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 -9:sc= 0.253 USER MOD Set 1.2: B 473 CYS SG : rot 175:sc= 0.115 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 91 ASN : amide:sc= -0.226 K(o=-0.23,f=-4.5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.595 K(o=0.6,f=-0.0081) USER MOD Single : A 98 SER OG : rot 110:sc= 0.0037 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 111:sc= 1.32 USER MOD Single : A 107 ASN : amide:sc= 1.21 K(o=1.2,f=-0.052) USER MOD Single : A 109 HIS : no HD1:sc= -0.722 K(o=-0.72,f=-6.8!) USER MOD Single : A 112 GLN : amide:sc= -0.894 K(o=-0.89,f=-0.33) USER MOD Single : A 114 MET CE :methyl 167:sc= -0.348 (180deg=-0.611) USER MOD Single : A 116 ASN : amide:sc= -0.0962 K(o=-0.096,f=-1.5!) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 123 LYS NZ :NH3+ 163:sc= 0.124 (180deg=0.0551) USER MOD Single : A 125 LYS NZ :NH3+ 151:sc= 1.2 (180deg=0.504) USER MOD Single : A 127 MET CE :methyl 164:sc= -1.2 (180deg=-2.13!) USER MOD Single : A 130 TYR OH : rot -167:sc= -0.095 USER MOD Single : A 131 MET CE :methyl 158:sc= -4.08! (180deg=-4.61!) USER MOD Single : A 132 GLN : amide:sc= 0.00788 X(o=0.0079,f=-0.49) USER MOD Single : A 142 CYS SG : rot 75:sc= -1.72! USER MOD Single : B 465 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0.13) USER MOD Single : B 468 ASN : amide:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : B 472 GLN : amide:sc= 0.405 K(o=0.41,f=-3.2!) USER MOD Single : B 476 TYR OH : rot -15:sc= 0.0693 USER MOD Single : B 479 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0519) USER MOD Single : B 480 LYS NZ :NH3+ 169:sc= 0.326 (180deg=0.286) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -1.697 -12.291 -0.552 1.00 0.00 N ATOM 71 CA ARG A 86 -1.085 -11.226 -1.328 1.00 0.00 C ATOM 72 C ARG A 86 -1.912 -10.929 -2.569 1.00 0.00 C ATOM 73 O ARG A 86 -2.455 -11.833 -3.206 1.00 0.00 O ATOM 74 CB ARG A 86 0.353 -11.578 -1.711 1.00 0.00 C ATOM 75 CG ARG A 86 1.228 -11.922 -0.515 1.00 0.00 C ATOM 76 CD ARG A 86 2.701 -11.785 -0.851 1.00 0.00 C ATOM 77 NE ARG A 86 3.109 -10.384 -0.951 1.00 0.00 N ATOM 78 CZ ARG A 86 4.096 -9.945 -1.728 1.00 0.00 C ATOM 79 NH1 ARG A 86 4.786 -10.796 -2.476 1.00 0.00 N ATOM 80 NH2 ARG A 86 4.393 -8.652 -1.752 1.00 0.00 N ATOM 0 HA ARG A 86 -1.056 -10.331 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.342 -12.423 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.795 -10.737 -2.246 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.981 -11.266 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.020 -12.942 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.296 -12.283 -0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.907 -12.291 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 86 2.604 -9.699 -0.389 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.561 -11.791 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.542 -10.456 -3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.865 -7.997 -1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.149 -8.313 -2.347 1.00 0.00 H new ATOM 94 N VAL A 87 -1.991 -9.652 -2.907 1.00 0.00 N ATOM 95 CA VAL A 87 -2.873 -9.185 -3.964 1.00 0.00 C ATOM 96 C VAL A 87 -2.250 -9.378 -5.341 1.00 0.00 C ATOM 97 O VAL A 87 -1.092 -9.023 -5.568 1.00 0.00 O ATOM 98 CB VAL A 87 -3.219 -7.695 -3.773 1.00 0.00 C ATOM 99 CG1 VAL A 87 -4.236 -7.241 -4.805 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.733 -7.437 -2.367 1.00 0.00 C ATOM 0 H VAL A 87 -1.449 -8.914 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.783 -9.782 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.307 -7.116 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.465 -6.187 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.826 -7.381 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.148 -7.829 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.971 -6.379 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.630 -8.031 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.967 -7.715 -1.643 1.00 0.00 H new ATOM 110 N SER A 88 -3.034 -9.949 -6.246 1.00 0.00 N ATOM 111 CA SER A 88 -2.624 -10.138 -7.628 1.00 0.00 C ATOM 112 C SER A 88 -2.409 -8.788 -8.311 1.00 0.00 C ATOM 113 O SER A 88 -3.123 -7.818 -8.043 1.00 0.00 O ATOM 114 CB SER A 88 -3.701 -10.940 -8.359 1.00 0.00 C ATOM 115 OG SER A 88 -4.056 -12.096 -7.615 1.00 0.00 O ATOM 0 H SER A 88 -3.972 -10.294 -6.041 1.00 0.00 H new ATOM 0 HA SER A 88 -1.681 -10.683 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.582 -10.317 -8.516 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.338 -11.233 -9.344 1.00 0.00 H new ATOM 0 HG SER A 88 -4.747 -12.596 -8.097 1.00 0.00 H new ATOM 121 N LEU A 89 -1.420 -8.750 -9.202 1.00 0.00 N ATOM 122 CA LEU A 89 -0.987 -7.521 -9.854 1.00 0.00 C ATOM 123 C LEU A 89 -2.125 -6.909 -10.659 1.00 0.00 C ATOM 124 O LEU A 89 -2.240 -5.692 -10.747 1.00 0.00 O ATOM 125 CB LEU A 89 0.217 -7.811 -10.763 1.00 0.00 C ATOM 126 CG LEU A 89 1.290 -6.709 -10.855 1.00 0.00 C ATOM 127 CD1 LEU A 89 0.749 -5.452 -11.517 1.00 0.00 C ATOM 128 CD2 LEU A 89 1.844 -6.377 -9.478 1.00 0.00 C ATOM 0 H LEU A 89 -0.896 -9.576 -9.491 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.690 -6.804 -9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.696 -8.725 -10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.155 -8.010 -11.768 1.00 0.00 H new ATOM 0 HG LEU A 89 2.097 -7.096 -11.477 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.535 -4.698 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.413 -5.688 -12.527 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.089 -5.067 -10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.600 -5.597 -9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.036 -6.027 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.294 -7.269 -9.042 1.00 0.00 H new ATOM 140 N GLN A 90 -2.971 -7.756 -11.237 1.00 0.00 N ATOM 141 CA GLN A 90 -4.117 -7.277 -12.004 1.00 0.00 C ATOM 142 C GLN A 90 -5.054 -6.463 -11.122 1.00 0.00 C ATOM 143 O GLN A 90 -5.555 -5.418 -11.539 1.00 0.00 O ATOM 144 CB GLN A 90 -4.878 -8.440 -12.648 1.00 0.00 C ATOM 145 CG GLN A 90 -5.458 -9.429 -11.652 1.00 0.00 C ATOM 146 CD GLN A 90 -6.258 -10.525 -12.317 1.00 0.00 C ATOM 147 OE1 GLN A 90 -5.971 -10.927 -13.446 1.00 0.00 O ATOM 148 NE2 GLN A 90 -7.271 -11.015 -11.626 1.00 0.00 N ATOM 0 H GLN A 90 -2.886 -8.771 -11.190 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.737 -6.635 -12.799 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.687 -8.037 -13.257 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.206 -8.971 -13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.648 -9.875 -11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.096 -8.896 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.475 -10.654 -10.694 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.850 -11.755 -12.024 1.00 0.00 H new ATOM 157 N ASN A 91 -5.264 -6.932 -9.894 1.00 0.00 N ATOM 158 CA ASN A 91 -6.100 -6.222 -8.933 1.00 0.00 C ATOM 159 C ASN A 91 -5.480 -4.879 -8.612 1.00 0.00 C ATOM 160 O ASN A 91 -6.175 -3.872 -8.500 1.00 0.00 O ATOM 161 CB ASN A 91 -6.265 -7.023 -7.637 1.00 0.00 C ATOM 162 CG ASN A 91 -7.169 -8.230 -7.779 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.261 -8.839 -8.845 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.848 -8.585 -6.696 1.00 0.00 N ATOM 0 H ASN A 91 -4.865 -7.802 -9.542 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.084 -6.085 -9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.284 -7.353 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.667 -6.368 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.474 -9.389 -6.728 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.744 -8.054 -5.832 1.00 0.00 H new ATOM 171 N LEU A 92 -4.159 -4.876 -8.497 1.00 0.00 N ATOM 172 CA LEU A 92 -3.415 -3.671 -8.176 1.00 0.00 C ATOM 173 C LEU A 92 -3.463 -2.683 -9.339 1.00 0.00 C ATOM 174 O LEU A 92 -3.485 -1.475 -9.135 1.00 0.00 O ATOM 175 CB LEU A 92 -1.966 -4.025 -7.827 1.00 0.00 C ATOM 176 CG LEU A 92 -1.806 -4.939 -6.611 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.359 -5.372 -6.452 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.291 -4.233 -5.354 1.00 0.00 C ATOM 0 H LEU A 92 -3.578 -5.705 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.876 -3.196 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.506 -4.507 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.414 -3.102 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.414 -5.830 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.267 -6.021 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.041 -5.913 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.271 -4.493 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.172 -4.895 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.706 -3.326 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.343 -3.971 -5.467 1.00 0.00 H new ATOM 190 N LYS A 93 -3.515 -3.211 -10.557 1.00 0.00 N ATOM 191 CA LYS A 93 -3.538 -2.385 -11.767 1.00 0.00 C ATOM 192 C LYS A 93 -4.717 -1.407 -11.798 1.00 0.00 C ATOM 193 O LYS A 93 -4.632 -0.346 -12.420 1.00 0.00 O ATOM 194 CB LYS A 93 -3.578 -3.269 -13.009 1.00 0.00 C ATOM 195 CG LYS A 93 -2.264 -3.966 -13.294 1.00 0.00 C ATOM 196 CD LYS A 93 -2.323 -4.762 -14.583 1.00 0.00 C ATOM 197 CE LYS A 93 -0.983 -5.401 -14.891 1.00 0.00 C ATOM 198 NZ LYS A 93 -1.023 -6.204 -16.138 1.00 0.00 N ATOM 0 H LYS A 93 -3.542 -4.215 -10.737 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.623 -1.793 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.360 -4.019 -12.887 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.852 -2.660 -13.871 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.466 -3.227 -13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.017 -4.631 -12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.088 -5.534 -14.503 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.615 -4.108 -15.405 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.224 -4.624 -14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.686 -6.039 -14.