USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 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: A 143 CYS SG : rot -2:sc= -1.62! USER MOD Set 1.2: B 473 CYS SG : rot 66:sc= 0.577 USER MOD Set 2.1: B 468 ASN : amide:sc= -0.481 X(o=-1.7,f=-2) USER MOD Set 2.2: B 472 GLN : amide:sc= -1.24 X(o=-1.7,f=-1.7) USER MOD Set 3.1: A 116 ASN : amide:sc= -0.0456 K(o=-0.8,f=-2.6!) USER MOD Set 3.2: A 119 GLN : amide:sc= -0.755 X(o=-0.8,f=-1.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 91 ASN : amide:sc= 0.745 K(o=0.74,f=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ -118:sc= -0.697 (180deg=-2.58!) USER MOD Single : A 94 ASN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 98 SER OG : rot -150:sc= 0.0378 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 K(o=0,f=-0.9) USER MOD Single : A 109 HIS : no HD1:sc= 0.266 K(o=0.27,f=-5.3!) USER MOD Single : A 112 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.33) USER MOD Single : A 114 MET CE :methyl -175:sc= -0.843 (180deg=-0.913) USER MOD Single : A 123 LYS NZ :NH3+ 171:sc=-0.000175 (180deg=-0.0387) USER MOD Single : A 125 LYS NZ :NH3+ 140:sc= 0.93 (180deg=0.731) USER MOD Single : A 127 MET CE :methyl -178:sc= -1.25 (180deg=-1.27) USER MOD Single : A 130 TYR OH : rot -30:sc= -0.454 USER MOD Single : A 131 MET CE :methyl -158:sc= -2.8! (180deg=-3.68!) USER MOD Single : A 132 GLN : amide:sc= -0.0277 X(o=-0.028,f=0) USER MOD Single : A 142 CYS SG : rot 80:sc=-0.00281 USER MOD Single : B 465 HIS : no HD1:sc=-0.00858 X(o=-0.0086,f=-0.3) USER MOD Single : B 476 TYR OH : rot 81:sc= 0.284 USER MOD Single : B 479 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 480 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0712) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -1.611 -11.833 -0.286 1.00 0.00 N ATOM 71 CA ARG A 86 -1.013 -10.669 -0.922 1.00 0.00 C ATOM 72 C ARG A 86 -1.684 -10.390 -2.263 1.00 0.00 C ATOM 73 O ARG A 86 -2.067 -11.311 -2.988 1.00 0.00 O ATOM 74 CB ARG A 86 0.497 -10.856 -1.100 1.00 0.00 C ATOM 75 CG ARG A 86 0.891 -12.138 -1.818 1.00 0.00 C ATOM 76 CD ARG A 86 2.389 -12.186 -2.083 1.00 0.00 C ATOM 77 NE ARG A 86 3.175 -11.995 -0.861 1.00 0.00 N ATOM 78 CZ ARG A 86 4.506 -11.999 -0.822 1.00 0.00 C ATOM 79 NH1 ARG A 86 5.205 -12.196 -1.932 1.00 0.00 N ATOM 80 NH2 ARG A 86 5.136 -11.809 0.329 1.00 0.00 N ATOM 0 HA ARG A 86 -1.170 -9.808 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.893 -10.006 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.971 -10.843 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.598 -12.999 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.350 -12.210 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.646 -13.146 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.653 -11.415 -2.807 1.00 0.00 H new ATOM 0 HE ARG A 86 2.671 -11.850 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.723 -12.345 -2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.224 -12.199 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.601 -11.660 1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.156 -11.812 0.359 1.00 0.00 H new ATOM 94 N VAL A 87 -1.820 -9.113 -2.583 1.00 0.00 N ATOM 95 CA VAL A 87 -2.567 -8.684 -3.753 1.00 0.00 C ATOM 96 C VAL A 87 -1.784 -8.931 -5.033 1.00 0.00 C ATOM 97 O VAL A 87 -0.603 -8.593 -5.126 1.00 0.00 O ATOM 98 CB VAL A 87 -2.917 -7.188 -3.669 1.00 0.00 C ATOM 99 CG1 VAL A 87 -3.839 -6.789 -4.804 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.543 -6.856 -2.329 1.00 0.00 C ATOM 0 H VAL A 87 -1.417 -8.348 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.484 -9.273 -3.774 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.993 -6.618 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.074 -5.728 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.347 -6.983 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.760 -7.370 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.782 -5.793 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.456 -7.438 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.842 -7.098 -1.530 1.00 0.00 H new ATOM 110 N SER A 88 -2.451 -9.527 -6.009 1.00 0.00 N ATOM 111 CA SER A 88 -1.865 -9.756 -7.316 1.00 0.00 C ATOM 112 C SER A 88 -1.691 -8.438 -8.069 1.00 0.00 C ATOM 113 O SER A 88 -2.434 -7.481 -7.828 1.00 0.00 O ATOM 114 CB SER A 88 -2.757 -10.710 -8.108 1.00 0.00 C ATOM 115 OG SER A 88 -2.955 -11.921 -7.397 1.00 0.00 O ATOM 0 H SER A 88 -3.409 -9.863 -5.916 1.00 0.00 H new ATOM 0 HA SER A 88 -0.879 -10.203 -7.192 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.719 -10.237 -8.304 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.302 -10.921 -9.076 1.00 0.00 H new ATOM 0 HG SER A 88 -3.530 -12.517 -7.920 1.00 0.00 H new ATOM 121 N LEU A 89 -0.731 -8.395 -8.985 1.00 0.00 N ATOM 122 CA LEU A 89 -0.399 -7.170 -9.704 1.00 0.00 C ATOM 123 C LEU A 89 -1.623 -6.658 -10.461 1.00 0.00 C ATOM 124 O LEU A 89 -1.911 -5.462 -10.460 1.00 0.00 O ATOM 125 CB LEU A 89 0.769 -7.441 -10.669 1.00 0.00 C ATOM 126 CG LEU A 89 1.643 -6.232 -11.047 1.00 0.00 C ATOM 127 CD1 LEU A 89 0.887 -5.250 -11.923 1.00 0.00 C ATOM 128 CD2 LEU A 89 2.162 -5.533 -9.798 1.00 0.00 C ATOM 0 H LEU A 89 -0.164 -9.201 -9.249 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.094 -6.402 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.411 -8.200 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.362 -7.868 -11.586 1.00 0.00 H new ATOM 0 HG LEU A 89 2.492 -6.607 -11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.535 -4.409 -12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.573 -5.748 -12.840 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.009 -4.887 -11.389 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.778 -4.681 -10.087 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.320 -5.186 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.760 -6.231 -9.212 1.00 0.00 H new ATOM 140 N GLN A 90 -2.353 -7.584 -11.071 1.00 0.00 N ATOM 141 CA GLN A 90 -3.561 -7.260 -11.829 1.00 0.00 C ATOM 142 C GLN A 90 -4.564 -6.477 -10.980 1.00 0.00 C ATOM 143 O GLN A 90 -5.195 -5.539 -11.462 1.00 0.00 O ATOM 144 CB GLN A 90 -4.201 -8.551 -12.353 1.00 0.00 C ATOM 145 CG GLN A 90 -4.626 -9.509 -11.250 1.00 0.00 C ATOM 146 CD GLN A 90 -5.074 -10.856 -11.773 1.00 0.00 C ATOM 147 OE1 GLN A 90 -4.582 -11.336 -12.795 1.00 0.00 O ATOM 148 NE2 GLN A 90 -6.011 -11.476 -11.076 1.00 0.00 N ATOM 0 H GLN A 90 -2.127 -8.579 -11.056 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.277 -6.626 -12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.072 -8.296 -12.957 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.494 -9.057 -13.010 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.794 -9.652 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.438 -9.059 -10.679 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.392 -11.043 -10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.353 -12.388 -11.380 1.00 0.00 H new ATOM 157 N ASN A 91 -4.690 -6.848 -9.712 1.00 0.00 N ATOM 158 CA ASN A 91 -5.600 -6.161 -8.805 1.00 0.00 C ATOM 159 C ASN A 91 -5.061 -4.784 -8.463 1.00 0.00 C ATOM 160 O ASN A 91 -5.813 -3.817 -8.371 1.00 0.00 O ATOM 161 CB ASN A 91 -5.809 -6.964 -7.522 1.00 0.00 C ATOM 162 CG ASN A 91 -6.813 -8.089 -7.677 1.00 0.00 C ATOM 163 OD1 ASN A 91 -6.968 -8.663 -8.756 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.493 -8.417 -6.590 1.00 0.00 N ATOM 0 H ASN A 91 -4.174 -7.620 -9.289 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.561 -6.059 -9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.854 -7.380 -7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.145 -6.293 -6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.178 -9.172 -6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.332 -7.915 -5.717 1.00 0.00 H new ATOM 171 N LEU A 92 -3.747 -4.705 -8.297 1.00 0.00 N ATOM 172 CA LEU A 92 -3.083 -3.448 -7.978 1.00 0.00 C ATOM 173 C LEU A 92 -3.228 -2.467 -9.134 1.00 0.00 C ATOM 174 O LEU A 92 -3.369 -1.269 -8.923 1.00 0.00 O ATOM 175 CB LEU A 92 -1.602 -3.691 -7.671 1.00 0.00 C ATOM 176 CG LEU A 92 -1.331 -4.604 -6.478 1.00 0.00 C ATOM 177 CD1 LEU A 92 0.155 -4.909 -6.368 1.00 0.00 C ATOM 178 CD2 LEU A 92 -1.837 -3.953 -5.200 1.00 0.00 C ATOM 0 H LEU A 92 -3.116 -5.503 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.556 -3.019 -7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.130 -4.122 -8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.122 -2.729 -7.490 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.862 -5.544 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.330 -5.561 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.493 -5.405 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.708 -3.979 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.640 -4.611 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.325 -3.003 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.910 -3.778 -5.281 1.00 0.00 H new ATOM 190 N LYS A 93 -3.211 -2.993 -10.354 1.00 0.00 N ATOM 191 CA LYS A 93 -3.378 -2.179 -11.561 1.00 0.00 C ATOM 192 C LYS A 93 -4.648 -1.327 -11.510 1.00 0.00 C ATOM 193 O LYS A 93 -4.683 -0.219 -12.048 1.00 0.00 O ATOM 194 CB LYS A 93 -3.413 -3.077 -12.798 1.00 0.00 C ATOM 195 CG LYS A 93 -2.054 -3.631 -13.192 1.00 0.00 C ATOM 196 CD LYS A 93 -1.127 -2.564 -13.768 1.00 0.00 C ATOM 197 CE LYS A 93 -1.578 -2.066 -15.140 1.00 0.00 C ATOM 198 NZ LYS A 93 -2.575 -0.962 -15.054 1.00 0.00 N ATOM 0 H LYS A 93 -3.082 -3.988 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.525 -1.503 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.094 -3.908 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.821 -2.511 -13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.583 -4.082 -12.319 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.189 -4.424 -13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.078 -1.721 -13.079 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.118 -2.970 -13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.709 -1.722 -15.700 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.009 -2.896 -15.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.468 -1.265 -15.