ATOM 893 N PHE A 136 -4.036 8.174 5.688 1.00 0.00 N ATOM 894 CA PHE A 136 -3.656 6.857 5.212 1.00 0.00 C ATOM 895 C PHE A 136 -4.846 5.906 5.286 1.00 0.00 C ATOM 896 O PHE A 136 -4.953 4.969 4.494 1.00 0.00 O ATOM 897 CB PHE A 136 -2.483 6.318 6.027 1.00 0.00 C ATOM 898 CG PHE A 136 -1.771 5.168 5.373 1.00 0.00 C ATOM 899 CD1 PHE A 136 -2.083 3.861 5.702 1.00 0.00 C ATOM 900 CD2 PHE A 136 -0.786 5.402 4.428 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.424 2.805 5.102 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.124 4.352 3.823 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.443 3.052 4.160 1.00 0.00 C ATOM 0 H PHE A 136 -3.871 8.333 6.682 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.343 6.936 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.770 7.125 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.847 6.000 7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.850 3.664 6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.533 6.417 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.675 1.789 5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.642 4.548 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.073 2.229 3.688 1.00 0.00 H new ATOM 913 N VAL A 137 -5.741 6.154 6.234 1.00 0.00 N ATOM 914 CA VAL A 137 -6.951 5.351 6.369 1.00 0.00 C ATOM 915 C VAL A 137 -7.827 5.481 5.124 1.00 0.00 C ATOM 916 O VAL A 137 -8.328 4.484 4.605 1.00 0.00 O ATOM 917 CB VAL A 137 -7.768 5.745 7.620 1.00 0.00 C ATOM 918 CG1 VAL A 137 -9.053 4.934 7.708 1.00 0.00 C ATOM 919 CG2 VAL A 137 -6.938 5.554 8.880 1.00 0.00 C ATOM 0 H VAL A 137 -5.653 6.904 6.920 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.634 4.314 6.483 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.034 6.798 7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -9.610 5.230 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.660 5.117 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.810 3.873 7.769 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.529 5.836 9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.642 4.508 8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.047 6.180 8.827 1.00 0.00 H new ATOM 929 N GLU A 138 -7.987 6.708 4.630 1.00 0.00 N ATOM 930 CA GLU A 138 -8.793 6.936 3.436 1.00 0.00 C ATOM 931 C GLU A 138 -8.115 6.323 2.210 1.00 0.00 C ATOM 932 O GLU A 138 -8.787 5.838 1.300 1.00 0.00 O ATOM 933 CB GLU A 138 -9.070 8.433 3.227 1.00 0.00 C ATOM 934 CG GLU A 138 -7.827 9.302 3.127 1.00 0.00 C ATOM 935 CD GLU A 138 -8.156 10.772 2.946 1.00 0.00 C ATOM 936 OE1 GLU A 138 -8.675 11.149 1.874 1.00 0.00 O ATOM 937 OE2 GLU A 138 -7.906 11.564 3.877 1.00 0.00 O ATOM 0 H GLU A 138 -7.574 7.549 5.034 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.755 6.444 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -9.657 8.556 2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.683 8.794 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -7.227 9.176 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -7.218 8.964 2.289 1.00 0.00 H new ATOM 944 N PHE A 139 -6.783 6.327 2.208 1.00 0.00 N ATOM 945 CA PHE A 139 -6.014 5.661 1.164 1.00 0.00 C ATOM 946 C PHE A 139 -6.308 4.168 1.175 1.00 0.00 C ATOM 947 O PHE A 139 -6.678 3.584 0.152 1.00 0.00 O ATOM 948 CB PHE A 139 -4.515 5.901 1.381 1.00 0.00 C ATOM 949 CG PHE A 139 -3.622 5.068 0.500 1.00 0.00 C ATOM 950 CD1 PHE A 139 -2.692 4.196 1.052 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.716 5.151 -0.875 1.00 0.00 C ATOM 952 CE1 PHE A 139 -1.877 3.426 0.243 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.904 4.383 -1.689 1.00 0.00 C ATOM 954 CZ PHE A 139 -1.983 3.520 -1.129 1.00 0.00 C ATOM 0 H PHE A 139 -6.215 6.786 2.920 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.301 6.072 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.298 6.955 1.206 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.273 5.695 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -2.605 4.119 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.433 5.825 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -1.158 2.752 0.685 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.990 