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.087 -6.623 -16.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.729 -6.962 -16.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.281 -5.591 -16.937 1.00 0.00 H new ATOM 212 N ASN A 94 -5.806 -1.758 -11.127 1.00 0.00 N ATOM 213 CA ASN A 94 -7.004 -0.915 -11.127 1.00 0.00 C ATOM 214 C ASN A 94 -6.798 0.339 -10.285 1.00 0.00 C ATOM 215 O ASN A 94 -7.534 1.317 -10.420 1.00 0.00 O ATOM 216 CB ASN A 94 -8.217 -1.673 -10.584 1.00 0.00 C ATOM 217 CG ASN A 94 -8.454 -3.002 -11.261 1.00 0.00 C ATOM 218 OD1 ASN A 94 -9.113 -3.084 -12.296 1.00 0.00 O ATOM 219 ND2 ASN A 94 -7.940 -4.059 -10.657 1.00 0.00 N ATOM 0 H ASN A 94 -5.889 -2.614 -10.578 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.187 -0.631 -12.163 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.082 -1.838 -9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.105 -1.052 -10.701 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.084 -4.990 -11.048 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.400 -3.944 -9.800 1.00 0.00 H new ATOM 226 N LEU A 95 -5.802 0.307 -9.412 1.00 0.00 N ATOM 227 CA LEU A 95 -5.555 1.402 -8.485 1.00 0.00 C ATOM 228 C LEU A 95 -5.014 2.624 -9.212 1.00 0.00 C ATOM 229 O LEU A 95 -5.409 3.752 -8.922 1.00 0.00 O ATOM 230 CB LEU A 95 -4.574 0.967 -7.397 1.00 0.00 C ATOM 231 CG LEU A 95 -5.131 0.016 -6.330 1.00 0.00 C ATOM 232 CD1 LEU A 95 -5.668 -1.261 -6.939 1.00 0.00 C ATOM 233 CD2 LEU A 95 -4.054 -0.306 -5.318 1.00 0.00 C ATOM 0 H LEU A 95 -5.148 -0.471 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.505 1.670 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.722 0.485 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.196 1.860 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.962 0.520 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.053 -1.907 -6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.471 -1.022 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.867 -1.775 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.455 -0.982 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.213 -0.782 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.717 0.614 -4.840 1.00 0.00 H new ATOM 245 N GLY A 96 -4.123 2.390 -10.167 1.00 0.00 N ATOM 246 CA GLY A 96 -3.546 3.476 -10.935 1.00 0.00 C ATOM 247 C GLY A 96 -4.579 4.230 -11.749 1.00 0.00 C ATOM 248 O GLY A 96 -4.362 5.379 -12.129 1.00 0.00 O ATOM 0 H GLY A 96 -3.788 1.462 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.046 4.169 -10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.783 3.077 -11.603 1.00 0.00 H new ATOM 252 N GLU A 97 -5.714 3.589 -12.008 1.00 0.00 N ATOM 253 CA GLU A 97 -6.776 4.214 -12.782 1.00 0.00 C ATOM 254 C GLU A 97 -7.961 4.561 -11.890 1.00 0.00 C ATOM 255 O GLU A 97 -9.006 5.003 -12.366 1.00 0.00 O ATOM 256 CB GLU A 97 -7.214 3.302 -13.929 1.00 0.00 C ATOM 257 CG GLU A 97 -7.579 1.888 -13.499 1.00 0.00 C ATOM 258 CD GLU A 97 -7.933 0.996 -14.670 1.00 0.00 C ATOM 259 OE1 GLU A 97 -9.136 0.833 -14.961 1.00 0.00 O ATOM 260 OE2 GLU A 97 -7.009 0.457 -15.314 1.00 0.00 O ATOM 0 H GLU A 97 -5.920 2.641 -11.694 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.388 5.139 -13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.073 3.751 -14.427 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.411 3.250 -14.664 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.742 1.451 -12.954 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -8.422 1.928 -12.810 1.00 0.00 H new ATOM 267 N SER A 98 -7.782 4.373 -10.594 1.00 0.00 N ATOM 268 CA SER A 98 -8.822 4.662 -9.628 1.00 0.00 C ATOM 269 C SER A 98 -8.919 6.157 -9.393 1.00 0.00 C ATOM 270 O SER A 98 -8.040 6.761 -8.774 1.00 0.00 O ATOM 271 CB SER A 98 -8.546 3.938 -8.310 1.00 0.00 C ATOM 272 OG SER A 98 -9.525 4.252 -7.332 1.00 0.00 O ATOM 0 H SER A 98 -6.917 4.018 -10.186 1.00 0.00 H new ATOM 0 HA SER A 98 -9.772 4.306 -10.027 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.532 2.862 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.559 4.215 -7.941 1.00 0.00 H new ATOM 0 HG SER A 98 -10.087 3.466 -7.168 1.00 0.00 H new ATOM 278 N ALA A 99 -9.998 6.744 -9.898 1.00 0.00 N ATOM 279 CA ALA A 99 -10.245 8.169 -9.761 1.00 0.00 C ATOM 280 C ALA A 99 -10.284 8.580 -8.299 1.00 0.00 C ATOM 281 O ALA A 99 -9.888 9.687 -7.948 1.00 0.00 O ATOM 282 CB ALA A 99 -11.549 8.542 -10.444 1.00 0.00 C ATOM 0 H ALA A 99 -10.723 6.244 -10.412 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.425 8.703 -10.241 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.724 9.612 -10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.490 8.290 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.370 7.992 -9.985 1.00 0.00 H new ATOM 288 N THR A 100 -10.747 7.679 -7.449 1.00 0.00 N ATOM 289 CA THR A 100 -10.837 7.958 -6.027 1.00 0.00 C ATOM 290 C THR A 100 -9.454 7.991 -5.395 1.00 0.00 C ATOM 291 O THR A 100 -9.128 8.892 -4.619 1.00 0.00 O ATOM 292 CB THR A 100 -11.687 6.900 -5.300 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.007 6.873 -5.851 1.00 0.00 O ATOM 294 CG2 THR A 100 -11.749 7.192 -3.806 1.00 0.00 C ATOM 0 H THR A 100 -11.066 6.749 -7.719 1.00 0.00 H new ATOM 0 HA THR A 100 -11.313 8.933 -5.923 1.00 0.00 H new ATOM 0 HB THR A 100 -11.221 5.925 -5.440 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.542 6.197 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.355 6.432 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 100 -10.741 7.180 -3.391 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.196 8.173 -3.645 1.00 0.00 H new ATOM 302 N LEU A 101 -8.633 7.024 -5.767 1.00 0.00 N ATOM 303 CA LEU A 101 -7.359 6.824 -5.109 1.00 0.00 C ATOM 304 C LEU A 101 -6.397 7.940 -5.467 1.00 0.00 C ATOM 305 O LEU A 101 -5.798 8.562 -4.599 1.00 0.00 O ATOM 306 CB LEU A 101 -6.765 5.473 -5.495 1.00 0.00 C ATOM 307 CG LEU A 101 -5.598 5.019 -4.626 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.059 4.785 -3.200 1.00 0.00 C ATOM 309 CD2 LEU A 101 -4.962 3.771 -5.203 1.00 0.00 C ATOM 0 H LEU A 101 -8.828 6.366 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.523 6.837 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.551 4.719 -5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.431 5.521 -6.532 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.845 5.807 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.214 4.461 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.465 5.711 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.830 4.015 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.131 3.461 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.702 2.972 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.595 3.981 -6.208 1.00 0.00 H new ATOM 321 N ARG A 102 -6.276 8.216 -6.749 1.00 0.00 N ATOM 322 CA ARG A 102 -5.371 9.255 -7.210 1.00 0.00 C ATOM 323 C ARG A 102 -5.706 10.606 -6.576 1.00 0.00 C ATOM 324 O ARG A 102 -4.817 11.412 -6.323 1.00 0.00 O ATOM 325 CB ARG A 102 -5.425 9.367 -8.727 1.00 0.00 C ATOM 326 CG ARG A 102 -6.836 9.481 -9.269 1.00 0.00 C ATOM 327 CD ARG A 102 -6.837 9.791 -10.755 1.00 0.00 C ATOM 328 NE ARG A 102 -6.104 8.779 -11.517 1.00 0.00 N ATOM 329 CZ ARG A 102 -6.394 8.423 -12.769 1.00 0.00 C ATOM 330 NH1 ARG A 102 -7.409 8.986 -13.411 1.00 0.00 N ATOM 331 NH2 ARG A 102 -5.670 7.494 -13.375 1.00 0.00 N ATOM 0 H ARG A 102 -6.790 7.739 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.362 8.977 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.851 10.239 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.944 8.493 -9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.372 8.549 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.371 10.264 -8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.864 9.845 -11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.388 10.770 -10.923 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.319 8.315 -11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.974 9.697 -12.947 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -7.624 8.708 -14.369 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.893 7.053 -12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.890 7.220 -14.333 1.00 0.00 H new ATOM 345 N SER A 103 -6.989 10.831 -6.303 1.00 0.00 N ATOM 346 CA SER A 103 -7.444 12.082 -5.713 1.00 0.00 C ATOM 347 C SER A 103 -6.856 12.304 -4.322 1.00 0.00 C ATOM 348 O SER A 103 -6.487 13.425 -3.975 1.00 0.00 O ATOM 349 CB SER A 103 -8.972 12.114 -5.644 1.00 0.00 C ATOM 350 OG SER A 103 -9.539 12.042 -6.941 1.00 0.00 O ATOM 0 H SER A 103 -7.734 10.158 -6.483 1.00 0.00 H new ATOM 0 HA SER A 103 -7.093 12.890 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.330 11.281 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.299 13.029 -5.150 1.00 0.00 H new ATOM 0 HG SER A 103 -9.981 11.175 -7.057 1.00 0.00 H new ATOM 356 N LEU A 104 -6.769 11.253 -3.513 1.00 0.00 N ATOM 357 CA LEU A 104 -6.234 11.425 -2.166 1.00 0.00 C ATOM 358 C LEU A 104 -4.713 11.263 -2.124 1.00 0.00 C ATOM 359 O LEU A 104 -4.071 11.692 -1.168 1.00 0.00 O ATOM 360 CB LEU A 104 -6.966 10.570 -1.121 1.00 0.00 C ATOM 361 CG LEU A 104 -7.520 9.248 -1.606 1.00 0.00 C ATOM 362 CD1 LEU A 104 -6.390 8.284 -1.785 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.548 8.710 -0.627 1.00 0.00 C ATOM 0 H LEU A 104 -7.051 10.303 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.434 12.458 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.279 10.372 -0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.789 11.157 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.023 9.390 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.779 7.328 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.687 