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.743 -0.723 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.211 -0.126 -15.553 1.00 0.00 H new ATOM 212 N ASN A 94 -5.681 -1.843 -10.856 1.00 0.00 N ATOM 213 CA ASN A 94 -6.959 -1.137 -10.764 1.00 0.00 C ATOM 214 C ASN A 94 -6.863 0.092 -9.861 1.00 0.00 C ATOM 215 O ASN A 94 -7.711 0.982 -9.929 1.00 0.00 O ATOM 216 CB ASN A 94 -8.066 -2.057 -10.242 1.00 0.00 C ATOM 217 CG ASN A 94 -8.385 -3.199 -11.183 1.00 0.00 C ATOM 218 OD1 ASN A 94 -9.203 -3.062 -12.095 1.00 0.00 O ATOM 219 ND2 ASN A 94 -7.759 -4.339 -10.956 1.00 0.00 N ATOM 0 H ASN A 94 -5.662 -2.746 -10.381 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.207 -0.812 -11.775 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.766 -2.464 -9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.969 -1.470 -10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.945 -5.149 -11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.089 -4.409 -10.190 1.00 0.00 H new ATOM 226 N LEU A 95 -5.834 0.143 -9.022 1.00 0.00 N ATOM 227 CA LEU A 95 -5.671 1.240 -8.073 1.00 0.00 C ATOM 228 C LEU A 95 -5.457 2.562 -8.797 1.00 0.00 C ATOM 229 O LEU A 95 -6.158 3.539 -8.538 1.00 0.00 O ATOM 230 CB LEU A 95 -4.493 0.967 -7.140 1.00 0.00 C ATOM 231 CG LEU A 95 -4.649 -0.251 -6.235 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.354 -0.528 -5.497 1.00 0.00 C ATOM 233 CD2 LEU A 95 -5.787 -0.044 -5.252 1.00 0.00 C ATOM 0 H LEU A 95 -5.099 -0.563 -8.979 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.586 1.311 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.595 0.838 -7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.334 1.846 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.886 -1.115 -6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.480 -1.400 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.559 -0.720 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.091 0.336 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.882 -0.924 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.580 0.830 -4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.717 0.110 -5.799 1.00 0.00 H new ATOM 245 N GLY A 96 -4.494 2.579 -9.710 1.00 0.00 N ATOM 246 CA GLY A 96 -4.198 3.783 -10.467 1.00 0.00 C ATOM 247 C GLY A 96 -5.336 4.202 -11.381 1.00 0.00 C ATOM 248 O GLY A 96 -5.373 5.336 -11.860 1.00 0.00 O ATOM 0 H GLY A 96 -3.909 1.776 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.977 4.596 -9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.301 3.619 -11.064 1.00 0.00 H new ATOM 252 N GLU A 97 -6.266 3.291 -11.628 1.00 0.00 N ATOM 253 CA GLU A 97 -7.414 3.585 -12.477 1.00 0.00 C ATOM 254 C GLU A 97 -8.506 4.287 -11.681 1.00 0.00 C ATOM 255 O GLU A 97 -9.332 5.005 -12.242 1.00 0.00 O ATOM 256 CB GLU A 97 -7.968 2.301 -13.093 1.00 0.00 C ATOM 257 CG GLU A 97 -6.980 1.581 -13.991 1.00 0.00 C ATOM 258 CD GLU A 97 -6.476 2.457 -15.118 1.00 0.00 C ATOM 259 OE1 GLU A 97 -7.226 2.675 -16.093 1.00 0.00 O ATOM 260 OE2 GLU A 97 -5.323 2.926 -15.039 1.00 0.00 O ATOM 0 H GLU A 97 -6.249 2.342 -11.253 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.081 4.247 -13.277 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.276 1.628 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.862 2.541 -13.669 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.134 1.239 -13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.454 0.693 -14.409 1.00 0.00 H new ATOM 267 N SER A 98 -8.498 4.080 -10.372 1.00 0.00 N ATOM 268 CA SER A 98 -9.495 4.676 -9.503 1.00 0.00 C ATOM 269 C SER A 98 -9.215 6.157 -9.317 1.00 0.00 C ATOM 270 O SER A 98 -8.210 6.543 -8.714 1.00 0.00 O ATOM 271 CB SER A 98 -9.512 3.966 -8.145 1.00 0.00 C ATOM 272 OG SER A 98 -10.442 4.568 -7.259 1.00 0.00 O ATOM 0 H SER A 98 -7.809 3.502 -9.890 1.00 0.00 H new ATOM 0 HA SER A 98 -10.474 4.561 -9.969 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.768 2.916 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.515 3.996 -7.704 1.00 0.00 H new ATOM 0 HG SER A 98 -10.132 4.459 -6.336 1.00 0.00 H new ATOM 278 N ALA A 99 -10.112 6.984 -9.838 1.00 0.00 N ATOM 279 CA ALA A 99 -9.978 8.425 -9.724 1.00 0.00 C ATOM 280 C ALA A 99 -10.157 8.863 -8.279 1.00 0.00 C ATOM 281 O ALA A 99 -9.652 9.907 -7.866 1.00 0.00 O ATOM 282 CB ALA A 99 -10.986 9.124 -10.621 1.00 0.00 C ATOM 0 H ALA A 99 -10.942 6.677 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.976 8.706 -10.047 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.872 10.204 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.814 8.833 -11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.996 8.837 -10.326 1.00 0.00 H new ATOM 288 N THR A 100 -10.868 8.045 -7.513 1.00 0.00 N ATOM 289 CA THR A 100 -11.096 8.319 -6.106 1.00 0.00 C ATOM 290 C THR A 100 -9.822 8.091 -5.299 1.00 0.00 C ATOM 291 O THR A 100 -9.485 8.880 -4.417 1.00 0.00 O ATOM 292 CB THR A 100 -12.226 7.433 -5.549 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.385 7.544 -6.386 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.584 7.837 -4.127 1.00 0.00 C ATOM 0 H THR A 100 -11.297 7.183 -7.848 1.00 0.00 H new ATOM 0 HA THR A 100 -11.392 9.364 -6.016 1.00 0.00 H new ATOM 0 HB THR A 100 -11.877 6.400 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.101 6.978 -6.030 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.384 7.196 -3.757 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.708 7.730 -3.487 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.916 8.875 -4.116 1.00 0.00 H new ATOM 302 N LEU A 101 -9.100 7.025 -5.625 1.00 0.00 N ATOM 303 CA LEU A 101 -7.875 6.700 -4.913 1.00 0.00 C ATOM 304 C LEU A 101 -6.806 7.750 -5.188 1.00 0.00 C ATOM 305 O LEU A 101 -6.266 8.348 -4.260 1.00 0.00 O ATOM 306 CB LEU A 101 -7.362 5.312 -5.304 1.00 0.00 C ATOM 307 CG LEU A 101 -6.092 4.861 -4.574 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.343 4.751 -3.079 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.599 3.538 -5.130 1.00 0.00 C ATOM 0 H LEU A 101 -9.342 6.376 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.099 6.693 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.150 4.583 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.169 5.301 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.319 5.612 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.429 4.430 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.648 5.722 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.133 4.022 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.697 3.234 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.370 2.779 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.376 3.650 -6.191 1.00 0.00 H new ATOM 321 N ARG A 102 -6.523 7.992 -6.465 1.00 0.00 N ATOM 322 CA ARG A 102 -5.504 8.969 -6.851 1.00 0.00 C ATOM 323 C ARG A 102 -5.857 10.366 -6.344 1.00 0.00 C ATOM 324 O ARG A 102 -4.976 11.196 -6.139 1.00 0.00 O ATOM 325 CB ARG A 102 -5.310 8.998 -8.367 1.00 0.00 C ATOM 326 CG ARG A 102 -6.602 9.159 -9.142 1.00 0.00 C ATOM 327 CD ARG A 102 -6.353 9.687 -10.542 1.00 0.00 C ATOM 328 NE ARG A 102 -5.468 8.817 -11.319 1.00 0.00 N ATOM 329 CZ ARG A 102 -5.100 9.065 -12.577 1.00 0.00 C ATOM 330 NH1 ARG A 102 -5.536 10.154 -13.199 1.00 0.00 N ATOM 331 NH2 ARG A 102 -4.293 8.223 -13.209 1.00 0.00 N ATOM 0 H ARG A 102 -6.982 7.528 -7.249 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.568 8.658 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.638 9.817 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.821 8.075 -8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.113 8.198 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.264 9.841 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.305 9.790 -11.063 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.915 10.683 -10.479 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.112 7.972 -10.872 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.155 10.805 -12.715 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.252 10.340 -14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.954 7.387 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.011 8.412 -14.171 1.00 0.00 H new ATOM 345 N SER A 103 -7.146 10.609 -6.129 1.00 0.00 N ATOM 346 CA SER A 103 -7.623 11.870 -5.575 1.00 0.00 C ATOM 347 C SER A 103 -6.995 12.115 -4.204 1.00 0.00 C ATOM 348 O SER A 103 -6.767 13.257 -3.801 1.00 0.00 O ATOM 349 CB SER A 103 -9.153 11.829 -5.466 1.00 0.00 C ATOM 350 OG SER A 103 -9.693 13.071 -5.050 1.00 0.00 O ATOM 0 H SER A 103 -7.887 9.939 -6.334 1.00 0.00 H new ATOM 0 HA SER A 103 -7.333 12.689 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.577 11.556 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.445 11.053 -4.759 1.00 0.00 H new ATOM 0 HG SER A 103 -10.669 13.001 -4.995 1.00 0.00 H new ATOM 356 N LEU A 104 -6.697 11.030 -3.503 1.00 0.00 N ATOM 357 CA LEU A 104 -6.093 11.111 -2.183 1.00 0.00 C ATOM 358 C LEU A 104 -4.575 11.196 -2.308 1.00 0.00 C ATOM 359 O LEU A 104 -3.912 11.855 -1.511 1.00 0.00 O ATOM 360 CB LEU A 104 -6.489 9.891 -1.349 1.00 0.00 C ATOM 361 CG LEU A 104 -7.974 9.521 -1.406 1.00 0.00 C ATOM 362 CD1 LEU A 104 -8.280 8.388 -0.443 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.845 10.732 -1.108 1.00 0.00 C ATOM 0 H LEU A 104 -6.865 10.079 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.454 12.009 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.904 9.035 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.216 10.076 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.202 9.182 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.340 8.140 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.688 7.513 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.032 8.697 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.895 10.445 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.615 11.109 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.649 11.511 -1.845 1.00 0.00 H new ATOM 375 N LEU A 105 -4.042 10.541 -3.339 1.00 0.00 N ATOM 376 CA LEU A 105 -2.605 10.551 -3.623 1.00 0.00 C ATOM 377 C LEU A 105 -2.129 11.967 -3.909 1.00 0.00 C ATOM 378 O LEU A 105 -0.942 12.276 -3.808 1.00 0.00 O ATOM 379 CB LEU A 105 -2.291 9.666 -4.836 1.00 0.00 C ATOM 380 CG LEU A 105 -2.138 8.163 -4.572 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.343 7.592 -3.843 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.921 7.432 -5.886 1.00 0.00 C ATOM 0 H LEU A 105 -4.591 9.990 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.087 10.163 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.084 9.803 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.369 10.027 -5.291 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.271 8.021 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.195 6.525 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.461 8.097 