4.458 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.347 2.920 -1.764 1.00 0.00 H new ATOM 964 N ALA A 140 -6.160 3.568 2.348 1.00 0.00 N ATOM 965 CA ALA A 140 -6.379 2.143 2.519 1.00 0.00 C ATOM 966 C ALA A 140 -7.801 1.757 2.144 1.00 0.00 C ATOM 967 O ALA A 140 -8.018 0.773 1.443 1.00 0.00 O ATOM 968 CB ALA A 140 -6.078 1.736 3.953 1.00 0.00 C ATOM 0 H ALA A 140 -5.886 4.054 3.202 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.701 1.612 1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.246 0.665 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.039 1.968 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.733 2.282 4.631 1.00 0.00 H new ATOM 974 N ASP A 141 -8.758 2.570 2.568 1.00 0.00 N ATOM 975 CA ASP A 141 -10.173 2.270 2.359 1.00 0.00 C ATOM 976 C ASP A 141 -10.491 2.222 0.875 1.00 0.00 C ATOM 977 O ASP A 141 -11.331 1.442 0.423 1.00 0.00 O ATOM 978 CB ASP A 141 -11.052 3.320 3.042 1.00 0.00 C ATOM 979 CG ASP A 141 -12.530 3.005 2.921 1.00 0.00 C ATOM 980 OD1 ASP A 141 -13.048 2.251 3.773 1.00 0.00 O ATOM 981 OD2 ASP A 141 -13.178 3.511 1.978 1.00 0.00 O ATOM 0 H ASP A 141 -8.583 3.446 3.061 1.00 0.00 H new ATOM 0 HA ASP A 141 -10.382 1.295 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.782 3.385 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.854 4.297 2.601 1.00 0.00 H new ATOM 986 N CYS A 142 -9.790 3.047 0.123 1.00 0.00 N ATOM 987 CA CYS A 142 -9.997 3.140 -1.306 1.00 0.00 C ATOM 988 C CYS A 142 -9.383 1.947 -2.030 1.00 0.00 C ATOM 989 O CYS A 142 -10.039 1.314 -2.855 1.00 0.00 O ATOM 990 CB CYS A 142 -9.404 4.444 -1.822 1.00 0.00 C ATOM 991 SG CYS A 142 -10.262 5.916 -1.226 1.00 0.00 S ATOM 0 H CYS A 142 -9.065 3.668 0.484 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.069 3.129 -1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.357 4.499 -1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.426 4.437 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 142 -9.808 6.237 -0.051 1.00 0.00 H new ATOM 997 N CYS A 143 -8.137 1.619 -1.703 1.00 0.00 N ATOM 998 CA CYS A 143 -7.442 0.542 -2.391 1.00 0.00 C ATOM 999 C CYS A 143 -8.079 -0.808 -2.074 1.00 0.00 C ATOM 1000 O CYS A 143 -8.133 -1.692 -2.927 1.00 0.00 O ATOM 1001 CB CYS A 143 -5.952 0.540 -2.032 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.604 0.439 -0.263 1.00 0.00 S ATOM 0 H CYS A 143 -7.594 2.080 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.532 0.713 -3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.473 -0.302 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.495 1.447 -2.427 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.712 0.234 0.386 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.603 -0.947 -0.860 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.222 -2.196 -0.433 1.00 0.00 C ATOM 1010 C LEU A 144 -10.530 -2.440 -1.174 1.00 0.00 C ATOM 1011 O LEU A 144 -10.938 -3.583 -1.365 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.460 -2.190 1.077 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.200 -2.024 1.928 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -8.531 -2.079 3.411 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.170 -3.078 1.565 1.00 0.00 C ATOM 0 H LEU A 144 -8.611 -0.210 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.537 -3.009 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.152 -1.383 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.949 -3.123 1.357 1.00 0.00 H new ATOM 0 HG LEU A 144 -7.776 -1.042 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -7.617 -1.958 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.227 -1.277 3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -8.987 -3.041 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.280 -2.944 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.587 -4.070 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.902 -2.978 0.513 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.177 -1.364 -1.604 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.403 -1.499 -2.365 1.00 0.00 C ATOM 1029 C GLY A 145 -12.130 -1.841 -3.817 1.00 0.00 C ATOM 1030 O GLY A 145 -12.998 -2.362 -4.517 1.00 