8.679 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.879 8.141 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.935 7.759 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.081 8.562 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.367 9.423 -0.531 1.00 0.00 H new ATOM 375 N LEU A 105 -4.133 10.690 -3.175 1.00 0.00 N ATOM 376 CA LEU A 105 -2.678 10.657 -3.328 1.00 0.00 C ATOM 377 C LEU A 105 -2.135 12.056 -3.591 1.00 0.00 C ATOM 378 O LEU A 105 -0.927 12.292 -3.538 1.00 0.00 O ATOM 379 CB LEU A 105 -2.275 9.734 -4.476 1.00 0.00 C ATOM 380 CG LEU A 105 -1.960 8.298 -4.074 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.175 7.608 -3.489 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.423 7.521 -5.263 1.00 0.00 C ATOM 0 H LEU A 105 -4.646 10.242 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.254 10.276 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.081 9.720 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.400 10.156 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.193 8.327 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.915 6.586 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.510 8.149 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.976 7.592 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.203 6.498 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.169 7.511 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.511 7.996 -5.626 1.00 0.00 H new ATOM 394 N LEU A 106 -3.042 12.974 -3.880 1.00 0.00 N ATOM 395 CA LEU A 106 -2.687 14.357 -4.148 1.00 0.00 C ATOM 396 C LEU A 106 -2.283 15.078 -2.863 1.00 0.00 C ATOM 397 O LEU A 106 -1.714 16.172 -2.902 1.00 0.00 O ATOM 398 CB LEU A 106 -3.863 15.060 -4.817 1.00 0.00 C ATOM 399 CG LEU A 106 -4.329 14.419 -6.126 1.00 0.00 C ATOM 400 CD1 LEU A 106 -5.479 15.203 -6.724 1.00 0.00 C ATOM 401 CD2 LEU A 106 -3.183 14.315 -7.119 1.00 0.00 C ATOM 0 H LEU A 106 -4.042 12.782 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.828 14.379 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.701 15.081 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.586 16.096 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.677 13.411 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.796 14.731 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.313 15.218 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.157 16.224 -6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.541 13.856 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.798 15.311 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.388 13.703 -6.694 1.00 0.00 H new ATOM 413 N ASN A 107 -2.577 14.457 -1.721 1.00 0.00 N ATOM 414 CA ASN A 107 -2.176 15.004 -0.429 1.00 0.00 C ATOM 415 C ASN A 107 -0.679 14.808 -0.226 1.00 0.00 C ATOM 416 O ASN A 107 -0.177 13.682 -0.283 1.00 0.00 O ATOM 417 CB ASN A 107 -2.932 14.335 0.726 1.00 0.00 C ATOM 418 CG ASN A 107 -4.414 14.651 0.745 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.837 15.681 1.270 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.214 13.747 0.214 1.00 0.00 N ATOM 0 H ASN A 107 -3.090 13.577 -1.666 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.419 16.067 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.800 13.255 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.489 14.652 1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.224 13.888 0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.823 12.907 -0.212 1.00 0.00 H new ATOM 427 N PRO A 108 0.051 15.909 0.021 1.00 0.00 N ATOM 428 CA PRO A 108 1.513 15.887 0.165 1.00 0.00 C ATOM 429 C PRO A 108 1.979 15.005 1.318 1.00 0.00 C ATOM 430 O PRO A 108 3.064 14.428 1.266 1.00 0.00 O ATOM 431 CB PRO A 108 1.879 17.352 0.432 1.00 0.00 C ATOM 432 CG PRO A 108 0.615 17.994 0.887 1.00 0.00 C ATOM 433 CD PRO A 108 -0.490 17.271 0.175 1.00 0.00 C ATOM 0 HA PRO A 108 1.993 15.470 -0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.657 17.431 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.263 17.832 -0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.502 17.913 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.607 19.057 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.414 17.275 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.715 17.727 -0.789 1.00 0.00 H new ATOM 441 N HIS A 109 1.159 14.899 2.353 1.00 0.00 N ATOM 442 CA HIS A 109 1.490 14.059 3.493 1.00 0.00 C ATOM 443 C HIS A 109 1.216 12.592 3.178 1.00 0.00 C ATOM 444 O HIS A 109 2.009 11.720 3.525 1.00 0.00 O ATOM 445 CB HIS A 109 0.704 14.499 4.732 1.00 0.00 C ATOM 446 CG HIS A 109 0.885 13.601 5.918 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.842 13.845 6.874 1.00 0.00 N ATOM 448 CD2 HIS A 109 0.207 12.481 6.247 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.718 12.871 7.761 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.740 12.025 7.421 1.00 0.00 N ATOM 0 H HIS A 109 0.264 15.382 2.427 1.00 0.00 H new ATOM 0 HA HIS A 109 2.554 14.171 3.703 1.00 0.00 H new ATOM 0 HB2 HIS A 109 1.010 15.509 5.004 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.356 14.543 4.481 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.601 12.031 5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.329 12.772 8.646 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.447 11.197 7.939 1.00 0.00 H new ATOM 458 N LEU A 110 0.099 12.321 2.507 1.00 0.00 N ATOM 459 CA LEU A 110 -0.281 10.954 2.186 1.00 0.00 C ATOM 460 C LEU A 110 0.761 10.330 1.263 1.00 0.00 C ATOM 461 O LEU A 110 1.170 9.182 1.452 1.00 0.00 O ATOM 462 CB LEU A 110 -1.671 10.941 1.534 1.00 0.00 C ATOM 463 CG LEU A 110 -2.427 9.608 1.592 1.00 0.00 C ATOM 464 CD1 LEU A 110 -3.879 9.813 1.200 1.00 0.00 C ATOM 465 CD2 LEU A 110 -1.787 8.571 0.683 1.00 0.00 C ATOM 0 H LEU A 110 -0.555 13.030 2.177 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.325 10.363 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.283 11.705 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.563 11.230 0.489 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.378 9.239 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.406 8.860 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.345 10.518 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.930 10.208 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.346 7.637 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.799 8.932 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.757 8.399 0.996 1.00 0.00 H new ATOM 477 N ARG A 111 1.211 11.103 0.284 1.00 0.00 N ATOM 478 CA ARG A 111 2.217 10.622 -0.656 1.00 0.00 C ATOM 479 C ARG A 111 3.555 10.428 0.058 1.00 0.00 C ATOM 480 O ARG A 111 4.368 9.594 -0.342 1.00 0.00 O ATOM 481 CB ARG A 111 2.364 11.578 -1.845 1.00 0.00 C ATOM 482 CG ARG A 111 2.982 12.919 -1.505 1.00 0.00 C ATOM 483 CD ARG A 111 3.016 13.828 -2.720 1.00 0.00 C ATOM 484 NE ARG A 111 3.677 15.100 -2.441 1.00 0.00 N ATOM 485 CZ ARG A 111 3.431 16.226 -3.110 1.00 0.00 C ATOM 486 NH1 ARG A 111 2.531 16.242 -4.088 1.00 0.00 N ATOM 487 NH2 ARG A 111 4.082 17.338 -2.796 1.00 0.00 N ATOM 0 H ARG A 111 0.899 12.060 0.120 1.00 0.00 H new ATOM 0 HA ARG A 111 1.889 9.659 -1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.974 11.095 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.380 11.747 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.411 13.394 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.994 12.772 -1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.534 13.323 -3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.997 14.017 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 111 4.367 15.128 -1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.025 15.390 -4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.346 17.106 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.770 17.331 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.895 18.200 -3.307 1.00 0.00 H new ATOM 501 N GLN A 112 3.766 11.193 1.127 1.00 0.00 N ATOM 502 CA GLN A 112 4.933 11.014 1.979 1.00 0.00 C ATOM 503 C GLN A 112 4.809 9.723 2.775 1.00 0.00 C ATOM 504 O GLN A 112 5.772 8.969 2.904 1.00 0.00 O ATOM 505 CB GLN A 112 5.099 12.200 2.928 1.00 0.00 C ATOM 506 CG GLN A 112 6.153 13.200 2.484 1.00 0.00 C ATOM 507 CD GLN A 112 7.545 12.598 2.479 1.00 0.00 C ATOM 508 OE1 GLN A 112 8.253 12.635 3.487 1.00 0.00 O ATOM 509 NE2 GLN A 112 7.951 12.044 1.349 1.00 0.00 N ATOM 0 H GLN A 112 3.141 11.943 1.422 1.00 0.00 H new ATOM 0 HA GLN A 112 5.816 10.956 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.142 12.713 3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.360 11.827 3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.911 13.561 1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 112 6.135 14.064 3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.335 12.033 0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.880 11.627 1.290 1.00 0.00 H new ATOM 518 N LEU A 113 3.617 9.474 3.304 1.00 0.00 N ATOM 519 CA LEU A 113 3.344 8.238 4.025 1.00 0.00 C ATOM 520 C LEU A 113 3.651 7.035 3.146 1.00 0.00 C ATOM 521 O LEU A 113 4.398 6.139 3.542 1.00 0.00 O ATOM 522 CB LEU A 113 1.882 8.183 4.476 1.00 0.00 C ATOM 523 CG LEU A 113 1.475 9.221 5.523 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.004 9.075 5.865 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.320 9.082 6.779 1.00 0.00 C ATOM 0 H LEU A 113 2.824 10.113 3.247 1.00 0.00 H new ATOM 0 HA LEU A 113 3.985 8.213 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.245 8.307 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.681 7.190 4.878 1.00 0.00 H new ATOM 0 HG LEU A 113 1.644 10.213 5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.272 9.820 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.595 9.223 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.180 8.077 6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.012 9.831 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.184 