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.238 7.744 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.813 6.364 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.777 7.598 -6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.018 7.808 -6.367 1.00 0.00 H new ATOM 394 N LEU A 106 -3.076 12.817 -4.274 1.00 0.00 N ATOM 395 CA LEU A 106 -2.804 14.211 -4.576 1.00 0.00 C ATOM 396 C LEU A 106 -2.392 14.978 -3.320 1.00 0.00 C ATOM 397 O LEU A 106 -1.900 16.103 -3.403 1.00 0.00 O ATOM 398 CB LEU A 106 -4.042 14.840 -5.203 1.00 0.00 C ATOM 399 CG LEU A 106 -4.522 14.173 -6.493 1.00 0.00 C ATOM 400 CD1 LEU A 106 -5.731 14.897 -7.044 1.00 0.00 C ATOM 401 CD2 LEU A 106 -3.407 14.126 -7.528 1.00 0.00 C ATOM 0 H LEU A 106 -4.058 12.557 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.973 14.263 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.853 14.814 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.833 15.889 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.809 13.148 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.060 14.410 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.537 14.870 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.469 15.933 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.773 13.647 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.082 15.140 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.566 13.557 -7.132 1.00 0.00 H new ATOM 413 N ASN A 107 -2.595 14.362 -2.162 1.00 0.00 N ATOM 414 CA ASN A 107 -2.205 14.961 -0.893 1.00 0.00 C ATOM 415 C ASN A 107 -0.735 14.666 -0.604 1.00 0.00 C ATOM 416 O ASN A 107 -0.340 13.507 -0.448 1.00 0.00 O ATOM 417 CB ASN A 107 -3.085 14.432 0.244 1.00 0.00 C ATOM 418 CG ASN A 107 -4.530 14.879 0.117 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.817 15.956 -0.410 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.451 14.057 0.590 1.00 0.00 N ATOM 0 H ASN A 107 -3.030 13.443 -2.076 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.342 16.040 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.045 13.343 0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.685 14.774 1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.438 14.306 0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.174 13.174 1.019 1.00 0.00 H new ATOM 427 N PRO A 108 0.089 15.730 -0.542 1.00 0.00 N ATOM 428 CA PRO A 108 1.546 15.628 -0.354 1.00 0.00 C ATOM 429 C PRO A 108 1.944 14.784 0.850 1.00 0.00 C ATOM 430 O PRO A 108 2.944 14.070 0.812 1.00 0.00 O ATOM 431 CB PRO A 108 1.982 17.080 -0.145 1.00 0.00 C ATOM 432 CG PRO A 108 0.946 17.884 -0.844 1.00 0.00 C ATOM 433 CD PRO A 108 -0.342 17.137 -0.665 1.00 0.00 C ATOM 0 HA PRO A 108 2.017 15.135 -1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.031 17.331 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.973 17.261 -0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.878 18.887 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.188 17.999 -1.901 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -0.880 17.471 0.222 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.010 17.279 -1.515 1.00 0.00 H new ATOM 441 N HIS A 109 1.164 14.870 1.914 1.00 0.00 N ATOM 442 CA HIS A 109 1.441 14.105 3.121 1.00 0.00 C ATOM 443 C HIS A 109 1.254 12.607 2.878 1.00 0.00 C ATOM 444 O HIS A 109 2.097 11.798 3.263 1.00 0.00 O ATOM 445 CB HIS A 109 0.542 14.582 4.268 1.00 0.00 C ATOM 446 CG HIS A 109 0.665 13.764 5.517 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.579 14.074 6.492 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.021 12.657 5.888 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.432 13.152 7.428 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.474 12.274 7.106 1.00 0.00 N ATOM 0 H HIS A 109 0.334 15.461 1.968 1.00 0.00 H new ATOM 0 HA HIS A 109 2.482 14.271 3.399 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.785 15.619 4.499 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.496 14.564 3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.807 12.170 5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.012 13.112 8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.171 11.474 7.661 1.00 0.00 H new ATOM 458 N LEU A 110 0.161 12.244 2.218 1.00 0.00 N ATOM 459 CA LEU A 110 -0.167 10.846 2.001 1.00 0.00 C ATOM 460 C LEU A 110 0.858 10.178 1.092 1.00 0.00 C ATOM 461 O LEU A 110 1.238 9.026 1.305 1.00 0.00 O ATOM 462 CB LEU A 110 -1.567 10.722 1.402 1.00 0.00 C ATOM 463 CG LEU A 110 -1.963 9.310 0.981 1.00 0.00 C ATOM 464 CD1 LEU A 110 -1.917 8.359 2.166 1.00 0.00 C ATOM 465 CD2 LEU A 110 -3.345 9.309 0.354 1.00 0.00 C ATOM 0 H LEU A 110 -0.512 12.902 1.824 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.146 10.337 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.292 11.085 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.634 11.377 0.533 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.245 8.964 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.203 7.359 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.906 8.333 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.609 8.702 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.610 8.294 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.072 9.680 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.346 9.953 -0.525 1.00 0.00 H new ATOM 477 N ARG A 111 1.319 10.909 0.089 1.00 0.00 N ATOM 478 CA ARG A 111 2.299 10.365 -0.841 1.00 0.00 C ATOM 479 C ARG A 111 3.646 10.194 -0.143 1.00 0.00 C ATOM 480 O ARG A 111 4.434 9.317 -0.500 1.00 0.00 O ATOM 481 CB ARG A 111 2.432 11.245 -2.090 1.00 0.00 C ATOM 482 CG ARG A 111 3.044 12.610 -1.834 1.00 0.00 C ATOM 483 CD ARG A 111 3.025 13.473 -3.083 1.00 0.00 C ATOM 484 NE ARG A 111 3.655 14.772 -2.857 1.00 0.00 N ATOM 485 CZ ARG A 111 3.385 15.869 -3.563 1.00 0.00 C ATOM 486 NH1 ARG A 111 2.491 15.834 -4.545 1.00 0.00 N ATOM 487 NH2 ARG A 111 4.012 17.004 -3.285 1.00 0.00 N ATOM 0 H ARG A 111 1.035 11.870 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 111 1.952 9.386 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.041 10.720 -2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.444 11.380 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.496 13.111 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.071 12.490 -1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.542 12.954 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.995 13.621 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 111 4.346 14.843 -2.110 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.006 14.963 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.289 16.678 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.699 17.036 -2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.807 17.845 -3.824 1.00 0.00 H new ATOM 501 N GLN A 112 3.893 11.019 0.873 1.00 0.00 N ATOM 502 CA GLN A 112 5.091 10.883 1.687 1.00 0.00 C ATOM 503 C GLN A 112 5.006 9.642 2.557 1.00 0.00 C ATOM 504 O GLN A 112 6.001 8.951 2.759 1.00 0.00 O ATOM 505 CB GLN A 112 5.316 12.122 2.555 1.00 0.00 C ATOM 506 CG GLN A 112 5.942 13.277 1.795 1.00 0.00 C ATOM 507 CD GLN A 112 7.294 12.918 1.204 1.00 0.00 C ATOM 508 OE1 GLN A 112 7.678 13.431 0.156 1.00 0.00 O ATOM 509 NE2 GLN A 112 8.032 12.043 1.879 1.00 0.00 N ATOM 0 H GLN A 112 3.279 11.785 1.149 1.00 0.00 H new ATOM 0 HA GLN A 112 5.941 10.783 1.012 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.362 12.444 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.958 11.858 3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.270 13.588 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.056 14.129 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.678 11.639 2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.952 11.776 1.530 1.00 0.00 H new ATOM 518 N LEU A 113 3.814 9.358 3.063 1.00 0.00 N ATOM 519 CA LEU A 113 3.589 8.150 3.847 1.00 0.00 C ATOM 520 C LEU A 113 3.947 6.913 3.029 1.00 0.00 C ATOM 521 O LEU A 113 4.648 6.024 3.509 1.00 0.00 O ATOM 522 CB LEU A 113 2.133 8.070 4.313 1.00 0.00 C ATOM 523 CG LEU A 113 1.701 9.143 5.317 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.233 8.980 5.670 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.552 9.071 6.575 1.00 0.00 C ATOM 0 H LEU A 113 2.989 9.946 2.945 1.00 0.00 H new ATOM 0 HA LEU A 113 4.231 8.189 4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.486 8.135 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.967 7.090 4.761 1.00 0.00 H new ATOM 0 HG LEU A 113 1.844 10.120 4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.057 9.750 6.384 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.371 9.076 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.072 7.997 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.230 9.841 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.438 8.090 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.599 9.231 6.316 1.00 0.00 H new ATOM 537 N MET A 114 3.485 6.874 1.784 1.00 0.00 N ATOM 538 CA MET A 114 3.774 5.748 0.904 1.00 0.00 C ATOM 539 C MET A 114 5.277 5.549 0.728 1.00 0.00 C ATOM 540 O MET A 114 5.797 4.467 1.001 1.00 0.00 O ATOM 541 CB MET A 114 3.107 5.927 -0.465 1.00 0.00 C ATOM 542 CG MET A 114 1.612 5.647 -0.457 1.00 0.00 C ATOM 543 SD MET A 114 0.928 5.459 -2.116 1.00 0.00 S ATOM 544 CE MET A 114 1.340 7.036 -2.852 1.00 0.00 C ATOM 0 H MET A 114 2.912 7.605 1.363 1.00 0.00 H new ATOM 0 HA MET A 114 3.362 4.858 1.379 1.00 0.00 H new ATOM 0 HB2 MET A 114 3.275 6.947 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.588 5.264 -1.184 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.420 4.740 0.115 1.00 0.00 H new ATOM 0 HG3 MET A 114 1.097 6.461 0.053 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.902 7.098 -3.848 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.946 7.841 -2.231 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.423 7.131 -2.926 1.00 0.00 H new ATOM 554 N VAL A 115 5.978 6.598 0.306 1.00 0.00 N ATOM 555 CA VAL A 115 7.409 6.489 0.022 1.00 0.00 C ATOM 556 C VAL A 115 8.220 6.217 1.286 1.00 0.00 C ATOM 557 O VAL A 115 9.332 5.711 1.211 1.00 0.00 O ATOM 558 CB VAL A 115 7.971 7.743 -0.675 1.00 0.00 C ATOM 559 CG1 VAL A 115 7.257 7.993 -1.993 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.881 8.957 0.233 1.00 0.00 C ATOM 0 H VAL A 115 5.584 7.526 0.154 1.00 0.00 H new ATOM 0 HA VAL A 115 7.507 5.642 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 115 9.025 7.566 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.670 8.883 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.395 