0.00 O ATOM 0 H GLY A 145 -10.876 -0.403 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -13.024 -2.276 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -12.969 -0.569 -2.311 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.915 -1.551 -4.263 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.520 -1.793 -5.644 1.00 0.00 C ATOM 1036 C ILE A 146 -9.904 -3.181 -5.811 1.00 0.00 C ATOM 1037 O ILE A 146 -10.111 -3.846 -6.828 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.510 -0.729 -6.116 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.099 0.671 -5.935 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -9.124 -0.961 -7.572 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.083 1.780 -6.095 1.00 0.00 C ATOM 0 H ILE A 146 -10.181 -1.145 -3.683 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.422 -1.733 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.609 -0.812 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.900 0.816 -6.660 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.549 0.742 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.410 -0.199 -7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.671 -1.947 -7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -10.014 -0.903 -8.198 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.571 2.744 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.294 1.660 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.650 1.736 -7.095 1.00 0.00 H new ATOM 1053 N VAL A 147 -9.162 -3.630 -4.805 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.463 -4.905 -4.890 1.00 0.00 C ATOM 1055 C VAL A 147 -9.382 -6.063 -4.539 1.00 0.00 C ATOM 1056 O VAL A 147 -8.938 -7.206 -4.440 1.00 0.00 O ATOM 1057 CB VAL A 147 -7.213 -4.950 -3.985 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -6.234 -3.850 -4.366 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -7.599 -4.851 -2.517 1.00 0.00 C ATOM 0 H VAL A 147 -9.030 -3.132 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 147 -8.138 -5.004 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.720 -5.910 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -5.360 -3.899 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.923 -3.982 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.716 -2.879 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -6.700 -4.885 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -8.124 -3.912 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -8.250 -5.685 -2.255 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.653 -5.761 -4.327 1.00 0.00 N ATOM 1070 CA GLU A 148 -11.657 -6.797 -4.186 1.00 0.00 C ATOM 1071 C GLU A 148 -12.052 -7.325 -5.559 1.00 0.00 C ATOM 1072 O GLU A 148 -12.673 -6.618 -6.356 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.879 -6.275 -3.434 1.00 0.00 C ATOM 1074 CG GLU A 148 -12.695 -6.272 -1.927 1.00 0.00 C ATOM 1075 CD GLU A 148 -12.481 -7.668 -1.377 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -13.480 -8.327 -1.014 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -11.319 -8.121 -1.310 1.00 0.00 O ATOM 0 H GLU A 148 -11.011 -4.809 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 148 -11.234 -7.615 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -13.099 -5.261 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -13.743 -6.889 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -11.842 -5.646 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -13.572 -5.827 -1.456 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.954 -7.042 9.904 1.00 0.00 N ATOM 1198 CA ILE B 463 -7.090 -5.867 9.882 1.00 0.00 C ATOM 1199 C ILE B 463 -5.634 -6.222 9.587 1.00 0.00 C ATOM 1200 O ILE B 463 -4.952 -5.496 8.858 1.00 0.00 O ATOM 1201 CB ILE B 463 -7.169 -5.099 11.224 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -8.588 -4.574 11.460 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -6.165 -3.953 11.263 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -9.045 -3.558 10.433 1.00 0.00 C ATOM 0 HA ILE B 463 -7.453 -5.232 9.074 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.917 -5.796 12.023 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -9.281 -5.415 11.458 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -8.638 -4.122 12.451 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -6.244 -3.432 12.217 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -5.156 -4.349 11.148 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -6.376 -3.257 10.451 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -10.059 -3.234 10.668 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -8.376 -2.698 10.450 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -9.029 -4.011 9.442 1.00 0.00 H new ATOM 1216 N ARG B 464 -5.161 -7.341 10.122 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.757 -7.708 9.943 1.00 0.00 C ATOM 1218 C ARG B 464 -3.502 -8.124 8.500 1.00 0.00 C ATOM 1219 O ARG B 464 -2.385 -8.013 7.994 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.332 -8.815 10.911 1.00 0.00 C ATOM 1221 CG ARG B 464 -4.217 -10.040 10.873 1.00 0.00 C ATOM 1222 CD ARG B 464 -3.645 -11.168 11.705 1.00 0.00 C ATOM 1223 NE ARG B 464 -4.540 -12.320 11.738 1.00 0.00 N ATOM 1224 CZ ARG B 464 -4.137 -13.574 11.931 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -2.846 -13.855 12.061 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -5.029 -14.553 11.974 1.00 0.00 N ATOM 0 H ARG B 464 -5.713 -7.999 10.672 1.00 0.00 H new ATOM 0 HA ARG B 464 -3.151 -6.831 10.170 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -2.309 -9.112 10.680 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -3.327 -8.415 11.925 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -5.210 -9.783 11.241 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -4.335 -10.372 9.842 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -2.680 -11.468 11.297 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -3.466 -10.817 12.721 1.00 0.00 H new ATOM 0 HE ARG B 464 -5.538 -12.154 11.605 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -2.154 -13.107 12.013 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -2.546 -14.819 12.209 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -6.021 -14.345 11.859 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -4.724 -15.515 12.122 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.553 -8.583 7.841 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.491 -8.913 6.432 1.00 0.00 C ATOM 1242 C HIS B 465 -4.456 -7.643 5.591 1.00 0.00 C ATOM 1243 O HIS B 465 -3.591 -7.487 4.726 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.688 -9.787 6.031 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.927 -9.840 4.556 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -6.784 -9.140 3.781 1.00 0.00 N flip ATOM 1247 CD2 HIS B 465 -5.216 -10.650 3.703 1.00 0.00 C flip ATOM 1248 CE1 HIS B 465 -6.575 -9.531 2.486 1.00 0.00 C flip ATOM 1249 NE2 HIS B 465 -5.620 -10.439 2.465 1.00 0.00 N flip ATOM 0 H HIS B 465 -5.467 -8.736 8.267 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.576 -9.476 6.249 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.527 -10.800 6.400 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.584 -9.407 6.522 1.00 0.00 H new ATOM 0 HD1 HIS B 465 -7.461 -8.448 4.102 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -4.448 -11.349 3.999 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -7.106 -9.157 1.623 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.399 -6.743 5.858 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.543 -5.519 5.077 1.00 0.00 C ATOM 1260 C GLU B 466 -4.235 -4.735 5.040 1.00 0.00 C ATOM 1261 O GLU B 466 -3.814 -4.272 3.986 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.641 -4.628 5.658 1.00 0.00 C ATOM 1263 CG GLU B 466 -7.987 -5.313 5.838 1.00 0.00 C ATOM 1264 CD GLU B 466 -8.490 -6.002 4.586 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -8.839 -7.196 4.665 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -8.551 -5.358 3.522 1.00 0.00 O ATOM 0 H GLU B 466 -6.078 -6.840 6.613 1.00 0.00 H new ATOM 0 HA GLU B 466 -5.814 -5.813 4.063 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.309 -4.250 6.625 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -6.772 -3.765 5.006 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -7.907 -6.047 6.639 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.722 -4.573 6.156 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.590 -4.614 6.197 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.360 -3.835 6.320 1.00 0.00 C ATOM 1275 C ARG B 467 -1.259 -4.355 5.398 1.00 0.00 C ATOM 1276 O ARG B 467 -0.490 -3.573 4.841 1.00 0.00 O ATOM 1277 CB ARG B 467 -1.868 -3.831 7.767 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.782 -3.074 8.714 1.00 0.00 C ATOM 1279 CD ARG B 467 -2.224 -3.052 10.126 1.00 0.00 C ATOM 1280 NE ARG B 467 -3.104 -2.339 11.049 1.00 0.00 N ATOM 1281 CZ ARG B 467 -2.769 -2.012 12.295 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -1.567 -2.321 12.769 1.00 0.00 N ATOM 1283 NH2 ARG B 467 -3.635 -1.371 13.066 1.00 0.00 N ATOM 0 H ARG B 467 -3.900 -5.047 7.067 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.595 -2.815 6.017 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -1.771 -4.860 8.113 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -0.873 -3.388 7.803 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -2.912 -2.052 8.357 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -3.768 -3.538 8.718 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -2.082 -4.074 10.476 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -1.242 -2.578 10.121 1.00 0.00 H new ATOM 0 HE ARG B 467 -4.032 -2.076 10.718 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -0.896 -2.811 12.177 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -1.315 -2.068 13.725 1.00 0.00 H new ATOM 0 HH21 ARG B 467 -4.558 -1.129 12.705 1.00 0.00 H new ATOM 0 HH22 ARG B 467 -3.379 -1.120 14.021 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.202 -5.667 5.210 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.167 -6.258 4.375 1.00 0.00 C ATOM 1299 C ASN B 468 -0.533 -6.043 2.915 1.00 0.00 C ATOM 1300 O ASN B 468 0.327 -5.886 2.054 1.00 0.00 O ATOM 1301 CB ASN B 468 0.002 -7.751 4.698 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.328 -8.660 3.527 1.00 0.00 C ATOM 1303 OD1 ASN B 468 0.542 -9.012 2.729 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.590 -9.044 3.416 1.00 0.00 N ATOM 0 H ASN B 468 -1.854 -6.336 5.620 1.00 0.00 H new ATOM 0 HA ASN B 468 0.790 -5.776 4.575 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.030 -7.934 5.012 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.640 -8.008 5.541 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.872 -9.654 2.648 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -2.280 -8.730 4.098 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.834 -6.012 2.668 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.372 -5.741 1.349 1.00 0.00 C ATOM 1313 C VAL B 469 -2.035 -4.318 0.910 1.00 0.00 C ATOM 1314 O VAL B 469 -1.745 -4.071 -0.263 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.902 -5.964 1.340 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.571 -5.200 0.212 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.215 -7.444 1.233 1.00 0.00 C ATOM 0 H VAL B 469 -2.546 -6.175 3.380 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.915 -6.432 0.641 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.300 -5.582 2.280 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.646 -5.381 0.237 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.380 -4.134 0.331 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.169 -5.536 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.295 -7.588 1.228 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.792 -7.840 0.310 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.783 -7.970 2.085 1.00 0.00 H new ATOM 1327 N ILE B 470 -2.051 -3.391 1.863 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.725 -2.001 1.578 1.00 0.00 C ATOM 1329 C ILE B 470 -0.298 -1.888 1.054 1.00 0.00 C ATOM 1330 O ILE B 470 -0.016 -1.082 0.168 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.873 -1.098 2.821 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -3.210 -1.340 3.524 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.758 0.362 2.412 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.416 -1.109 2.643 1.00 0.00 C ATOM 0 H ILE B 470 -2.286 -3.579 2.838 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.433 -1.661 0.822 1.00 0.00 H new ATOM 0 HB ILE B 470 -1.074 -1.345 3.520 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -3.234 -2.365 3.895 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.276 -0.685 4.393 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.863 0.996 3.292 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.784 0.536 1.954 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.544 0.602 1.696 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.325 -1.301 3.213 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.418 -0.077 2.293 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.376 -1.783 1.787 1.00 0.00 H new ATOM 1346 N LEU B 471 0.593 -2.712 1.604 1.00 0.00 N ATOM 1347 CA LEU B 471 1.983 -2.755 1.162 1.00 0.00 C ATOM 1348 C LEU B 471 2.068 -3.062 -0.329 1.00 0.00 C ATOM 1349 O LEU B 471 2.827 -2.430 -1.059 1.00 0.00 O ATOM 1350 CB LEU B 471 2.766 -3.809 1.952 1.00 0.00 C ATOM 1351 CG LEU B 471 2.817 -3.590 3.465 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.540 -4.744 4.144 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.503 -2.271 3.789 1.00 0.00 C ATOM 0 H LEU B 471 0.374 -3.361 2.360 1.00 0.00 H new ATOM 0 HA LEU B 471 2.423 -1.774 1.344 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.324 -4.786 1.758 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.787 -3.839 1.572 1.00 0.00 H new ATOM 0 HG LEU B 471 1.795 -3.550 3.843 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.568 -4.573 5.220 1.00 0.00 H new ATOM 0 HD12 LEU B 471 3.013 -5.675 3.938 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.558 -4.811 3.761 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.531 -2.131 4.870 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.521 -2.285 3.399 1.00 0.00 H new ATOM 0 HD23 LEU B 471 2.950 -1.451 3.331 1.00 0.00 H new ATOM 1365 N GLN B 472 1.279 -4.031 -0.777 1.00 0.00 N ATOM 1366 CA GLN B 472 1.225 -4.377 -2.193 1.00 0.00 C ATOM 1367 C GLN B 472 0.711 -3.199 -3.016 1.00 0.00 C ATOM 1368 O GLN B 472 1.209 -2.929 -4.110 1.00 0.00 O ATOM 1369 CB GLN B 472 0.334 -5.602 -2.423 1.00 0.00 C ATOM 1370 CG GLN B 472 1.038 -6.939 -2.219 1.00 0.00 C ATOM 1371 CD GLN B 472 1.463 -7.187 -0.785 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.578 -6.851 -0.382 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.575 -7.782 -0.006 1.00 0.00 N ATOM 0 H GLN B 472 0.668 -4.591 -0.182 1.00 0.00 H new ATOM 0 HA GLN B 472 2.238 -4.618 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.519 -5.548 -1.747 1.00 0.00 H new ATOM 0 HB3 GLN B 472 -0.060 -5.564 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.373 -7.743 -2.537 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.917 -6.979 -2.862 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.337 -8.044 -0.380 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.802 -7.979 0.969 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.269 -2.490 -2.468 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.888 -1.362 -3.151 1.00 0.00 C ATOM 1384 C CYS B 473 0.100 -0.208 -3.318 1.00 0.00 C ATOM 1385 O CYS B 473 0.402 0.205 -4.438 1.00 0.00 O ATOM 1386 CB CYS B 473 -2.118 -0.896 -2.368 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.339 -2.199 -2.074 1.00 0.00 S ATOM 0 H CYS B 473 -0.655 -2.680 -1.543 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.194 -1.688 -4.145 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.794 -0.492 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.595 -0.081 -2.912 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.824 -3.110 -1.303 1.00 0.00 H new ATOM 1393 N VAL B 474 0.602 0.298 -2.195 1.00 0.00 N ATOM 1394 CA VAL B 474 1.546 1.400 -2.190 1.00 0.00 C ATOM 1395 C VAL B 474 2.768 1.114 -3.068 1.00 0.00 C ATOM 1396 O VAL B 474 3.188 1.969 -3.849 1.00 0.00 O ATOM 1397 CB VAL B 474 1.986 1.733 -0.745 1.00 0.00 C ATOM 1398 CG1 VAL B 474 2.681 0.561 -0.072 1.00 0.00 C ATOM 1399 CG2 VAL B 474 2.875 2.954 -0.724 1.00 0.00 C ATOM 0 H VAL B 474 0.363 -0.048 -1.266 1.00 0.00 H new ATOM 0 HA VAL B 