8.086 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.371 9.229 6.529 1.00 0.00 H new ATOM 537 N MET A 114 3.087 7.041 1.944 1.00 0.00 N ATOM 538 CA MET A 114 3.277 5.952 0.997 1.00 0.00 C ATOM 539 C MET A 114 4.757 5.671 0.744 1.00 0.00 C ATOM 540 O MET A 114 5.211 4.540 0.918 1.00 0.00 O ATOM 541 CB MET A 114 2.567 6.267 -0.320 1.00 0.00 C ATOM 542 CG MET A 114 1.093 5.888 -0.330 1.00 0.00 C ATOM 543 SD MET A 114 0.239 6.511 -1.790 1.00 0.00 S ATOM 544 CE MET A 114 1.189 5.737 -3.094 1.00 0.00 C ATOM 0 H MET A 114 2.490 7.794 1.602 1.00 0.00 H new ATOM 0 HA MET A 114 2.841 5.054 1.436 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.660 7.333 -0.526 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.073 5.741 -1.130 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.998 4.803 -0.291 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.612 6.282 0.566 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.655 5.833 -4.039 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.160 6.225 -3.175 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.331 4.681 -2.863 1.00 0.00 H new ATOM 554 N VAL A 115 5.514 6.694 0.359 1.00 0.00 N ATOM 555 CA VAL A 115 6.923 6.495 0.029 1.00 0.00 C ATOM 556 C VAL A 115 7.729 6.080 1.259 1.00 0.00 C ATOM 557 O VAL A 115 8.659 5.287 1.151 1.00 0.00 O ATOM 558 CB VAL A 115 7.560 7.741 -0.631 1.00 0.00 C ATOM 559 CG1 VAL A 115 6.847 8.080 -1.931 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.551 8.933 0.310 1.00 0.00 C ATOM 0 H VAL A 115 5.183 7.655 0.268 1.00 0.00 H new ATOM 0 HA VAL A 115 6.954 5.686 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 115 8.600 7.504 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.309 8.959 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.924 7.238 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.796 8.287 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.006 9.791 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.523 9.174 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.117 8.691 1.209 1.00 0.00 H new ATOM 570 N ASN A 116 7.361 6.599 2.426 1.00 0.00 N ATOM 571 CA ASN A 116 8.020 6.224 3.674 1.00 0.00 C ATOM 572 C ASN A 116 7.821 4.741 3.961 1.00 0.00 C ATOM 573 O ASN A 116 8.767 4.025 4.297 1.00 0.00 O ATOM 574 CB ASN A 116 7.481 7.054 4.839 1.00 0.00 C ATOM 575 CG ASN A 116 8.176 8.393 4.977 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.349 8.540 4.630 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.459 9.377 5.491 1.00 0.00 N ATOM 0 H ASN A 116 6.610 7.281 2.534 1.00 0.00 H new ATOM 0 HA ASN A 116 9.086 6.422 3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.412 7.217 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.599 6.491 5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.874 10.301 5.613 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.490 9.213 5.765 1.00 0.00 H new ATOM 584 N LEU A 117 6.581 4.287 3.811 1.00 0.00 N ATOM 585 CA LEU A 117 6.236 2.887 4.031 1.00 0.00 C ATOM 586 C LEU A 117 6.938 1.995 3.014 1.00 0.00 C ATOM 587 O LEU A 117 7.365 0.884 3.335 1.00 0.00 O ATOM 588 CB LEU A 117 4.719 2.699 3.942 1.00 0.00 C ATOM 589 CG LEU A 117 4.212 1.275 4.175 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.553 0.803 5.582 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.712 1.205 3.936 1.00 0.00 C ATOM 0 H LEU A 117 5.793 4.873 3.536 1.00 0.00 H new ATOM 0 HA LEU A 117 6.570 2.600 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.247 3.357 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.388 3.026 2.956 1.00 0.00 H new ATOM 0 HG LEU A 117 4.709 0.612 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.183 -0.212 5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.634 0.817 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.086 1.465 6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.364 0.186 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.202 1.881 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.493 1.497 2.909 1.00 0.00 H new ATOM 603 N ASP A 118 7.063 2.496 1.792 1.00 0.00 N ATOM 604 CA ASP A 118 7.758 1.777 0.730 1.00 0.00 C ATOM 605 C ASP A 118 9.231 1.586 1.079 1.00 0.00 C ATOM 606 O ASP A 118 9.818 0.542 0.785 1.00 0.00 O ATOM 607 CB ASP A 118 7.626 2.529 -0.595 1.00 0.00 C ATOM 608 CG ASP A 118 8.393 1.865 -1.722 1.00 0.00 C ATOM 609 OD1 ASP A 118 7.928 0.828 -2.234 1.00 0.00 O ATOM 610 OD2 ASP A 118 9.463 2.384 -2.105 1.00 0.00 O ATOM 0 H ASP A 118 6.690 3.403 1.510 1.00 0.00 H new ATOM 0 HA ASP A 118 7.298 0.794 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.573 2.595 -0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.987 3.549 -0.467 1.00 0.00 H new ATOM 615 N GLN A 119 9.818 2.592 1.724 1.00 0.00 N ATOM 616 CA GLN A 119 11.217 2.523 2.136 1.00 0.00 C ATOM 617 C GLN A 119 11.398 1.490 3.229 1.00 0.00 C ATOM 618 O GLN A 119 12.427 0.824 3.329 1.00 0.00 O ATOM 619 CB GLN A 119 11.682 3.878 2.659 1.00 0.00 C ATOM 620 CG GLN A 119 11.569 4.984 1.640 1.00 0.00 C ATOM 621 CD GLN A 119 11.917 6.341 2.213 1.00 0.00 C ATOM 622 OE1 GLN A 119 12.725 6.453 3.137 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.305 7.381 1.673 1.00 0.00 N ATOM 0 H GLN A 119 9.347 3.462 1.972 1.00 0.00 H new ATOM 0 HA GLN A 119 11.810 2.241 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.093 4.142 3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.719 3.797 2.983 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.229 4.768 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.552 5.009 1.248 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.643 7.243 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.495 8.321 2.020 1.00 0.00 H new ATOM 632 N GLY A 120 10.355 1.363 4.031 1.00 0.00 N ATOM 633 CA GLY A 120 10.311 0.351 5.065 1.00 0.00 C ATOM 634 C GLY A 120 11.336 0.570 6.157 1.00 0.00 C ATOM 635 O GLY A 120 11.753 -0.390 6.808 1.00 0.00 O ATOM 0 H GLY A 120 9.524 1.953 3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.315 0.336 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.474 -0.628 4.614 1.00 0.00 H new ATOM 639 N GLU A 121 11.727 1.831 6.370 1.00 0.00 N ATOM 640 CA GLU A 121 12.720 2.177 7.390 1.00 0.00 C ATOM 641 C GLU A 121 12.303 1.640 8.757 1.00 0.00 C ATOM 642 O GLU A 121 13.140 1.282 9.582 1.00 0.00 O ATOM 643 CB GLU A 121 12.955 3.699 7.423 1.00 0.00 C ATOM 644 CG GLU A 121 11.688 4.552 7.479 1.00 0.00 C ATOM 645 CD GLU A 121 11.139 4.724 8.882 1.00 0.00 C ATOM 646 OE1 GLU A 121 10.031 4.228 9.162 1.00 0.00 O ATOM 647 OE2 GLU A 121 11.818 5.357 9.718 1.00 0.00 O ATOM 0 H GLU A 121 11.369 2.630 5.847 1.00 0.00 H new ATOM 0 HA GLU A 121 13.666 1.703 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 121 13.572 3.936 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 121 13.525 3.982 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.901 5.534 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.923 4.095 6.851 1.00 0.00 H new ATOM 654 N ASP A 122 11.002 1.596 8.976 1.00 0.00 N ATOM 655 CA ASP A 122 10.419 0.905 10.113 1.00 0.00 C ATOM 656 C ASP A 122 8.960 0.642 9.802 1.00 0.00 C ATOM 657 O ASP A 122 8.061 1.254 10.379 1.00 0.00 O ATOM 658 CB ASP A 122 10.554 1.720 11.401 1.00 0.00 C ATOM 659 CG ASP A 122 10.301 0.887 12.648 1.00 0.00 C ATOM 660 OD1 ASP A 122 9.315 0.124 12.680 1.00 0.00 O ATOM 661 OD2 ASP A 122 11.091 1.000 13.611 1.00 0.00 O ATOM 0 H ASP A 122 10.315 2.041 8.367 1.00 0.00 H new ATOM 0 HA ASP A 122 10.951 -0.032 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 122 11.555 2.149 11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.851 2.552 11.376 1.00 0.00 H new ATOM 666 N LYS A 123 8.742 -0.256 8.847 1.00 0.00 N ATOM 667 CA LYS A 123 7.401 -0.629 8.418 1.00 0.00 C ATOM 668 C LYS A 123 6.562 -1.102 9.598 1.00 0.00 C ATOM 669 O LYS A 123 5.341 -0.978 9.585 1.00 0.00 O ATOM 670 CB LYS A 123 7.449 -1.719 7.335 1.00 0.00 C ATOM 671 CG LYS A 123 8.218 -2.971 7.740 1.00 0.00 C ATOM 672 CD LYS A 123 9.707 -2.842 7.452 1.00 0.00 C ATOM 673 CE LYS A 123 10.548 -3.243 8.653 1.00 0.00 C ATOM 674 NZ LYS A 123 12.004 -3.168 8.358 1.00 0.00 N ATOM 0 H LYS A 123 9.488 -0.744 8.351 1.00 0.00 H new ATOM 0 HA LYS A 123 6.934 0.260 7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.429 -2.001 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.904 -1.302 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.069 -3.160 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.818 -3.832 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 123 9.968 -3.468 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.936 -1.813 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 123 10.314 -2.591 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 123 10.290 -4.258 8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.539 -3.163 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 12.286 -3.992 7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 12.206 -2.296 7.828 1.00 0.00 H new ATOM 688 N ALA A 124 7.227 -1.623 10.623 1.00 0.00 N ATOM 689 CA ALA A 124 6.539 -2.104 11.807 1.00 0.00 C ATOM 690 C ALA A 124 5.827 -0.957 12.517 1.00 0.00 C ATOM 691 O ALA A 124 4.640 -1.045 12.834 1.00 0.00 O ATOM 692 CB ALA A 124 7.519 -2.789 12.743 1.00 0.00 C ATOM 0 H ALA A 124 8.242 -1.721 10.654 1.00 0.00 H new ATOM 0 HA ALA A 124 5.788 -2.832 11.501 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.990 -3.145 13.627 1.00 0.00 H new ATOM 0 HB2 ALA A 124 7.981 -3.634 12.232 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.291 -2.081 13.043 1.00 0.00 H new ATOM 698 N LYS A 125 6.559 0.127 12.739 1.00 0.00 N ATOM 699 CA LYS A 125 6.007 1.314 13.375 1.00 0.00 C ATOM 700 C LYS A 125 5.079 2.051 12.418 1.00 0.00 C ATOM 701 O LYS A 125 4.034 2.565 12.822 1.00 0.00 O ATOM 702 CB LYS A 125 7.149 2.227 13.855 1.00 0.00 C ATOM 703 CG LYS A 125 6.782 3.703 13.981 1.00 0.00 C ATOM 704 CD LYS A 125 7.287 4.507 12.786 1.00 0.00 