7.134 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.193 8.141 -1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.284 9.828 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.839 9.140 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.456 8.775 1.141 1.00 0.00 H new ATOM 570 N ASN A 116 7.672 6.581 2.437 1.00 0.00 N ATOM 571 CA ASN A 116 8.325 6.313 3.716 1.00 0.00 C ATOM 572 C ASN A 116 8.171 4.855 4.104 1.00 0.00 C ATOM 573 O ASN A 116 9.126 4.205 4.530 1.00 0.00 O ATOM 574 CB ASN A 116 7.735 7.174 4.831 1.00 0.00 C ATOM 575 CG ASN A 116 8.297 8.577 4.878 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.425 8.826 4.455 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.520 9.498 5.416 1.00 0.00 N ATOM 0 H ASN A 116 6.776 7.063 2.514 1.00 0.00 H new ATOM 0 HA ASN A 116 9.381 6.555 3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.654 7.229 4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.917 6.687 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.849 10.461 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.591 9.247 5.754 1.00 0.00 H new ATOM 584 N LEU A 117 6.956 4.351 3.962 1.00 0.00 N ATOM 585 CA LEU A 117 6.629 2.994 4.374 1.00 0.00 C ATOM 586 C LEU A 117 7.386 1.975 3.562 1.00 0.00 C ATOM 587 O LEU A 117 7.995 1.057 4.105 1.00 0.00 O ATOM 588 CB LEU A 117 5.146 2.732 4.195 1.00 0.00 C ATOM 589 CG LEU A 117 4.548 1.965 5.346 1.00 0.00 C ATOM 590 CD1 LEU A 117 3.030 1.973 5.284 1.00 0.00 C ATOM 591 CD2 LEU A 117 5.055 0.541 5.394 1.00 0.00 C ATOM 0 H LEU A 117 6.173 4.866 3.561 1.00 0.00 H new ATOM 0 HA LEU A 117 6.909 2.901 5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.624 3.683 4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.988 2.175 3.272 1.00 0.00 H new ATOM 0 HG LEU A 117 4.863 2.470 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.628 1.412 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.669 3.001 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.701 1.512 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.601 0.021 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.792 0.030 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.139 0.544 5.511 1.00 0.00 H new ATOM 603 N ASP A 118 7.313 2.154 2.262 1.00 0.00 N ATOM 604 CA ASP A 118 7.924 1.234 1.300 1.00 0.00 C ATOM 605 C ASP A 118 9.410 1.064 1.576 1.00 0.00 C ATOM 606 O ASP A 118 10.010 0.058 1.192 1.00 0.00 O ATOM 607 CB ASP A 118 7.720 1.725 -0.136 1.00 0.00 C ATOM 608 CG ASP A 118 8.117 0.681 -1.166 1.00 0.00 C ATOM 609 OD1 ASP A 118 7.228 -0.055 -1.639 1.00 0.00 O ATOM 610 OD2 ASP A 118 9.317 0.573 -1.493 1.00 0.00 O ATOM 0 H ASP A 118 6.829 2.941 1.830 1.00 0.00 H new ATOM 0 HA ASP A 118 7.432 0.268 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.674 1.994 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.307 2.630 -0.295 1.00 0.00 H new ATOM 615 N GLN A 119 9.992 2.034 2.278 1.00 0.00 N ATOM 616 CA GLN A 119 11.408 1.972 2.610 1.00 0.00 C ATOM 617 C GLN A 119 11.656 0.803 3.534 1.00 0.00 C ATOM 618 O GLN A 119 12.729 0.203 3.537 1.00 0.00 O ATOM 619 CB GLN A 119 11.874 3.262 3.275 1.00 0.00 C ATOM 620 CG GLN A 119 11.664 4.481 2.409 1.00 0.00 C ATOM 621 CD GLN A 119 12.188 5.754 3.042 1.00 0.00 C ATOM 622 OE1 GLN A 119 13.156 5.735 3.804 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.545 6.868 2.736 1.00 0.00 N ATOM 0 H GLN A 119 9.508 2.863 2.624 1.00 0.00 H new ATOM 0 HA GLN A 119 11.974 1.843 1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.338 3.394 4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.932 3.176 3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.159 4.328 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.600 4.595 2.204 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.748 6.839 2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.846 7.757 3.136 1.00 0.00 H new ATOM 632 N GLY A 120 10.629 0.493 4.315 1.00 0.00 N ATOM 633 CA GLY A 120 10.635 -0.699 5.137 1.00 0.00 C ATOM 634 C GLY A 120 11.686 -0.687 6.227 1.00 0.00 C ATOM 635 O GLY A 120 12.002 -1.740 6.780 1.00 0.00 O ATOM 0 H GLY A 120 9.782 1.055 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.653 -0.818 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.797 -1.568 4.499 1.00 0.00 H new ATOM 639 N GLU A 121 12.222 0.492 6.538 1.00 0.00 N ATOM 640 CA GLU A 121 13.223 0.624 7.593 1.00 0.00 C ATOM 641 C GLU A 121 12.682 0.026 8.885 1.00 0.00 C ATOM 642 O GLU A 121 13.293 -0.862 9.483 1.00 0.00 O ATOM 643 CB GLU A 121 13.587 2.096 7.806 1.00 0.00 C ATOM 644 CG GLU A 121 14.222 2.762 6.596 1.00 0.00 C ATOM 645 CD GLU A 121 15.631 2.279 6.338 1.00 0.00 C ATOM 646 OE1 GLU A 121 15.799 1.271 5.625 1.00 0.00 O ATOM 647 OE2 GLU A 121 16.583 2.907 6.845 1.00 0.00 O ATOM 0 H GLU A 121 11.980 1.368 6.075 1.00 0.00 H new ATOM 0 HA GLU A 121 14.124 0.087 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.686 2.646 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 121 14.273 2.171 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 121 13.609 2.568 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 121 14.234 3.842 6.745 1.00 0.00 H new ATOM 654 N ASP A 122 11.523 0.506 9.298 1.00 0.00 N ATOM 655 CA ASP A 122 10.808 -0.085 10.414 1.00 0.00 C ATOM 656 C ASP A 122 9.313 -0.032 10.143 1.00 0.00 C ATOM 657 O ASP A 122 8.556 0.674 10.813 1.00 0.00 O ATOM 658 CB ASP A 122 11.142 0.619 11.728 1.00 0.00 C ATOM 659 CG ASP A 122 10.660 -0.164 12.934 1.00 0.00 C ATOM 660 OD1 ASP A 122 11.164 -1.284 13.164 1.00 0.00 O ATOM 661 OD2 ASP A 122 9.792 0.342 13.668 1.00 0.00 O ATOM 0 H ASP A 122 11.055 1.307 8.875 1.00 0.00 H new ATOM 0 HA ASP A 122 11.121 -1.124 10.514 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.220 0.763 11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.687 1.609 11.734 1.00 0.00 H new ATOM 666 N LYS A 123 8.913 -0.780 9.125 1.00 0.00 N ATOM 667 CA LYS A 123 7.517 -0.879 8.709 1.00 0.00 C ATOM 668 C LYS A 123 6.608 -1.318 9.859 1.00 0.00 C ATOM 669 O LYS A 123 5.409 -1.046 9.837 1.00 0.00 O ATOM 670 CB LYS A 123 7.371 -1.864 7.536 1.00 0.00 C ATOM 671 CG LYS A 123 7.673 -3.319 7.893 1.00 0.00 C ATOM 672 CD LYS A 123 9.167 -3.586 8.022 1.00 0.00 C ATOM 673 CE LYS A 123 9.447 -4.948 8.632 1.00 0.00 C ATOM 674 NZ LYS A 123 8.813 -6.052 7.861 1.00 0.00 N ATOM 0 H LYS A 123 9.551 -1.340 8.559 1.00 0.00 H new ATOM 0 HA LYS A 123 7.207 0.117 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.354 -1.801 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 123 8.038 -1.554 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.179 -3.570 8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.254 -3.973 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 123 9.633 -3.526 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.623 -2.811 8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.524 -5.110 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.080 -4.967 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.153 -6.967 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.780 -6.001 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.063 -5.961 6.855 1.00 0.00 H new ATOM 688 N ALA A 124 7.189 -1.988 10.855 1.00 0.00 N ATOM 689 CA ALA A 124 6.427 -2.517 11.984 1.00 0.00 C ATOM 690 C ALA A 124 5.574 -1.441 12.646 1.00 0.00 C ATOM 691 O ALA A 124 4.365 -1.613 12.805 1.00 0.00 O ATOM 692 CB ALA A 124 7.360 -3.151 13.005 1.00 0.00 C ATOM 0 H ALA A 124 8.190 -2.177 10.901 1.00 0.00 H new ATOM 0 HA ALA A 124 5.753 -3.280 11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.776 -3.540 13.839 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.912 -3.966 12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.062 -2.402 13.371 1.00 0.00 H new ATOM 698 N LYS A 125 6.188 -0.326 13.020 1.00 0.00 N ATOM 699 CA LYS A 125 5.439 0.739 13.667 1.00 0.00 C ATOM 700 C LYS A 125 4.787 1.653 12.637 1.00 0.00 C ATOM 701 O LYS A 125 3.724 2.209 12.894 1.00 0.00 O ATOM 702 CB LYS A 125 6.309 1.558 14.625 1.00 0.00 C ATOM 703 CG LYS A 125 7.464 2.284 13.963 1.00 0.00 C ATOM 704 CD LYS A 125 8.064 3.323 14.898 1.00 0.00 C ATOM 705 CE LYS A 125 9.379 3.860 14.363 1.00 0.00 C ATOM 706 NZ LYS A 125 10.451 2.834 14.414 1.00 0.00 N ATOM 0 H LYS A 125 7.182 -0.139 12.890 1.00 0.00 H new ATOM 0 HA LYS A 125 4.658 0.260 14.257 1.00 0.00 H new ATOM 0 HB2 LYS A 125 5.679 2.290 15.132 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.706 0.894 15.392 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.231 1.566 13.672 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.118 2.768 13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 125 7.361 4.145 15.029 1.00 0.00 H new ATOM 0 HD3 LYS A 125 8.224 2.880 15.881 1.00 0.00 H new ATOM 0 HE2 LYS A 125 9.244 4.195 13.335 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.680 4.731 14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.030 2.893 13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.052 3.001 15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.023 1.888 14.480 1.00 0.00 H new ATOM 720 N LEU A 126 5.407 1.793 11.465 1.00 0.00 N ATOM 721 CA LEU A 126 4.862 2.655 10.424 1.00 0.00 C ATOM 722 C LEU A 126 3.476 2.183 9.999 1.00 0.00 C ATOM 723 O LEU A 126 2.560 2.984 9.867 1.00 0.00 O ATOM 724 CB LEU A 126 5.802 2.715 9.216 1.00 0.00 C ATOM 725 CG LEU A 126 7.072 3.553 9.408 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.891 3.570 8.130 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.748 4.972 9.837 1.00 0.00 C ATOM 0 H LEU A 126 6.278 1.324 11.217 1.00 0.00 H new ATOM 0 HA LEU A 126 4.770 3.660 10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 126 6.095 1.698 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.249 3.115 8.367 1.00 0.00 H new ATOM 0 HG LEU A 126 7.655 3.088 10.203 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.789 4.169 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 126 8.174 2.551 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.298 4.003 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.673 5.534 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.133 5.451 9.075 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.205 4.951 10.782 1.00 0.00 H new ATOM 739 N MET A 127 3.317 0.877 9.829 1.00 0.00 N ATOM 740 CA MET A 127 2.031 0.309 9.427 1.00 0.00 C ATOM 741 C MET A 127 0.916 0.716 10.383 1.00 0.00 C ATOM 742 O MET A 127 -0.203 0.996 9.960 1.00 0.00 O ATOM 743 CB MET A 127 2.117 -1.214 9.362 1.00 0.00 C ATOM 744 CG MET A 127 2.806 -1.742 8.116 1.00 0.00 C ATOM 745 SD MET