474 1.035 2.265 -2.613 1.00 0.00 H new ATOM 0 HB VAL B 474 1.080 1.945 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL B 474 2.971 0.843 0.940 1.00 0.00 H new ATOM 0 HG12 VAL B 474 2.001 -0.290 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.569 0.289 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL B 474 3.172 3.170 0.302 1.00 0.00 H new ATOM 0 HG22 VAL B 474 3.763 2.768 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL B 474 2.332 3.807 -1.131 1.00 0.00 H new ATOM 1409 N ARG B 475 3.306 -0.097 -2.969 1.00 0.00 N ATOM 1410 CA ARG B 475 4.512 -0.458 -3.711 1.00 0.00 C ATOM 1411 C ARG B 475 4.247 -0.511 -5.207 1.00 0.00 C ATOM 1412 O ARG B 475 5.141 -0.245 -6.010 1.00 0.00 O ATOM 1413 CB ARG B 475 5.079 -1.795 -3.235 1.00 0.00 C ATOM 1414 CG ARG B 475 5.713 -1.733 -1.857 1.00 0.00 C ATOM 1415 CD ARG B 475 6.345 -3.060 -1.480 1.00 0.00 C ATOM 1416 NE ARG B 475 7.415 -3.441 -2.403 1.00 0.00 N ATOM 1417 CZ ARG B 475 8.171 -4.529 -2.258 1.00 0.00 C ATOM 1418 NH1 ARG B 475 7.978 -5.343 -1.223 1.00 0.00 N ATOM 1419 NH2 ARG B 475 9.113 -4.806 -3.151 1.00 0.00 N ATOM 0 H ARG B 475 2.929 -0.844 -2.385 1.00 0.00 H new ATOM 0 HA ARG B 475 5.250 0.320 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG B 475 4.279 -2.536 -3.224 1.00 0.00 H new ATOM 0 HB3 ARG B 475 5.823 -2.140 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG B 475 6.470 -0.949 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG B 475 4.957 -1.465 -1.119 1.00 0.00 H new ATOM 0 HD2 ARG B 475 6.745 -2.996 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG B 475 5.580 -3.836 -1.472 1.00 0.00 H new ATOM 0 HE ARG B 475 7.593 -2.837 -3.206 1.00 0.00 H new ATOM 0 HH11 ARG B 475 7.251 -5.135 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG B 475 8.558 -6.175 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG B 475 9.258 -4.186 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG B 475 9.692 -5.639 -3.040 1.00 0.00 H new ATOM 1433 N TYR B 476 3.023 -0.852 -5.587 1.00 0.00 N ATOM 1434 CA TYR B 476 2.648 -0.857 -6.987 1.00 0.00 C ATOM 1435 C TYR B 476 2.606 0.569 -7.518 1.00 0.00 C ATOM 1436 O TYR B 476 3.143 0.866 -8.585 1.00 0.00 O ATOM 1437 CB TYR B 476 1.284 -1.532 -7.182 1.00 0.00 C ATOM 1438 CG TYR B 476 0.487 -0.929 -8.319 1.00 0.00 C ATOM 1439 CD1 TYR B 476 -0.408 0.101 -8.074 1.00 0.00 C ATOM 1440 CD2 TYR B 476 0.662 -1.347 -9.631 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -1.110 0.697 -9.101 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -0.043 -0.760 -10.666 1.00 0.00 C ATOM 1443 CZ TYR B 476 -0.927 0.264 -10.393 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.626 0.863 -11.416 1.00 0.00 O ATOM 0 H TYR B 476 2.279 -1.127 -4.946 1.00 0.00 H new ATOM 0 HA TYR B 476 3.394 -1.425 -7.543 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.434 -2.595 -7.373 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.709 -1.452 -6.259 1.00 0.00 H new ATOM 0 HD1 TYR B 476 -0.558 0.443 -7.061 1.00 0.00 H new ATOM 0 HD2 TYR B 476 1.359 -2.143 -9.847 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -1.801 1.500 -8.891 1.00 0.00 H new ATOM 0 HE2 TYR B 476 0.097 -1.101 -11.681 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.010 1.707 -11.099 1.00 0.00 H new ATOM 1454 N ILE B 477 1.967 1.449 -6.758 1.00 0.00 N ATOM 1455 CA ILE B 477 1.772 2.821 -7.189 1.00 0.00 C ATOM 1456 C ILE B 477 3.107 3.526 -7.315 1.00 0.00 C ATOM 1457 O ILE B 477 3.426 4.083 -8.357 1.00 0.00 O ATOM 1458 CB ILE B 477 0.871 3.600 -6.217 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.442 2.847 -6.009 1.00 0.00 C ATOM 1460 CG2 ILE B 477 0.611 5.002 -6.753 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -1.358 3.487 -4.996 1.00 0.00 C ATOM 0 H ILE B 477 1.576 1.234 -5.841 1.00 0.00 H new ATOM 0 HA ILE B 477 1.279 2.790 -8.161 1.00 0.00 H new ATOM 0 HB ILE B 477 1.375 3.690 -5.255 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.964 2.776 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.219 1.828 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE B 477 -0.028 5.545 -6.057 1.00 0.00 H new ATOM 0 HG22 ILE B 477 1.558 5.530 -6.864 