C ATOM 705 CE LYS A 125 8.805 4.611 12.789 1.00 0.00 C ATOM 706 NZ LYS A 125 9.337 5.257 11.556 1.00 0.00 N ATOM 0 H LYS A 125 7.544 0.208 12.485 1.00 0.00 H new ATOM 0 HA LYS A 125 5.418 1.013 14.241 1.00 0.00 H new ATOM 0 HB2 LYS A 125 7.497 1.870 14.824 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.985 2.133 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.700 3.805 14.059 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.207 4.108 14.899 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.955 4.035 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.852 5.506 12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 125 9.125 5.182 13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 125 9.234 3.614 12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.231 5.742 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 9.506 4.532 10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.646 5.949 11.201 1.00 0.00 H new ATOM 720 N LEU A 126 5.455 2.083 11.145 1.00 0.00 N ATOM 721 CA LEU A 126 4.680 2.793 10.138 1.00 0.00 C ATOM 722 C LEU A 126 3.278 2.207 10.008 1.00 0.00 C ATOM 723 O LEU A 126 2.302 2.941 10.010 1.00 0.00 O ATOM 724 CB LEU A 126 5.399 2.771 8.788 1.00 0.00 C ATOM 725 CG LEU A 126 6.762 3.468 8.764 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.442 3.262 7.423 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.627 4.954 9.061 1.00 0.00 C ATOM 0 H LEU A 126 6.293 1.625 10.787 1.00 0.00 H new ATOM 0 HA LEU A 126 4.583 3.830 10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.534 1.733 8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.756 3.241 8.044 1.00 0.00 H new ATOM 0 HG LEU A 126 7.378 3.021 9.544 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.409 3.764 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.587 2.196 7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.819 3.678 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.612 5.421 9.037 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.987 5.418 8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.186 5.089 10.048 1.00 0.00 H new ATOM 739 N MET A 127 3.174 0.885 9.929 1.00 0.00 N ATOM 740 CA MET A 127 1.867 0.232 9.810 1.00 0.00 C ATOM 741 C MET A 127 0.935 0.654 10.941 1.00 0.00 C ATOM 742 O MET A 127 -0.274 0.777 10.753 1.00 0.00 O ATOM 743 CB MET A 127 2.018 -1.291 9.820 1.00 0.00 C ATOM 744 CG MET A 127 2.623 -1.877 8.551 1.00 0.00 C ATOM 745 SD MET A 127 1.388 -2.373 7.326 1.00 0.00 S ATOM 746 CE MET A 127 0.669 -0.798 6.862 1.00 0.00 C ATOM 0 H MET A 127 3.969 0.246 9.945 1.00 0.00 H new ATOM 0 HA MET A 127 1.433 0.545 8.860 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.640 -1.576 10.668 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.037 -1.739 9.980 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.292 -1.142 8.104 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.231 -2.743 8.814 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.111 -0.912 5.933 1.00 0.00 H new ATOM 0 HE2 MET A 127 -0.004 -0.459 7.650 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.462 -0.064 6.721 1.00 0.00 H new ATOM 756 N ARG A 128 1.511 0.887 12.110 1.00 0.00 N ATOM 757 CA ARG A 128 0.746 1.301 13.276 1.00 0.00 C ATOM 758 C ARG A 128 0.426 2.790 13.202 1.00 0.00 C ATOM 759 O ARG A 128 -0.724 3.200 13.368 1.00 0.00 O ATOM 760 CB ARG A 128 1.540 1.003 14.548 1.00 0.00 C ATOM 761 CG ARG A 128 2.029 -0.433 14.634 1.00 0.00 C ATOM 762 CD ARG A 128 2.955 -0.643 15.820 1.00 0.00 C ATOM 763 NE ARG A 128 2.277 -0.404 17.092 1.00 0.00 N ATOM 764 CZ ARG A 128 2.907 -0.201 18.246 1.00 0.00 C ATOM 765 NH1 ARG A 128 4.233 -0.209 18.295 1.00 0.00 N ATOM 766 NH2 ARG A 128 2.205 0.006 19.352 1.00 0.00 N ATOM 0 H ARG A 128 2.513 0.796 12.277 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.191 0.744 13.296 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.397 1.674 14.597 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.916 1.219 15.415 1.00 0.00 H new ATOM 0 HG2 ARG A 128 1.174 -1.104 14.717 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.551 -0.695 13.714 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.343 -1.662 15.801 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.811 0.026 15.734 1.00 0.00 H new ATOM 0 HE ARG A 128 1.257 -0.392 17.095 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.774 -0.371 17.446 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.712 -0.053 19.182 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.186 0.009 19.316 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.684 0.162 20.239 1.00 0.00 H new ATOM 780 N ALA A 129 1.449 3.587 12.928 1.00 0.00 N ATOM 781 CA ALA A 129 1.323 5.038 12.905 1.00 0.00 C ATOM 782 C ALA A 129 0.425 5.517 11.769 1.00 0.00 C ATOM 783 O ALA A 129 -0.192 6.572 11.866 1.00 0.00 O ATOM 784 CB ALA A 129 2.697 5.679 12.792 1.00 0.00 C ATOM 0 H ALA A 129 2.387 3.248 12.716 1.00 0.00 H new ATOM 0 HA ALA A 129 0.855 5.342 13.841 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.592 6.764 12.776 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.306 5.386 13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.179 5.347 11.872 1.00 0.00 H new ATOM 790 N TYR A 130 0.346 4.742 10.701 1.00 0.00 N ATOM 791 CA TYR A 130 -0.430 5.141 9.532 1.00 0.00 C ATOM 792 C TYR A 130 -1.919 4.896 9.742 1.00 0.00 C ATOM 793 O TYR A 130 -2.759 5.586 9.168 1.00 0.00 O ATOM 794 CB TYR A 130 0.041 4.383 8.292 1.00 0.00 C ATOM 795 CG TYR A 130 1.389 4.819 7.757 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.354 5.383 8.582 1.00 0.00 C ATOM 797 CD2 TYR A 130 1.700 4.645 6.421 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.580 5.758 8.090 1.00 0.00 C ATOM 799 CE2 TYR A 130 2.924 5.020 5.921 1.00 0.00 C ATOM 800 CZ TYR A 130 3.859 5.576 6.759 1.00 0.00 C ATOM 801 OH TYR A 130 5.082 5.946 6.262 1.00 0.00 O ATOM 0 H TYR A 130 0.806 3.836 10.616 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.273 6.210 9.386 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.086 3.320 8.528 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.703 4.504 7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.136 5.529 9.630 1.00 0.00 H new ATOM 0 HD2 TYR A 130 0.968 4.207 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 130 4.319 6.193 8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.149 4.878 4.874 1.00 0.00 H new ATOM 0 HH TYR A 130 5.051 5.946 5.283 1.00 0.00 H new ATOM 811 N MET A 131 -2.247 3.922 10.577 1.00 0.00 N ATOM 812 CA MET A 131 -3.639 3.541 10.782 1.00 0.00 C ATOM 813 C MET A 131 -4.303 4.399 11.852 1.00 0.00 C ATOM 814 O MET A 131 -5.468 4.190 12.196 1.00 0.00 O ATOM 815 CB MET A 131 -3.740 2.059 11.153 1.00 0.00 C ATOM 816 CG MET A 131 -3.421 1.104 10.010 1.00 0.00 C ATOM 817 SD MET A 131 -4.835 0.753 8.933 1.00 0.00 S ATOM 818 CE MET A 131 -5.066 2.308 8.065 1.00 0.00 C ATOM 0 H MET A 131 -1.574 3.383 11.122 1.00 0.00 H new ATOM 0 HA MET A 131 -4.168 3.708 9.844 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.060 1.856 11.981 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.749 1.854 11.511 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.615 1.527 9.410 1.00 0.00 H new ATOM 0 HG3 MET A 131 -3.051 0.166 10.425 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.607 2.129 7.136 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.637 2.993 8.692 1.00 0.00 H new ATOM 0 HE3 MET A 131 -4.094 2.747 7.840 1.00 0.00 H new ATOM 828 N GLN A 132 -3.567 5.373 12.365 1.00 0.00 N ATOM 829 CA GLN A 132 -4.105 6.262 13.386 1.00 0.00 C ATOM 830 C GLN A 132 -4.526 7.580 12.757 1.00 0.00 C ATOM 831 O GLN A 132 -5.317 8.330 13.326 1.00 0.00 O ATOM 832 CB GLN A 132 -3.070 6.530 14.478 1.00 0.00 C ATOM 833 CG GLN A 132 -1.965 7.463 14.024 1.00 0.00 C ATOM 834 CD GLN A 132 -0.923 7.719 15.083 1.00 0.00 C ATOM 835 OE1 GLN A 132 -1.209 7.706 16.280 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.294 7.969 14.639 1.00 0.00 N ATOM 0 H GLN A 132 -2.603 5.568 12.095 1.00 0.00 H new ATOM 0 HA GLN A 132 -4.971 5.776 13.836 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.568 6.960 15.347 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.632 5.584 14.797 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.481 7.039 13.144 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.404 8.413 13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.481 7.968 13.636 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.048 8.163 15.298 1.00 0.00 H new ATOM 845 N GLU A 133 -3.992 7.855 11.575 1.00 0.00 N ATOM 846 CA GLU A 133 -4.231 9.121 10.914 1.00 0.00 C ATOM 847 C GLU A 133 -5.206 8.974 9.750 1.00 0.00 C ATOM 848 O GLU A 133 -5.122 8.033 8.956 1.00 0.00 O ATOM 849 CB GLU A 133 -2.910 9.733 10.452 1.00 0.00 C ATOM 850 CG GLU A 133 -1.848 8.712 10.086 1.00 0.00 C ATOM 851 CD GLU A 133 -0.574 9.367 9.602 1.00 0.00 C ATOM 852 OE1 GLU A 133 0.508 8.785 9.801 1.00 0.00 O ATOM 853 OE2 GLU A 133 -0.647 10.488 9.058 1.00 0.00 O ATOM 0 H GLU A 133 -3.390 7.214 11.057 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.693 9.795 11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -3.100 10.370 9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.523 10.376 11.243 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.629 8.090 10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -2.233 8.051 9.310 1.00 0.00 H new ATOM 860 N PRO A 134 -6.137 9.932 9.639 1.00 0.00 N ATOM 861 CA PRO A 134 -7.248 9.888 8.678 1.00 0.00 C ATOM 862 C PRO A 134 -6.814 10.030 7.221 1.00 0.00 C ATOM 863 O PRO A 134 -7.616 9.825 6.316 1.00 0.00 O ATOM 864 CB PRO A 134 -8.124 11.072 9.090 1.00 0.00 C ATOM 865 CG PRO A 134 -7.187 12.016 9.755 1.00 0.00 C ATOM 866 CD PRO A 134 -6.181 11.158 10.464 1.00 0.00 C ATOM 0 HA PRO A 134 -7.751 8.922 8.711 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.603 11.531 8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.920 10.760 