A 127 1.645 -2.411 6.904 1.00 0.00 S ATOM 746 CE MET A 127 0.656 -0.966 6.515 1.00 0.00 C ATOM 0 H MET A 127 4.059 0.190 9.962 1.00 0.00 H new ATOM 0 HA MET A 127 1.796 0.702 8.438 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.651 -1.575 10.241 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.109 -1.627 9.410 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.381 -0.938 7.656 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.515 -2.519 8.400 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.125 -1.240 5.805 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.199 -0.582 7.427 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.292 -0.197 6.076 1.00 0.00 H new ATOM 756 N ARG A 128 1.227 0.759 11.669 1.00 0.00 N ATOM 757 CA ARG A 128 0.235 1.104 12.677 1.00 0.00 C ATOM 758 C ARG A 128 0.108 2.618 12.819 1.00 0.00 C ATOM 759 O ARG A 128 -0.994 3.151 12.953 1.00 0.00 O ATOM 760 CB ARG A 128 0.602 0.484 14.024 1.00 0.00 C ATOM 761 CG ARG A 128 0.698 -1.032 13.992 1.00 0.00 C ATOM 762 CD ARG A 128 0.944 -1.597 15.378 1.00 0.00 C ATOM 763 NE ARG A 128 1.076 -3.052 15.366 1.00 0.00 N ATOM 764 CZ ARG A 128 0.579 -3.850 16.309 1.00 0.00 C ATOM 765 NH1 ARG A 128 -0.126 -3.343 17.314 1.00 0.00 N ATOM 766 NH2 ARG A 128 0.787 -5.159 16.246 1.00 0.00 N ATOM 0 H ARG A 128 2.156 0.560 12.040 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.726 0.704 12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.557 0.893 14.354 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -0.143 0.777 14.764 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -0.223 -1.449 13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.506 -1.334 13.325 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.850 -1.155 15.793 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.122 -1.314 16.035 1.00 0.00 H new ATOM 0 HE ARG A 128 1.579 -3.482 14.589 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.289 -2.337 17.366 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.504 -3.959 18.033 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.327 -5.553 15.476 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.407 -5.771 16.968 1.00 0.00 H new ATOM 780 N ALA A 129 1.242 3.305 12.769 1.00 0.00 N ATOM 781 CA ALA A 129 1.280 4.746 12.958 1.00 0.00 C ATOM 782 C ALA A 129 0.647 5.488 11.788 1.00 0.00 C ATOM 783 O ALA A 129 0.294 6.659 11.911 1.00 0.00 O ATOM 784 CB ALA A 129 2.712 5.215 13.164 1.00 0.00 C ATOM 0 H ALA A 129 2.154 2.881 12.598 1.00 0.00 H new ATOM 0 HA ALA A 129 0.696 4.975 13.849 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.724 6.296 13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.130 4.730 14.046 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.309 4.956 12.290 1.00 0.00 H new ATOM 790 N TYR A 130 0.496 4.813 10.662 1.00 0.00 N ATOM 791 CA TYR A 130 -0.092 5.441 9.489 1.00 0.00 C ATOM 792 C TYR A 130 -1.607 5.359 9.550 1.00 0.00 C ATOM 793 O TYR A 130 -2.310 6.228 9.040 1.00 0.00 O ATOM 794 CB TYR A 130 0.429 4.791 8.207 1.00 0.00 C ATOM 795 CG TYR A 130 1.854 5.169 7.858 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.717 5.694 8.812 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.339 4.994 6.572 1.00 0.00 C ATOM 798 CE1 TYR A 130 4.011 6.035 8.493 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.634 5.333 6.247 1.00 0.00 C ATOM 800 CZ TYR A 130 4.465 5.856 7.207 1.00 0.00 C ATOM 801 OH TYR A 130 5.754 6.200 6.878 1.00 0.00 O ATOM 0 H TYR A 130 0.769 3.839 10.534 1.00 0.00 H new ATOM 0 HA TYR A 130 0.199 6.491 9.480 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.366 3.708 8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.223 5.071 7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.365 5.837 9.823 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.691 4.585 5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.667 6.441 9.249 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.995 5.188 5.239 1.00 0.00 H new ATOM 0 HH TYR A 130 6.048 6.945 7.443 1.00 0.00 H new ATOM 811 N MET A 131 -2.107 4.329 10.216 1.00 0.00 N ATOM 812 CA MET A 131 -3.540 4.122 10.331 1.00 0.00 C ATOM 813 C MET A 131 -4.150 5.036 11.388 1.00 0.00 C ATOM 814 O MET A 131 -5.338 4.943 11.692 1.00 0.00 O ATOM 815 CB MET A 131 -3.839 2.663 10.663 1.00 0.00 C ATOM 816 CG MET A 131 -3.263 1.683 9.654 1.00 0.00 C ATOM 817 SD MET A 131 -3.736 2.053 7.950 1.00 0.00 S ATOM 818 CE MET A 131 -5.494 2.333 8.123 1.00 0.00 C ATOM 0 H MET A 131 -1.539 3.623 10.685 1.00 0.00 H new ATOM 0 HA MET A 131 -3.991 4.369 9.370 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.438 2.434 11.650 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.919 2.525 10.717 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.176 1.689 9.732 1.00 0.00 H new ATOM 0 HG3 MET A 131 -3.595 0.676 9.906 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.983 2.185 7.160 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.904 1.632 8.850 1.00 0.00 H new ATOM 0 HE3 MET A 131 -5.668 3.353 8.465 1.00 0.00 H new ATOM 828 N GLN A 132 -3.337 5.912 11.957 1.00 0.00 N ATOM 829 CA GLN A 132 -3.843 6.910 12.886 1.00 0.00 C ATOM 830 C GLN A 132 -4.132 8.201 12.130 1.00 0.00 C ATOM 831 O GLN A 132 -4.811 9.095 12.633 1.00 0.00 O ATOM 832 CB GLN A 132 -2.834 7.183 14.008 1.00 0.00 C ATOM 833 CG GLN A 132 -1.745 8.170 13.624 1.00 0.00 C ATOM 834 CD GLN A 132 -0.760 8.430 14.742 1.00 0.00 C ATOM 835 OE1 GLN A 132 -0.970 9.303 15.581 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.334 7.689 14.747 1.00 0.00 N ATOM 0 H GLN A 132 -2.331 5.953 11.794 1.00 0.00 H new ATOM 0 HA GLN A 132 -4.759 6.530 13.338 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.367 7.565 14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.371 6.242 14.305 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.208 7.789 12.755 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.205 9.112 13.327 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.469 6.975 14.032 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.043 7.831 15.466 1.00 0.00 H new ATOM 845 N GLU A 133 -3.606 8.287 10.914 1.00 0.00 N ATOM 846 CA GLU A 133 -3.722 9.494 10.120 1.00 0.00 C ATOM 847 C GLU A 133 -4.847 9.334 9.105 1.00 0.00 C ATOM 848 O GLU A 133 -4.853 8.384 8.318 1.00 0.00 O ATOM 849 CB GLU A 133 -2.398 9.798 9.411 1.00 0.00 C ATOM 850 CG GLU A 133 -1.175 9.298 10.169 1.00 0.00 C ATOM 851 CD GLU A 133 0.073 10.096 9.876 1.00 0.00 C ATOM 852 OE1 GLU A 133 0.470 10.182 8.705 1.00 0.00 O ATOM 853 OE2 GLU A 133 0.671 10.636 10.832 1.00 0.00 O ATOM 0 H GLU A 133 -3.095 7.531 10.459 1.00 0.00 H new ATOM 0 HA GLU A 133 -3.955 10.331 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.413 9.344 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.311 10.875 9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.379 9.334 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.999 8.253 9.913 1.00 0.00 H new ATOM 860 N PRO A 134 -5.812 10.271 9.106 1.00 0.00 N ATOM 861 CA PRO A 134 -7.013 10.185 8.265 1.00 0.00 C ATOM 862 C PRO A 134 -6.694 10.214 6.770 1.00 0.00 C ATOM 863 O PRO A 134 -7.540 9.885 5.942 1.00 0.00 O ATOM 864 CB PRO A 134 -7.832 11.416 8.663 1.00 0.00 C ATOM 865 CG PRO A 134 -6.849 12.351 9.278 1.00 0.00 C ATOM 866 CD PRO A 134 -5.807 11.491 9.931 1.00 0.00 C ATOM 0 HA PRO A 134 -7.538 9.243 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.315 11.866 7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.621 11.154 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.403 12.998 8.523 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.333 12.999 10.009 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.829 11.973 9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.056 11.275 10.970 1.00 0.00 H new ATOM 874 N LEU A 135 -5.475 10.596 6.426 1.00 0.00 N ATOM 875 CA LEU A 135 -5.056 10.594 5.035 1.00 0.00 C ATOM 876 C LEU A 135 -4.779 9.169 4.569 1.00 0.00 C ATOM 877 O LEU A 135 -5.082 8.805 3.434 1.00 0.00 O ATOM 878 CB LEU A 135 -3.805 11.458 4.824 1.00 0.00 C ATOM 879 CG LEU A 135 -3.956 12.941 5.174 1.00 0.00 C ATOM 880 CD1 LEU A 135 -3.668 13.188 6.647 1.00 0.00 C ATOM 881 CD2 LEU A 135 -3.053 13.791 4.296 1.00 0.00 C ATOM 0 H LEU A 135 -4.763 10.909 7.086 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.868 11.019 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -2.994 11.043 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.503 11.379 3.780 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.990 13.230 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.783 14.249 6.867 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.366 12.614 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.648 12.878 6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.174 14.842 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -2.015 13.496 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.322 13.646 3.250 1.00 0.00 H new ATOM 893 N PHE A 136 -4.234 8.354 5.463 1.00 0.00 N ATOM 894 CA PHE A 136 -3.792 7.019 5.096 1.00 0.00 C ATOM 895 C PHE A 136 -4.925 6.023 5.281 1.00 0.00 C ATOM 896 O PHE A 136 -5.050 5.062 4.528 1.00 0.00 O ATOM 897 CB PHE A 136 -2.581 6.611 5.932 1.00 0.00 C ATOM 898 CG PHE A 136 -1.847 5.413 5.398 1.00 0.00 C ATOM 899 CD1 PHE A 136 -0.841 5.568 4.458 1.00 0.00 C ATOM 900 CD2 PHE A 136 -2.156 4.138 5.840 1.00 0.00 C ATOM 901 CE1 PHE A 136 -0.154 4.473 3.972 1.00 0.00 C ATOM 902 CE2 PHE A 136 -1.474 3.037 5.356 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.472 3.208 4.421 1.00 0.00 C ATOM 0 H PHE A 136 -4.089 8.595 6.443 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.500 7.024 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.890 7.453 5.988 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.909 6.400 6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.591 6.556 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.939 4.002 6.571 1.00 0.00 H new ATOM 0 HE1 PHE A 136 0.631 4.607 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.724 2.047 5.708 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.063 2.350 4.041 1.00 0.00 H new ATOM 913 N VAL A 137 -5.750 6.269 6.288 1.00 0.00 N ATOM 914 CA VAL A 137 -6.898 5.416 6.563 1.00 0.00 C ATOM 915 C VAL A 137 -7.829 5.345 5.356 1.00 0.00 C ATOM 916 O VAL A 137 -8.229 4.263 4.934 1.00 0.00 O ATOM 917 CB VAL A 137 -7.688 5.915 7.785 1.00 0.00 C ATOM 918 CG1 VAL A 137 -6.887 5.769 9.064 1.00 0.00 C ATOM 919 CG2 VAL A 137 -8.123 7.334 7.598 1.00 0.00 C ATOM 0 H VAL A 137 -5.646 7.055 6.930 