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.117 4.935 -7.722 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -2.269 2.895 -4.904 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.856 3.534 -4.030 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.612 4.496 -5.322 1.00 0.00 H new ATOM 1473 N ILE B 478 3.902 3.452 -6.259 1.00 0.00 N ATOM 1474 CA ILE B 478 5.235 4.045 -6.253 1.00 0.00 C ATOM 1475 C ILE B 478 6.075 3.497 -7.400 1.00 0.00 C ATOM 1476 O ILE B 478 6.988 4.162 -7.886 1.00 0.00 O ATOM 1477 CB ILE B 478 5.956 3.769 -4.918 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.148 4.351 -3.757 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.369 4.343 -4.921 1.00 0.00 C ATOM 1480 CD1 ILE B 478 5.780 4.125 -2.406 1.00 0.00 C ATOM 0 H ILE B 478 3.647 2.985 -5.389 1.00 0.00 H new ATOM 0 HA ILE B 478 5.115 5.121 -6.377 1.00 0.00 H new ATOM 0 HB ILE B 478 6.036 2.689 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.022 5.422 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.152 3.908 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE B 478 7.850 4.131 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE B 478 7.945 3.887 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.323 5.421 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.151 4.565 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE B 478 5.882 3.055 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE B 478 6.765 4.592 -2.382 1.00 0.00 H new ATOM 1492 N LYS B 479 5.728 2.301 -7.855 1.00 0.00 N ATOM 1493 CA LYS B 479 6.517 1.604 -8.852 1.00 0.00 C ATOM 1494 C LYS B 479 6.402 2.257 -10.226 1.00 0.00 C ATOM 1495 O LYS B 479 7.346 2.228 -11.007 1.00 0.00 O ATOM 1496 CB LYS B 479 6.101 0.138 -8.929 1.00 0.00 C ATOM 1497 CG LYS B 479 7.200 -0.780 -9.434 1.00 0.00 C ATOM 1498 CD LYS B 479 6.787 -2.244 -9.365 1.00 0.00 C ATOM 1499 CE LYS B 479 6.300 -2.636 -7.973 1.00 0.00 C ATOM 1500 NZ LYS B 479 7.242 -2.208 -6.902 1.00 0.00 N ATOM 0 H LYS B 479 4.899 1.794 -7.545 1.00 0.00 H new ATOM 0 HA LYS B 479 7.561 1.665 -8.544 1.00 0.00 H new ATOM 0 HB2 LYS B 479 5.788 -0.194 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.235 0.049 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS B 479 7.447 -0.520 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS B 479 8.102 -0.628 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS B 479 5.997 -2.432 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS B 479 7.633 -2.873 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS B 479 5.322 -2.189 -7.794 1.00 0.00 H new ATOM 0 HE3 LYS B 479 6.169 -3.717 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 7.273 -2.933 -6.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 8.193 -2.085 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 6.919 -1.307 -6.495 1.00 0.00 H new ATOM 1514 N LYS B 480 5.252 2.828 -10.542 1.00 0.00 N ATOM 1515 CA LYS B 480 5.115 3.525 -11.815 1.00 0.00 C ATOM 1516 C LYS B 480 4.861 5.020 -11.633 1.00 0.00 C ATOM 1517 O LYS B 480 5.029 5.804 -12.567 1.00 0.00 O ATOM 1518 CB LYS B 480 4.020 2.878 -12.684 1.00 0.00 C ATOM 1519 CG LYS B 480 2.758 2.427 -11.943 1.00 0.00 C ATOM 1520 CD LYS B 480 1.993 3.588 -11.329 1.00 0.00 C ATOM 1521 CE LYS B 480 0.528 3.252 -11.117 1.00 0.00 C ATOM 1522 NZ LYS B 480 -0.188 3.057 -12.404 1.00 0.00 N ATOM 0 H LYS B 480 4.418 2.826 -9.954 1.00 0.00 H new ATOM 0 HA LYS B 480 6.067 3.427 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS B 480 3.729 3.589 -13.457 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.449 2.014 -13.191 1.00 0.00 H new ATOM 0 HG2 LYS B 480 2.107 1.893 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS B 480 3.034 1.723 -11.158 1.00 0.00 H new ATOM 0 HD2 LYS B 480 2.446 3.857 -10.374 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.075 4.460 -11.977 1.00 0.00 H new ATOM 0 HE2 LYS B 480 0.447 2.347 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS B 480 0.050 4.053 -10.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 -0.835 3.855 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 0.502 3.008 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 -0.732 2.172 -12.368 1.00 0.00 H new