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.511 4.420 6.777 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.577 5.290 7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -7.477 6.131 9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -6.639 4.719 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.969 6.351 8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -8.679 7.663 8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.247 7.969 7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.760 7.406 6.717 1.00 0.00 H new ATOM 929 N GLU A 138 -8.163 6.510 4.817 1.00 0.00 N ATOM 930 CA GLU A 138 -8.983 6.614 3.618 1.00 0.00 C ATOM 931 C GLU A 138 -8.283 5.967 2.436 1.00 0.00 C ATOM 932 O GLU A 138 -8.912 5.273 1.640 1.00 0.00 O ATOM 933 CB GLU A 138 -9.278 8.077 3.302 1.00 0.00 C ATOM 934 CG GLU A 138 -10.011 8.802 4.413 1.00 0.00 C ATOM 935 CD GLU A 138 -11.347 8.171 4.743 1.00 0.00 C ATOM 936 OE1 GLU A 138 -12.158 7.959 3.814 1.00 0.00 O ATOM 937 OE2 GLU A 138 -11.599 7.888 5.932 1.00 0.00 O ATOM 0 H GLU A 138 -7.873 7.410 5.199 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.922 6.092 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -8.339 8.593 3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.873 8.130 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -9.388 8.812 5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -10.167 9.841 4.122 1.00 0.00 H new ATOM 944 N PHE A 139 -6.979 6.198 2.334 1.00 0.00 N ATOM 945 CA PHE A 139 -6.167 5.585 1.295 1.00 0.00 C ATOM 946 C PHE A 139 -6.323 4.073 1.349 1.00 0.00 C ATOM 947 O PHE A 139 -6.608 3.424 0.341 1.00 0.00 O ATOM 948 CB PHE A 139 -4.700 5.983 1.488 1.00 0.00 C ATOM 949 CG PHE A 139 -3.731 5.216 0.632 1.00 0.00 C ATOM 950 CD1 PHE A 139 -2.936 4.229 1.191 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.616 5.479 -0.722 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.043 3.518 0.414 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.722 4.770 -1.503 1.00 0.00 C ATOM 954 CZ PHE A 139 -1.936 3.788 -0.934 1.00 0.00 C ATOM 0 H PHE A 139 -6.461 6.810 2.964 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.498 5.934 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.593 7.046 1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.432 5.841 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -3.015 4.013 2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.230 6.245 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -1.429 2.751 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.639 4.984 -2.558 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.239 3.232 -1.543 1.00 0.00 H new ATOM 964 N ALA A 140 -6.163 3.533 2.546 1.00 0.00 N ATOM 965 CA ALA A 140 -6.326 2.111 2.779 1.00 0.00 C ATOM 966 C ALA A 140 -7.759 1.681 2.501 1.00 0.00 C ATOM 967 O ALA A 140 -7.993 0.736 1.752 1.00 0.00 O ATOM 968 CB ALA A 140 -5.931 1.768 4.206 1.00 0.00 C ATOM 0 H ALA A 140 -5.917 4.067 3.379 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.673 1.569 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.057 0.698 4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.888 2.040 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.564 2.319 4.901 1.00 0.00 H new ATOM 974 N ASP A 141 -8.710 2.421 3.061 1.00 0.00 N ATOM 975 CA ASP A 141 -10.128 2.080 2.954 1.00 0.00 C ATOM 976 C ASP A 141 -10.561 2.039 1.495 1.00 0.00 C ATOM 977 O ASP A 141 -11.437 1.265 1.108 1.00 0.00 O ATOM 978 CB ASP A 141 -10.970 3.093 3.739 1.00 0.00 C ATOM 979 CG ASP A 141 -12.459 2.953 3.498 1.00 0.00 C ATOM 980 OD1 ASP A 141 -13.046 1.925 3.895 1.00 0.00 O ATOM 981 OD2 ASP A 141 -13.056 3.890 2.925 1.00 0.00 O ATOM 0 H ASP A 141 -8.524 3.268 3.598 1.00 0.00 H new ATOM 0 HA ASP A 141 -10.284 1.089 3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.769 2.974 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.659 4.102 3.467 1.00 0.00 H new ATOM 986 N CYS A 142 -9.915 2.860 0.686 1.00 0.00 N ATOM 987 CA CYS A 142 -10.188 2.910 -0.736 1.00 0.00 C ATOM 988 C CYS A 142 -9.570 1.719 -1.464 1.00 0.00 C ATOM 989 O CYS A 142 -10.265 0.997 -2.175 1.00 0.00 O ATOM 990 CB CYS A 142 -9.654 4.217 -1.315 1.00 0.00 C ATOM 991 SG CYS A 142 -10.606 5.679 -0.842 1.00 0.00 S ATOM 0 H CYS A 142 -9.190 3.507 0.996 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.267 2.862 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.621 4.349 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.641 4.141 -2.402 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.263 6.052 0.355 1.00 0.00 H new ATOM 997 N CYS A 143 -8.272 1.496 -1.262 1.00 0.00 N ATOM 998 CA CYS A 143 -7.560 0.466 -2.007 1.00 0.00 C ATOM 999 C CYS A 143 -8.091 -0.928 -1.681 1.00 0.00 C ATOM 1000 O CYS A 143 -8.098 -1.808 -2.538 1.00 0.00 O ATOM 1001 CB CYS A 143 -6.054 0.545 -1.735 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.594 0.357 0.000 1.00 0.00 S ATOM 0 H CYS A 143 -7.699 2.011 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.732 0.648 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.552 -0.228 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.683 1.505 -2.094 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.667 0.229 0.722 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.570 -1.110 -0.452 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.093 -2.403 -0.021 1.00 0.00 C ATOM 1010 C LEU A 144 -10.266 -2.829 -0.893 1.00 0.00 C ATOM 1011 O LEU A 144 -10.325 -3.970 -1.347 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.526 -2.350 1.446 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.422 -1.974 2.436 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -8.954 -1.968 3.858 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.239 -2.916 2.303 1.00 0.00 C ATOM 0 H LEU A 144 -8.606 -0.381 0.260 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.295 -3.138 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.339 -1.631 1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.927 -3.324 1.726 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.080 -0.966 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.152 -1.698 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.763 -1.242 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.330 -2.960 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.465 -2.631 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.562 -3.937 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.839 -2.857 1.291 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.174 -1.897 -1.156 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.350 -2.210 -1.946 1.00 0.00 C ATOM 1029 C GLY A 145 -12.024 -2.411 -3.413 1.00 0.00 C ATOM 1030 O GLY A 145 -12.834 -2.941 -4.171 1.00 0.00 O ATOM 0 H GLY A 145 -11.117 -0.930 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.818 -3.113 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.077 -1.404 -1.845 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.838 -1.981 -3.813 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.405 -2.111 -5.193 1.00 0.00 C ATOM 1036 C ILE A 146 -9.651 -3.423 -5.418 1.00 0.00 C ATOM 1037 O ILE A 146 -9.791 -4.058 -6.463 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.501 -0.926 -5.597 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.228 0.399 -5.348 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -9.086 -1.040 -7.058 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.338 1.615 -5.479 1.00 0.00 C ATOM 0 H ILE A 146 -10.156 -1.537 -3.198 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.300 -2.110 -5.815 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.600 -0.952 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -11.055 0.487 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.661 0.383 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.450 -0.195 -7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.537 -1.969 -7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.974 -1.037 -7.690 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.922 2.516 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.525 1.550 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.925 1.657 -6.487 1.00 0.00 H new ATOM 1053 N VAL A 147 -8.865 -3.840 -4.432 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.000 -5.003 -4.597 1.00 0.00 C ATOM 1055 C VAL A 147 -8.653 -6.281 -4.088 1.00 0.00 C ATOM 1056 O VAL A 147 -8.007 -7.330 -4.038 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.647 -4.822 -3.884 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -5.921 -3.596 -4.411 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -6.839 -4.734 -2.380 1.00 0.00 C ATOM 0 H VAL A 147 -8.808 -3.394 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 147 -7.831 -5.092 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.031 -5.696 -4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -4.968 -3.487 -3.894 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.743 -3.710 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.531 -2.709 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -5.871 -4.606 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.477 -3.883 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.307 -5.650 -2.019 1.00 0.00 H new ATOM 1069 N GLU A 148 -9.916 -6.192 -3.695 1.00 0.00 N ATOM 1070 CA GLU A 148 -10.666 -7.376 -3.304 1.00 0.00 C ATOM 1071 C GLU A 148 -10.800 -8.328 -4.484 1.00 0.00 C ATOM 1072 O GLU A 148 -11.409 -7.989 -5.498 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.047 -7.005 -2.762 1.00 0.00 C ATOM 1074 CG GLU A 148 -12.027 -6.564 -1.309 1.00 0.00 C ATOM 1075 CD GLU A 148 -11.504 -7.648 -0.385 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -10.269 -7.796 -0.271 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -12.325 -8.358 0.235 1.00 0.00 O ATOM 0 H GLU A 148 -10.439 -5.318 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.116 -7.875 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -12.465 -6.204 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.712 -7.863 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -11.405 -5.674 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -13.035 -6.284 -1.003 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.834 -7.547 9.355 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.925 -6.410 9.390 1.00 0.00 C ATOM 1199 C ILE B 463 -5.505 -6.808 8.996 1.00 0.00 C ATOM 1200 O ILE B 463 -4.807 -6.034 8.350 1.00 0.00 O ATOM 1201 CB ILE B 463 -6.913 -5.750 10.786 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -8.331 -5.319 11.168 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -5.965 -4.555 10.815 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -8.447 -4.786 12.577 1.00 0.00 C ATOM 0 HA ILE B 463 -7.293 -5.689 8.660 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.555 -6.479 11.513 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -8.668 -4.552 10.470 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -9.002 -6.170 11.055 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -5.974 -4.107 11.809 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -4.955 -4.886 10.576 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -6.288 -3.816 10.081 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -9.480 -4.501 12.774 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -8.142 -5.557 13.284 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -7.802 -3.914 12.690 1.00 0.00 H new ATOM 1216 N ARG B 464 -5.084 -8.012 9.372 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.753 -8.496 9.005 1.00 0.00 C ATOM 1218 C ARG B 464 -3.604 -8.498 7.491 1.00 0.00 C ATOM 1219 O ARG B 464 -2.591 -8.057 6.944 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.509 -9.905 9.549 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.484 -9.981 11.065 1.00 0.00 C ATOM 1222 CD ARG B 464 -3.249 -11.401 11.547 1.00 0.00 C ATOM 1223 NE ARG B 464 -1.943 -11.920 11.140 1.00 0.00 N ATOM 1224 CZ ARG B 464 -1.474 -13.110 11.511 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -2.212 -13.911 12.269 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -0.274 -13.504 11.110 1.00 0.00 N ATOM 0 H ARG B 464 -5.637 -8.666 9.925 1.00 0.00 H new ATOM 0 HA ARG B 464 -3.014 -7.826 9.445 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -4.288 -10.569 9.174 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -2.560 -10.275 9.160 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -2.699 -9.330 11.450 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -4.429 -9.612 11.464 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -3.326 -11.430 12.634 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -4.033 -12.049 11.155 1.00 0.00 H new ATOM 0 HE ARG B 464 -1.359 -11.338 10.539 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -3.141 -13.616 12.569 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -1.850 -14.822 12.552 1.00 0.00 H new ATOM 0 HH21 ARG B 464 0.291 -12.896 10.517 1.00 0.00 H new ATOM 0 HH22 ARG B 464 0.085 -14.415 11.394 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.639 -8.984 6.827 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.701 -8.987 5.381 1.00 0.00 C ATOM 1242 C HIS B 465 -4.754 -7.561 4.852 1.00 0.00 C ATOM 1243 O HIS B 465 -3.914 -7.155 4.059 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.928 -9.781 4.917 1.00 0.00 C ATOM 1245 CG HIS B 465 -6.278 -9.578 3.477 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.580 -10.151 2.443 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -7.260 -8.849 2.907 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -6.121 -9.787 1.296 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -7.144 -8.997 1.551 1.00 0.00 N ATOM 0 H HIS B 465 -5.460 -9.387 7.279 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.804 -9.464 4.986 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.747 -10.842 5.090 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.783 -9.499 5.531 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -8.001 -8.258 3.425 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -5.783 -10.086 0.315 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -7.750 -8.566 0.853 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.727 -6.805 5.327 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.981 -5.467 4.818 1.00 0.00 C ATOM 1260 C GLU B 466 -4.776 -4.540 5.005 1.00 0.00 C ATOM 1261 O GLU B 466 -4.468 -3.738 4.128 1.00 0.00 O ATOM 1262 CB GLU B 466 -7.229 -4.892 5.492 1.00 0.00 C ATOM 1263 CG GLU B 466 -8.507 -5.616 5.088 1.00 0.00 C ATOM 1264 CD GLU B 466 -9.695 -5.275 5.965 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -10.180 -4.130 5.907 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -10.165 -6.168 6.704 1.00 0.00 O ATOM 0 H GLU B 466 -6.360 -7.097 6.071 1.00 0.00 H new ATOM 0 HA GLU B 466 -6.153 -5.538 3.744 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -7.111 -4.950 6.574 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -7.320 -3.836 5.237 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.745 -5.367 4.054 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.334 -6.692 5.126 1.00 0.00 H new ATOM 1273 N ARG B 467 -4.083 -4.672 6.129 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.951 -3.823 6.435 1.00 0.00 C ATOM 1275 C ARG B 467 -1.740 -4.163 5.566 1.00 0.00 C ATOM 1276 O ARG B 467 -1.074 -3.268 5.051 1.00 0.00 O ATOM 1277 CB ARG B 467 -2.603 -3.965 7.913 1.00 0.00 C ATOM 1278 CG ARG B 467 -1.827 -2.788 8.447 1.00 0.00 C ATOM 1279 CD ARG B 467 -1.552 -2.921 9.936 1.00 0.00 C ATOM 1280 NE ARG B 467 -0.565 -3.958 10.232 1.00 0.00 N ATOM 1281 CZ ARG B 467 -0.441 -4.550 11.421 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -1.257 -4.221 12.421 1.00 0.00 N ATOM 1283 NH2 ARG B 467 0.498 -5.470 11.608 1.00 0.00 N ATOM 0 H ARG B 467 -4.292 -5.367 6.846 1.00 0.00 H new ATOM 0 HA ARG B 467 -3.224 -2.790 6.218 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -3.522 -4.080 8.488 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -2.020 -4.875 8.058 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -0.883 -2.701 7.909 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -2.385 -1.870 8.261 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -1.198 -1.966 10.324 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -2.483 -3.151 10.455 1.00 0.00 H new ATOM 0 HE ARG B 467 0.067 -4.246 9.485 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -1.979 -3.515 12.279 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -1.160 -4.675 13.329 1.00 0.00 H new ATOM 0 HH21 ARG B 467 1.123 -5.723 10.843 1.00 0.00 H new ATOM 0 HH22 ARG B 467 0.594 -5.923 12.517 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.460 -5.452 5.378 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.299 -5.849 4.586 1.00 0.00 C ATOM 1299 C ASN B 468 -0.604 -5.656 3.110 1.00 0.00 C ATOM 1300 O ASN B 468 0.295 -5.495 2.288 1.00 0.00 O ATOM 1301 CB ASN B 468 0.118 -7.303 4.866 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.545 -8.319 3.950 1.00 0.00 C ATOM 1303 OD1 ASN B 468 -0.057 -8.592 2.848 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.630 -8.915 4.407 1.00 0.00 N ATOM 0 H ASN B 468 -2.009 -6.225 5.755 1.00 0.00 H new ATOM 0 HA ASN B 468 0.541 -5.216 4.872 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.200 -7.387 4.763 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.124 -7.548 5.900 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -2.095 -9.628 3.845 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -2.003 -8.663 5.322 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.894 -5.666 2.793 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.376 -5.386 1.452 1.00 0.00 C ATOM 1313 C VAL B 469 -1.926 -4.000 0.995 1.00 0.00 C ATOM 1314 O VAL B 469 -1.652 -3.777 -0.188 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.920 -5.506 1.407 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.541 -4.526 0.427 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.327 -6.925 1.059 1.00 0.00 C ATOM 0 H VAL B 469 -2.635 -5.870 3.464 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.950 -6.119 0.767 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.295 -5.256 2.400 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.624 -4.646 0.429 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.288 -3.507 0.722 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.157 -4.720 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.414 -6.995 1.031 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.921 -7.191 0.083 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.939 -7.610 1.813 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.819 -3.083 1.949 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.433 -1.711 1.657 1.00 0.00 C ATOM 1329 C ILE B 470 -0.021 -1.656 1.079 1.00 0.00 C ATOM 1330 O ILE B 470 0.254 -0.867 0.178 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.504 -0.823 2.915 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -2.831 -1.028 3.653 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.338 0.638 2.534 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.053 -0.776 2.798 1.00 0.00 C ATOM 0 H ILE B 470 -1.996 -3.268 2.936 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.141 -1.329 0.921 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.692 -1.111 3.583 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -2.870 -2.049 4.033 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -2.861 -0.364 4.517 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.390 1.256 3.430 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.372 0.780 2.051 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.133 0.928 1.847 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -4.952 -0.942 3.391 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.040 0.253 2.439 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.049 -1.458 1.947 1.00 0.00 H new ATOM 1346 N LEU B 471 0.863 -2.512 1.595 1.00 0.00 N ATOM 1347 CA LEU B 471 2.244 -2.596 1.114 1.00 0.00 C ATOM 1348 C LEU B 471 2.291 -2.805 -0.398 1.00 0.00 C ATOM 1349 O LEU B 471 3.097 -2.187 -1.095 1.00 0.00 O ATOM 1350 CB LEU B 471 2.981 -3.745 1.811 1.00 0.00 C ATOM 1351 CG LEU B 471 3.045 -3.655 3.338 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.711 -4.893 3.917 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.789 -2.402 3.770 1.00 0.00 C ATOM 0 H LEU B 471 0.645 -3.161 2.351 1.00 0.00 H new ATOM 0 HA LEU B 471 2.735 -1.652 1.350 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.496 -4.683 1.539 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.999 -3.789 1.424 1.00 0.00 H new ATOM 0 HG LEU B 471 2.026 -3.599 3.720 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.748 -4.812 5.003 1.00 0.00 H new ATOM 0 HD12 LEU B 471 3.139 -5.778 3.638 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.724 -4.978 3.525 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.824 -2.356 4.858 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.805 -2.428 3.375 1.00 0.00 H new ATOM 0 HD23 LEU B 471 3.273 -1.522 3.386 1.00 0.00 H new ATOM 1365 N GLN B 472 1.415 -3.673 -0.892 1.00 0.00 N ATOM 1366 CA GLN B 472 1.323 -3.949 -2.322 1.00 0.00 C ATOM 1367 C GLN B 472 0.855 -2.709 -3.073 1.00 0.00 C ATOM 1368 O GLN B 472 1.396 -2.367 -4.124 1.00 0.00 O ATOM 1369 CB GLN B 472 0.365 -5.111 -2.596 1.00 0.00 C ATOM 1370 CG GLN B 472 0.914 -6.490 -2.248 1.00 0.00 C ATOM 1371 CD GLN B 472 1.181 -6.675 -0.768 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.293 -6.451 -0.288 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.155 -7.062 -0.032 1.00 0.00 N ATOM 0 H GLN B 472 0.755 -4.200 -0.320 1.00 0.00 H new ATOM 0 HA GLN B 472 2.316 -4.228 -2.674 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.552 -4.948 -2.031 1.00 0.00 H new ATOM 0 HB3 GLN B 472 0.095 -5.099 -3.652 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.206 -7.249 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.839 -6.655 -2.800 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.750 -7.237 -0.470 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.267 -7.186 0.974 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.143 -2.036 -2.512 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.708 -0.839 -3.116 1.00 0.00 C ATOM 1384 C CYS B 473 0.347 0.259 -3.220 1.00 0.00 C ATOM 1385 O CYS B 473 0.595 0.797 -4.298 1.00 0.00 O ATOM 1386 CB CYS B 473 -1.896 -0.357 -2.281 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.144 -1.633 -1.985 1.00 0.00 S ATOM 0 H CYS B 473 -0.580 -2.304 -1.630 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.050 -1.078 -4.123 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.530 0.009 -1.322 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.365 0.487 -2.787 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.634 -2.576 -1.250 1.00 0.00 H new ATOM 1393 N VAL B 474 0.963 0.565 -2.083 1.00 0.00 N ATOM 1394 CA VAL B 474 2.045 1.536 -1.999 1.00 0.00 C ATOM 1395 C VAL B 474 3.102 1.301 -3.077 1.00 0.00 C ATOM 1396 O VAL B 474 3.414 2.201 -3.861 1.00 0.00 O ATOM 1397 CB VAL B 474 2.718 1.465 -0.610 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.947 2.352 -0.547 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.734 1.844 0.485 1.00 0.00 C ATOM 0 H VAL B 474 0.722 0.142 -1.187 1.00 0.00 H new ATOM 0 HA VAL B 474 1.608 2.522 -2.154 1.00 0.00 H new ATOM 0 HB VAL B 474 3.037 0.435 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL B 474 4.397 2.280 0.443 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.668 2.029 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.660 3.386 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL B 474 2.229 1.787 1.455 1.00 0.00 H new ATOM 0 HG22 VAL B 474 1.378 2.861 0.318 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.889 1.156 0.468 1.00 0.00 H new ATOM 1409 N ARG B 475 3.626 0.081 -3.131 1.00 0.00 N ATOM 1410 CA ARG B 475 4.741 -0.228 -4.016 1.00 0.00 C ATOM 1411 C ARG B 475 4.329 -0.164 -5.479 1.00 0.00 C ATOM 1412 O ARG B 475 5.112 0.263 -6.327 1.00 0.00 O ATOM 1413 CB ARG B 475 5.331 -1.598 -3.687 1.00 0.00 C ATOM 1414 CG ARG B 475 6.469 -1.995 -4.611 1.00 0.00 C ATOM 1415 CD ARG B 475 7.431 -2.946 -3.930 1.00 0.00 C ATOM 1416 NE ARG B 475 8.113 -2.305 -2.811 1.00 0.00 N ATOM 1417 CZ ARG B 475 9.021 -2.900 -2.048 1.00 0.00 C ATOM 1418 NH1 ARG B 475 9.371 -4.163 -2.274 1.00 0.00 N ATOM 1419 NH2 ARG B 475 9.595 -2.220 -1.067 1.00 0.00 N ATOM 0 H ARG B 475 3.297 -0.707 -2.574 1.00 0.00 H new ATOM 0 HA ARG B 475 5.507 0.530 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG B 475 5.691 -1.594 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG B 475 4.544 -2.350 -3.746 1.00 0.00 H new ATOM 0 HG2 ARG B 475 6.064 -2.465 -5.507 1.00 0.00 H new ATOM 0 HG3 ARG B 475 7.005 -1.103 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG B 475 6.888 -3.821 -3.574 1.00 0.00 H new ATOM 0 HD3 ARG B 475 8.167 -3.300 -4.652 1.00 0.00 H new ATOM 0 HE ARG B 475 7.876 -1.335 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG B 475 8.941 -4.682 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG B 475 10.070 -4.612 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG B 475 9.338 -1.247 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG B 475 10.294 -2.670 -0.476 1.00 0.00 H new ATOM 1433 N TYR B 476 3.104 -0.572 -5.777 1.00 0.00 N ATOM 1434 CA TYR B 476 2.606 -0.522 -7.136 1.00 0.00 C ATOM 1435 C TYR B 476 2.518 0.928 -7.611 1.00 0.00 C ATOM 1436 O TYR B 476 2.903 1.253 -8.736 1.00 0.00 O ATOM 1437 CB TYR B 476 1.238 -1.210 -7.223 1.00 0.00 C ATOM 1438 CG TYR B 476 0.336 -0.611 -8.272 1.00 0.00 C ATOM 1439 CD1 TYR B 476 0.384 -1.029 -9.596 1.00 0.00 C ATOM 1440 CD2 TYR B 476 -0.540 0.405 -7.933 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -0.418 -0.442 -10.551 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -1.350 0.993 -8.879 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.285 0.568 -10.188 1.00 0.00 C ATOM 1444 OH TYR B 476 -2.082 1.161 -11.139 1.00 0.00 O ATOM 0 H TYR B 476 2.441 -0.940 -5.095 1.00 0.00 H new ATOM 0 HA TYR B 476 3.298 -1.054 -7.788 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.384 -2.268 -7.440 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.746 -1.149 -6.252 1.00 0.00 H new ATOM 0 HD1 TYR B 476 1.058 -1.824 -9.880 1.00 0.00 H new ATOM 0 HD2 TYR B 476 -0.589 0.743 -6.908 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -0.368 -0.771 -11.578 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -2.031 1.782 -8.597 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.870 0.602 -11.300 1.00 0.00 H new ATOM 1454 N ILE B 477 2.020 1.796 -6.739 1.00 0.00 N ATOM 1455 CA ILE B 477 1.851 3.200 -7.073 1.00 0.00 C ATOM 1456 C ILE B 477 3.201 3.874 -7.253 1.00 0.00 C ATOM 1457 O ILE B 477 3.480 4.441 -8.306 1.00 0.00 O ATOM 1458 CB ILE B 477 1.030 3.935 -5.996 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.376 3.337 -5.934 1.00 0.00 C ATOM 1460 CG2 ILE B 477 0.971 5.427 -6.292 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -1.197 3.821 -4.765 1.00 0.00 C ATOM 0 H ILE B 477 1.726 1.549 -5.794 1.00 0.00 H new ATOM 0 HA ILE B 477 1.303 3.253 -8.014 1.00 0.00 H new ATOM 0 HB ILE B 477 1.513 3.808 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.902 3.576 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.296 2.251 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.387 5.928 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE B 477 1.981 5.836 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.502 5.587 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -2.180 3.351 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.695 3.558 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.310 4.904 -4.823 1.00 0.00 H new ATOM 1473 N ILE B 478 4.051 3.778 -6.236 1.00 0.00 N ATOM 1474 CA ILE B 478 5.406 4.323 -6.310 1.00 0.00 C ATOM 1475 C ILE B 478 6.152 3.776 -7.529 1.00 0.00 C ATOM 1476 O ILE B 478 7.084 4.405 -8.040 1.00 0.00 O ATOM 1477 CB ILE B 478 6.220 3.995 -5.035 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.501 4.520 -3.792 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.626 4.584 -5.117 1.00 0.00 C ATOM 1480 CD1 ILE B 478 6.240 4.231 -2.506 1.00 0.00 C ATOM 0 H ILE B 478 3.827 3.328 -5.349 1.00 0.00 H new ATOM 0 HA ILE B 478 5.306 5.405 -6.399 1.00 0.00 H new ATOM 0 HB ILE B 478 6.307 2.911 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.362 5.597 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.508 4.074 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.177 4.339 -4.209 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.145 4.167 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.561 5.667 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.675 4.631 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.356 3.154 -2.387 1.00 0.00 H new ATOM 0 HD13 ILE B 478 7.223 4.700 -2.538 1.00 0.00 H new ATOM 1492 N LYS B 479 5.716 2.618 -8.009 1.00 0.00 N ATOM 1493 CA LYS B 479 6.393 1.941 -9.099 1.00 0.00 C ATOM 1494 C LYS B 479 6.224 2.684 -10.426 1.00 0.00 C ATOM 1495 O LYS B 479 7.203 2.925 -11.127 1.00 0.00 O ATOM 1496 CB LYS B 479 5.889 0.503 -9.234 1.00 0.00 C ATOM 1497 CG LYS B 479 6.676 -0.333 -10.231 1.00 0.00 C ATOM 1498 CD LYS B 479 8.054 -0.704 -9.703 1.00 0.00 C ATOM 1499 CE LYS B 479 7.964 -1.669 -8.533 1.00 0.00 C ATOM 1500 NZ LYS B 479 9.305 -2.026 -8.003 1.00 0.00 N ATOM 0 H LYS B 479 4.893 2.129 -7.656 1.00 0.00 H new ATOM 0 HA LYS B 479 7.456 1.927 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS B 479 5.930 0.021 -8.257 1.00 0.00 H new ATOM 0 HB3 LYS B 479 4.842 0.522 -9.537 1.00 0.00 H new ATOM 0 HG2 LYS B 479 6.119 -1.242 -10.461 1.00 0.00 H new ATOM 0 HG3 LYS B 479 6.782 0.221 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS B 479 8.641 -1.155 -10.503 1.00 0.00 H new ATOM 0 HD3 LYS B 479 8.580 0.198 -9.391 1.00 0.00 H new ATOM 0 HE2 LYS B 479 7.367 -1.221 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS B 479 7.446 -2.575 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 9.199 -2.686 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 9.866 -2.477 -8.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 9.790 -1.165 -7.678 1.00 0.00 H new ATOM 1514 N LYS B 480 4.998 3.058 -10.772 1.00 0.00 N ATOM 1515 CA LYS B 480 4.764 3.724 -12.049 1.00 0.00 C ATOM 1516 C LYS B 480 4.555 5.219 -11.867 1.00 0.00 C ATOM 1517 O LYS B 480 4.648 5.988 -12.824 1.00 0.00 O ATOM 1518 CB LYS B 480 3.534 3.143 -12.757 1.00 0.00 C ATOM 1519 CG LYS B 480 3.667 1.689 -13.176 1.00 0.00 C ATOM 1520 CD LYS B 480 3.363 0.732 -12.038 1.00 0.00 C ATOM 1521 CE LYS B 480 3.307 -0.710 -12.520 1.00 0.00 C ATOM 1522 NZ LYS B 480 4.584 -1.146 -13.147 1.00 0.00 N ATOM 0 H LYS B 480 4.165 2.916 -10.200 1.00 0.00 H new ATOM 0 HA LYS B 480 5.653 3.555 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS B 480 2.673 3.238 -12.096 1.00 0.00 H new ATOM 0 HB3 LYS B 480 3.324 3.744 -13.642 1.00 0.00 H new ATOM 0 HG2 LYS B 480 2.990 1.489 -14.007 1.00 0.00 H new ATOM 0 HG3 LYS B 480 4.679 1.509 -13.539 1.00 0.00 H new ATOM 0 HD2 LYS B 480 4.127 0.829 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.411 1.001 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS B 480 3.076 -1.363 -11.678 1.00 0.00 H new ATOM 0 HE3 LYS B 480 2.496 -0.819 -13.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 4.574 -2.178 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 4.692 -0.684 -14.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 5.380 -0.881 -12.533 1.00 0.00 H new