9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.703 12.666 9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.715 12.662 10.457 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -5.206 11.642 10.517 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.486 10.943 11.488 1.00 0.00 H new ATOM 874 N LEU A 135 -5.574 10.410 6.979 1.00 0.00 N ATOM 875 CA LEU A 135 -5.107 10.528 5.608 1.00 0.00 C ATOM 876 C LEU A 135 -4.786 9.160 5.008 1.00 0.00 C ATOM 877 O LEU A 135 -5.085 8.907 3.846 1.00 0.00 O ATOM 878 CB LEU A 135 -3.894 11.455 5.512 1.00 0.00 C ATOM 879 CG LEU A 135 -4.188 12.939 5.766 1.00 0.00 C ATOM 880 CD1 LEU A 135 -2.943 13.781 5.541 1.00 0.00 C ATOM 881 CD2 LEU A 135 -5.320 13.421 4.871 1.00 0.00 C ATOM 0 H LEU A 135 -4.884 10.638 7.695 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.918 10.969 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.144 11.121 6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.455 11.352 4.520 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.496 13.050 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.175 14.830 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -2.156 13.457 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.604 13.661 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.514 14.476 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.038 13.291 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.220 12.842 5.079 1.00 0.00 H new ATOM 893 N PHE A 136 -4.226 8.259 5.804 1.00 0.00 N ATOM 894 CA PHE A 136 -3.767 6.986 5.266 1.00 0.00 C ATOM 895 C PHE A 136 -4.883 5.959 5.301 1.00 0.00 C ATOM 896 O PHE A 136 -4.961 5.083 4.443 1.00 0.00 O ATOM 897 CB PHE A 136 -2.552 6.466 6.030 1.00 0.00 C ATOM 898 CG PHE A 136 -1.865 5.321 5.338 1.00 0.00 C ATOM 899 CD1 PHE A 136 -0.977 5.557 4.302 1.00 0.00 C ATOM 900 CD2 PHE A 136 -2.111 4.011 5.721 1.00 0.00 C ATOM 901 CE1 PHE A 136 -0.345 4.508 3.660 1.00 0.00 C ATOM 902 CE2 PHE A 136 -1.483 2.960 5.082 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.599 3.210 4.051 1.00 0.00 C ATOM 0 H PHE A 136 -4.080 8.382 6.806 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.471 7.152 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.840 7.280 6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.865 6.147 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -0.776 6.572 3.992 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.801 3.811 6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 136 0.346 4.705 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -1.683 1.944 5.388 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.107 2.389 3.551 1.00 0.00 H new ATOM 913 N VAL A 137 -5.744 6.075 6.301 1.00 0.00 N ATOM 914 CA VAL A 137 -6.912 5.212 6.411 1.00 0.00 C ATOM 915 C VAL A 137 -7.750 5.268 5.137 1.00 0.00 C ATOM 916 O VAL A 137 -8.185 4.243 4.627 1.00 0.00 O ATOM 917 CB VAL A 137 -7.787 5.615 7.606 1.00 0.00 C ATOM 918 CG1 VAL A 137 -7.142 5.237 8.928 1.00 0.00 C ATOM 919 CG2 VAL A 137 -8.082 7.079 7.567 1.00 0.00 C ATOM 0 H VAL A 137 -5.656 6.761 7.051 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.550 4.195 6.561 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.724 5.064 7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -7.792 5.539 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -6.990 4.158 8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -6.181 5.742 9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -8.703 7.348 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.148 7.640 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.610 7.319 6.644 1.00 0.00 H new ATOM 929 N GLU A 138 -7.960 6.480 4.640 1.00 0.00 N ATOM 930 CA GLU A 138 -8.677 6.701 3.390 1.00 0.00 C ATOM 931 C GLU A 138 -7.998 5.960 2.251 1.00 0.00 C ATOM 932 O GLU A 138 -8.641 5.224 1.510 1.00 0.00 O ATOM 933 CB GLU A 138 -8.732 8.192 3.060 1.00 0.00 C ATOM 934 CG GLU A 138 -9.444 9.027 4.107 1.00 0.00 C ATOM 935 CD GLU A 138 -10.906 8.671 4.243 1.00 0.00 C ATOM 936 OE1 GLU A 138 -11.710 9.117 3.399 1.00 0.00 O ATOM 937 OE2 GLU A 138 -11.259 7.956 5.198 1.00 0.00 O ATOM 0 H GLU A 138 -7.639 7.337 5.091 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.692 6.323 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -7.715 8.566 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.234 8.324 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -8.951 8.893 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -9.354 10.082 3.847 1.00 0.00 H new ATOM 944 N PHE A 139 -6.687 6.155 2.135 1.00 0.00 N ATOM 945 CA PHE A 139 -5.890 5.484 1.119 1.00 0.00 C ATOM 946 C PHE A 139 -6.077 3.981 1.214 1.00 0.00 C ATOM 947 O PHE A 139 -6.356 3.306 0.219 1.00 0.00 O ATOM 948 CB PHE A 139 -4.413 5.834 1.310 1.00 0.00 C ATOM 949 CG PHE A 139 -3.483 5.045 0.427 1.00 0.00 C ATOM 950 CD1 PHE A 139 -2.634 4.089 0.966 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.467 5.250 -0.939 1.00 0.00 C ATOM 952 CE1 PHE A 139 -1.788 3.356 0.155 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.623 4.520 -1.755 1.00 0.00 C ATOM 954 CZ PHE A 139 -1.782 3.572 -1.208 1.00 0.00 C ATOM 0 H PHE A 139 -6.153 6.779 2.740 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.217 5.818 0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.272 6.897 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.141 5.665 2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -2.634 3.916 2.032 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -4.122 5.990 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -1.132 2.615 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.622 4.692 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.122 3.001 -1.844 1.00 0.00 H new ATOM 964 N ALA A 140 -5.948 3.477 2.428 1.00 0.00 N ATOM 965 CA ALA A 140 -6.048 2.059 2.683 1.00 0.00 C ATOM 966 C ALA A 140 -7.439 1.546 2.365 1.00 0.00 C ATOM 967 O ALA A 140 -7.593 0.578 1.626 1.00 0.00 O ATOM 968 CB ALA A 140 -5.679 1.759 4.128 1.00 0.00 C ATOM 0 H ALA A 140 -5.772 4.040 3.260 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.346 1.541 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.758 0.687 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.656 2.084 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.358 2.290 4.795 1.00 0.00 H new ATOM 974 N ASP A 141 -8.455 2.222 2.879 1.00 0.00 N ATOM 975 CA ASP A 141 -9.826 1.760 2.692 1.00 0.00 C ATOM 976 C ASP A 141 -10.210 1.809 1.221 1.00 0.00 C ATOM 977 O ASP A 141 -10.983 0.980 0.734 1.00 0.00 O ATOM 978 CB ASP A 141 -10.804 2.593 3.517 1.00 0.00 C ATOM 979 CG ASP A 141 -12.239 2.147 3.317 1.00 0.00 C ATOM 980 OD1 ASP A 141 -12.615 1.077 3.846 1.00 0.00 O ATOM 981 OD2 ASP A 141 -12.995 2.856 2.620 1.00 0.00 O ATOM 0 H ASP A 141 -8.362 3.081 3.422 1.00 0.00 H new ATOM 0 HA ASP A 141 -9.880 0.727 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.544 2.517 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.709 3.643 3.241 1.00 0.00 H new ATOM 986 N CYS A 142 -9.630 2.762 0.511 1.00 0.00 N ATOM 987 CA CYS A 142 -9.906 2.936 -0.902 1.00 0.00 C ATOM 988 C CYS A 142 -9.304 1.803 -1.719 1.00 0.00 C ATOM 989 O CYS A 142 -9.986 1.211 -2.557 1.00 0.00 O ATOM 990 CB CYS A 142 -9.376 4.280 -1.388 1.00 0.00 C ATOM 991 SG CYS A 142 -10.345 5.695 -0.818 1.00 0.00 S ATOM 0 H CYS A 142 -8.961 3.430 0.894 1.00 0.00 H new ATOM 0 HA CYS A 142 -10.987 2.916 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.346 4.397 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.357 4.280 -2.478 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.085 5.923 0.435 1.00 0.00 H new ATOM 997 N CYS A 143 -8.037 1.479 -1.465 1.00 0.00 N ATOM 998 CA CYS A 143 -7.368 0.429 -2.217 1.00 0.00 C ATOM 999 C CYS A 143 -7.983 -0.931 -1.900 1.00 0.00 C ATOM 1000 O CYS A 143 -8.052 -1.805 -2.764 1.00 0.00 O ATOM 1001 CB CYS A 143 -5.861 0.432 -1.936 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.407 0.138 -0.213 1.00 0.00 S ATOM 0 H CYS A 143 -7.462 1.926 -0.751 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.509 0.625 -3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.389 -0.331 -2.556 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.451 1.393 -2.246 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.474 0.169 0.528 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.477 -1.084 -0.674 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.124 -2.325 -0.258 1.00 0.00 C ATOM 1010 C LEU A 144 -10.411 -2.549 -1.039 1.00 0.00 C ATOM 1011 O LEU A 144 -10.830 -3.685 -1.251 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.427 -2.302 1.244 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.209 -2.148 2.154 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -8.621 -2.187 3.615 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.179 -3.221 1.858 1.00 0.00 C ATOM 0 H LEU A 144 -8.442 -0.365 0.048 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.438 -3.146 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.117 -1.483 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.943 -3.225 1.508 1.00 0.00 H new ATOM 0 HG LEU A 144 -7.756 -1.177 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -7.738 -2.076 4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.317 -1.373 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.104 -3.140 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.320 -3.093 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.620 -4.204 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -6.856 -3.139 0.820 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.031 -1.461 -1.475 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.252 -1.563 -2.249 1.00 0.00 C ATOM 1029 C GLY A 145 -11.980 -1.812 -3.718 1.00 0.00 C ATOM 1030 O GLY A 145 -12.877 -2.174 -4.473 1.00 0.00 O ATOM 0 H GLY A 145 -10.709 -0.508 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.865 -2.373 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -12.828 -0.644 -2.139 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.739 -1.602 -4.130 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.355 -1.819 -5.516 1.00 0.00 C ATOM 1036 C ILE A 146 -9.841 -3.244 -5.712 1.00 0.00 C ATOM 1037 O ILE A 146 -10.153 -3.904 -6.704 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.270 -0.817 -5.961 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -9.641 0.599 -5.526 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -9.100 -0.870 -7.470 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -8.525 1.602 -5.706 1.00 0.00 C ATOM 0 H ILE A 146 -9.982 -1.282 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.243 -1.666 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.328 -1.091 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.509 0.929 -6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -9.936 0.582 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.332 -0.159 -7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.802 -1.876 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -10.044 -0.613 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -8.862 2.585 -5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -7.662 1.297 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.244 1.649 -6.758 1.00 0.00 H new ATOM 1053 N VAL A 147 -9.061 -3.720 -4.748 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.453 -5.046 -4.834 1.00 0.00 C ATOM 1055 C VAL A 147 -9.300 -6.092 -4.125 1.00 0.00 C ATOM 1056 O VAL A 147 -8.875 -7.239 -3.978 1.00 0.00 O ATOM 1057 CB VAL A 147 -7.042 -5.064 -4.208 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -6.164 -3.989 -4.821 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -7.119 -4.898 -2.697 1.00 0.00 C ATOM 0 H VAL A 147 -8.833 -3.208 -3.896 1.00 0.00 H new ATOM 0 HA VAL A 147 -8.386 -5.284 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.591 -6.033 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -5.175 -4.022 -4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -6.073 -4.161 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.612 -3.011 -4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -6.113 -4.914 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.596 -3.947 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.703 -5.714 -2.271 1.00 0.00 H new ATOM 1069 N GLU A 148 -10.493 -5.689 -3.692 1.00 0.00 N ATOM 1070 CA GLU A 148 -11.350 -6.544 -2.878 1.00 0.00 C ATOM 1071 C GLU A 148 -11.598 -7.901 -3.534 1.00 0.00 C ATOM 1072 O GLU A 148 -12.012 -7.988 -4.693 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.687 -5.855 -2.571 1.00 0.00 C ATOM 1074 CG GLU A 148 -13.510 -5.490 -3.797 1.00 0.00 C ATOM 1075 CD GLU A 148 -14.915 -5.050 -3.432 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -15.801 -5.923 -3.311 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -15.141 -3.836 -3.251 1.00 0.00 O ATOM 0 H GLU A 148 -10.888 -4.771 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.820 -6.718 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -13.280 -6.511 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.490 -4.948 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -13.011 -4.690 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -13.562 -6.348 -4.467 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.412 -7.105 10.456 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.799 -5.950 9.814 1.00 0.00 C ATOM 1199 C ILE B 463 -5.355 -6.249 9.418 1.00 0.00 C ATOM 1200 O ILE B 463 -4.785 -5.577 8.558 1.00 0.00 O ATOM 1201 CB ILE B 463 -6.840 -4.711 10.732 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -8.249 -4.504 11.296 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -6.392 -3.470 9.972 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -9.306 -4.255 10.240 1.00 0.00 C ATOM 0 HA ILE B 463 -7.376 -5.735 8.915 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.155 -4.879 11.563 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -8.530 -5.383 11.876 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -8.233 -3.660 11.985 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -6.427 -2.605 10.635 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -5.372 -3.611 9.613 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -7.055 -3.304 9.123 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -10.275 -4.119 10.720 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -9.052 -3.358 9.675 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -9.353 -5.109 9.564 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.768 -7.264 10.041 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.394 -7.664 9.739 1.00 0.00 C ATOM 1218 C ARG B 464 -3.244 -8.013 8.258 1.00 0.00 C ATOM 1219 O ARG B 464 -2.211 -7.736 7.643 1.00 0.00 O ATOM 1220 CB ARG B 464 -2.977 -8.846 10.618 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.881 -10.051 10.471 1.00 0.00 C ATOM 1222 CD ARG B 464 -3.586 -11.114 11.509 1.00 0.00 C ATOM 1223 NE ARG B 464 -4.513 -12.237 11.399 1.00 0.00 N ATOM 1224 CZ ARG B 464 -5.245 -12.708 12.412 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -5.134 -12.180 13.624 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -6.087 -13.713 12.210 1.00 0.00 N ATOM 0 H ARG B 464 -5.221 -7.828 10.760 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.736 -6.823 9.957 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -1.956 -9.134 10.367 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -2.972 -8.530 11.661 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -4.921 -9.737 10.560 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -3.760 -10.475 9.474 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -2.563 -11.471 11.386 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -3.655 -10.680 12.506 1.00 0.00 H new ATOM 0 HE ARG B 464 -4.608 -12.691 10.490 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -4.486 -11.409 13.787 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -5.696 -12.545 14.393 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -6.175 -14.126 11.281 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -6.646 -14.073 12.983 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.286 -8.605 7.685 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.308 -8.900 6.261 1.00 0.00 C ATOM 1242 C HIS B 465 -4.419 -7.609 5.465 1.00 0.00 C ATOM 1243 O HIS B 465 -3.650 -7.382 4.535 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.469 -9.848 5.931 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.792 -9.947 4.469 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.057 -10.686 3.572 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -6.779 -9.369 3.753 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -5.578 -10.554 2.366 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -6.627 -9.758 2.449 1.00 0.00 N ATOM 0 H HIS B 465 -5.127 -8.890 8.187 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.377 -9.396 5.986 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.227 -10.843 6.305 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.358 -9.514 6.465 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -7.549 -8.718 4.139 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -5.208 -11.019 1.464 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -7.225 -9.479 1.671 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.367 -6.767 5.857 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.617 -5.503 5.173 1.00 0.00 C ATOM 1260 C GLU B 466 -4.348 -4.654 5.114 1.00 0.00 C ATOM 1261 O GLU B 466 -3.950 -4.186 4.053 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.711 -4.722 5.903 1.00 0.00 C ATOM 1263 CG GLU B 466 -7.977 -5.523 6.179 1.00 0.00 C ATOM 1264 CD GLU B 466 -8.748 -5.878 4.925 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -8.421 -6.901 4.290 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.705 -5.151 4.588 1.00 0.00 O ATOM 0 H GLU B 466 -5.981 -6.939 6.653 1.00 0.00 H new ATOM 0 HA GLU B 466 -5.938 -5.727 4.156 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.311 -4.359 6.850 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -6.972 -3.845 5.310 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -7.711 -6.440 6.705 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.623 -4.950 6.844 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.710 -4.487 6.268 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.521 -3.647 6.399 1.00 0.00 C ATOM 1275 C ARG B 467 -1.374 -4.120 5.510 1.00 0.00 C ATOM 1276 O ARG B 467 -0.692 -3.308 4.888 1.00 0.00 O ATOM 1277 CB ARG B 467 -2.077 -3.604 7.860 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.890 -2.638 8.704 1.00 0.00 C ATOM 1279 CD ARG B 467 -2.807 -2.966 10.186 1.00 0.00 C ATOM 1280 NE ARG B 467 -1.433 -3.060 10.673 1.00 0.00 N ATOM 1281 CZ ARG B 467 -1.066 -2.773 11.922 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -1.957 -2.292 12.785 1.00 0.00 N ATOM 1283 NH2 ARG B 467 0.192 -2.955 12.305 1.00 0.00 N ATOM 0 H ARG B 467 -4.001 -4.929 7.140 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.789 -2.644 6.066 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -2.156 -4.604 8.287 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -1.026 -3.320 7.905 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -2.533 -1.622 8.537 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -3.932 -2.666 8.384 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -3.336 -2.199 10.752 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -3.318 -3.910 10.373 1.00 0.00 H new ATOM 0 HE ARG B 467 -0.712 -3.363 10.019 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -2.922 -2.142 12.491 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -1.675 -2.073 13.740 1.00 0.00 H new ATOM 0 HH21 ARG B 467 0.880 -3.315 11.643 1.00 0.00 H new ATOM 0 HH22 ARG B 467 0.471 -2.735 13.261 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.172 -5.427 5.428 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.076 -5.961 4.628 1.00 0.00 C ATOM 1299 C ASN B 468 -0.466 -5.955 3.155 1.00 0.00 C ATOM 1300 O ASN B 468 0.385 -5.919 2.267 1.00 0.00 O ATOM 1301 CB ASN B 468 0.309 -7.366 5.111 1.00 0.00 C ATOM 1302 CG ASN B 468 0.053 -8.458 4.091 1.00 0.00 C ATOM 1303 OD1 ASN B 468 0.916 -8.774 3.269 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.128 -9.048 4.144 1.00 0.00 N ATOM 0 H ASN B 468 -1.743 -6.130 5.898 1.00 0.00 H new ATOM 0 HA ASN B 468 0.803 -5.328 4.748 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.366 -7.371 5.377 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.249 -7.593 6.019 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.354 -9.796 3.489 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -1.813 -8.755 4.840 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.770 -5.963 2.913 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.314 -5.813 1.575 1.00 0.00 C ATOM 1313 C VAL B 469 -1.997 -4.423 1.023 1.00 0.00 C ATOM 1314 O VAL B 469 -1.779 -4.251 -0.182 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.841 -6.069 1.583 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.563 -5.234 0.540 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.124 -7.545 1.367 1.00 0.00 C ATOM 0 H VAL B 469 -2.478 -6.074 3.639 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.848 -6.552 0.923 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.221 -5.768 2.559 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.632 -5.445 0.581 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.394 -4.176 0.741 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.182 -5.481 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.201 -7.714 1.374 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.714 -7.857 0.406 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.660 -8.125 2.165 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.937 -3.442 1.917 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.624 -2.071 1.534 1.00 0.00 C ATOM 1329 C ILE B 470 -0.227 -1.995 0.924 1.00 0.00 C ATOM 1330 O ILE B 470 0.039 -1.164 0.056 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.697 -1.102 2.738 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -2.986 -1.314 3.537 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.608 0.339 2.262 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.250 -1.148 2.722 1.00 0.00 C ATOM 0 H ILE B 470 -2.102 -3.572 2.915 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.371 -1.768 0.801 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.851 -1.313 3.392 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -2.973 -2.315 3.969 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.006 -0.609 4.368 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.661 1.009 3.120 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.664 0.492 1.739 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.436 0.550 1.585 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.118 -1.314 3.359 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.289 -0.139 2.312 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.255 -1.871 1.907 1.00 0.00 H new ATOM 1346 N LEU B 471 0.654 -2.890 1.368 1.00 0.00 N ATOM 1347 CA LEU B 471 2.031 -2.926 0.888 1.00 0.00 C ATOM 1348 C LEU B 471 2.079 -3.247 -0.602 1.00 0.00 C ATOM 1349 O LEU B 471 2.967 -2.790 -1.316 1.00 0.00 O ATOM 1350 CB LEU B 471 2.842 -3.965 1.668 1.00 0.00 C ATOM 1351 CG LEU B 471 2.880 -3.762 3.185 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.645 -4.893 3.852 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.508 -2.421 3.533 1.00 0.00 C ATOM 0 H LEU B 471 0.435 -3.603 2.064 1.00 0.00 H new ATOM 0 HA LEU B 471 2.468 -1.940 1.046 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.431 -4.953 1.461 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.865 -3.960 1.292 1.00 0.00 H new ATOM 0 HG LEU B 471 1.855 -3.767 3.556 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.663 -4.734 4.930 1.00 0.00 H new ATOM 0 HD12 LEU B 471 3.155 -5.842 3.633 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.666 -4.915 3.472 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.525 -2.297 4.616 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.527 -2.385 3.148 1.00 0.00 H new ATOM 0 HD23 LEU B 471 2.923 -1.618 3.085 1.00 0.00 H new ATOM 1365 N GLN B 472 1.120 -4.037 -1.062 1.00 0.00 N ATOM 1366 CA GLN B 472 1.007 -4.361 -2.478 1.00 0.00 C ATOM 1367 C GLN B 472 0.526 -3.146 -3.255 1.00 0.00 C ATOM 1368 O GLN B 472 0.949 -2.907 -4.382 1.00 0.00 O ATOM 1369 CB GLN B 472 0.041 -5.533 -2.691 1.00 0.00 C ATOM 1370 CG GLN B 472 0.655 -6.909 -2.465 1.00 0.00 C ATOM 1371 CD GLN B 472 1.242 -7.080 -1.079 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.421 -6.809 -0.857 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.425 -7.526 -0.138 1.00 0.00 N ATOM 0 H GLN B 472 0.406 -4.467 -0.474 1.00 0.00 H new ATOM 0 HA GLN B 472 1.992 -4.653 -2.843 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.808 -5.414 -2.019 1.00 0.00 H new ATOM 0 HB3 GLN B 472 -0.348 -5.486 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN B 472 -0.108 -7.671 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.436 -7.078 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.546 -7.739 -0.365 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.767 -7.657 0.814 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.338 -2.373 -2.622 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.941 -1.209 -3.250 1.00 0.00 C ATOM 1384 C CYS B 473 0.073 -0.073 -3.391 1.00 0.00 C ATOM 1385 O CYS B 473 0.353 0.388 -4.498 1.00 0.00 O ATOM 1386 CB CYS B 473 -2.143 -0.759 -2.420 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.332 -2.085 -2.091 1.00 0.00 S ATOM 0 H CYS B 473 -0.641 -2.533 -1.661 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.272 -1.478 -4.253 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.789 -0.356 -1.471 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.651 0.052 -2.941 1.00 0.00 H new ATOM 0 HG CYS B 473 -4.266 -1.644 -1.301 1.00 0.00 H new ATOM 1393 N VAL B 474 0.619 0.367 -2.262 1.00 0.00 N ATOM 1394 CA VAL B 474 1.606 1.431 -2.233 1.00 0.00 C ATOM 1395 C VAL B 474 2.807 1.129 -3.140 1.00 0.00 C ATOM 1396 O VAL B 474 3.233 1.986 -3.915 1.00 0.00 O ATOM 1397 CB VAL B 474 2.070 1.691 -0.780 1.00 0.00 C ATOM 1398 CG1 VAL B 474 2.737 0.472 -0.164 1.00 0.00 C ATOM 1399 CG2 VAL B 474 2.985 2.891 -0.713 1.00 0.00 C ATOM 0 H VAL B 474 0.387 -0.007 -1.342 1.00 0.00 H new ATOM 0 HA VAL B 474 1.130 2.332 -2.621 1.00 0.00 H new ATOM 0 HB VAL B 474 1.176 1.902 -0.193 1.00 0.00 H new ATOM 0 HG11 VAL B 474 3.046 0.702 0.856 1.00 0.00 H new ATOM 0 HG12 VAL B 474 2.033 -0.360 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.611 0.198 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL B 474 3.297 3.053 0.319 1.00 0.00 H new ATOM 0 HG22 VAL B 474 3.863 2.714 -1.335 1.00 0.00 H new ATOM 0 HG23 VAL B 474 2.456 3.773 -1.075 1.00 0.00 H new ATOM 1409 N ARG B 475 3.319 -0.096 -3.067 1.00 0.00 N ATOM 1410 CA ARG B 475 4.477 -0.497 -3.867 1.00 0.00 C ATOM 1411 C ARG B 475 4.139 -0.498 -5.353 1.00 0.00 C ATOM 1412 O ARG B 475 4.972 -0.145 -6.185 1.00 0.00 O ATOM 1413 CB ARG B 475 4.978 -1.881 -3.417 1.00 0.00 C ATOM 1414 CG ARG B 475 5.928 -2.577 -4.389 1.00 0.00 C ATOM 1415 CD ARG B 475 7.186 -1.764 -4.678 1.00 0.00 C ATOM 1416 NE ARG B 475 7.960 -1.461 -3.475 1.00 0.00 N ATOM 1417 CZ ARG B 475 8.995 -2.179 -3.042 1.00 0.00 C ATOM 1418 NH1 ARG B 475 9.331 -3.310 -3.652 1.00 0.00 N ATOM 1419 NH2 ARG B 475 9.687 -1.766 -1.989 1.00 0.00 N ATOM 0 H ARG B 475 2.951 -0.830 -2.462 1.00 0.00 H new ATOM 0 HA ARG B 475 5.275 0.229 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG B 475 5.482 -1.772 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG B 475 4.115 -2.526 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG B 475 6.214 -3.545 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG B 475 5.404 -2.770 -5.325 1.00 0.00 H new ATOM 0 HD2 ARG B 475 7.814 -2.314 -5.379 1.00 0.00 H new ATOM 0 HD3 ARG B 475 6.905 -0.831 -5.167 1.00 0.00 H new ATOM 0 HE ARG B 475 7.688 -0.643 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG B 475 8.795 -3.634 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG B 475 10.125 -3.855 -3.315 1.00 0.00 H new ATOM 0 HH21 ARG B 475 9.426 -0.902 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG B 475 10.480 -2.313 -1.654 1.00 0.00 H new ATOM 1433 N TYR B 476 2.909 -0.867 -5.682 1.00 0.00 N ATOM 1434 CA TYR B 476 2.482 -0.914 -7.064 1.00 0.00 C ATOM 1435 C TYR B 476 2.502 0.481 -7.681 1.00 0.00 C ATOM 1436 O TYR B 476 3.043 0.679 -8.767 1.00 0.00 O ATOM 1437 CB TYR B 476 1.079 -1.533 -7.160 1.00 0.00 C ATOM 1438 CG TYR B 476 0.254 -0.990 -8.301 1.00 0.00 C ATOM 1439 CD1 TYR B 476 0.343 -1.522 -9.578 1.00 0.00 C ATOM 1440 CD2 TYR B 476 -0.603 0.075 -8.090 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -0.401 -0.999 -10.618 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -1.352 0.604 -9.118 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.247 0.067 -10.383 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.993 0.595 -11.412 1.00 0.00 O ATOM 0 H TYR B 476 2.193 -1.137 -5.008 1.00 0.00 H new ATOM 0 HA TYR B 476 3.177 -1.539 -7.625 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.175 -2.613 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.549 -1.357 -6.224 1.00 0.00 H new ATOM 0 HD1 TYR B 476 1.003 -2.357 -9.762 1.00 0.00 H new ATOM 0 HD2 TYR B 476 -0.687 0.500 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR B 476 -0.322 -1.421 -11.609 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -2.017 1.434 -8.934 1.00 0.00 H new ATOM 0 HH TYR B 476 -1.641 0.276 -12.269 1.00 0.00 H new ATOM 1454 N ILE B 477 1.929 1.445 -6.971 1.00 0.00 N ATOM 1455 CA ILE B 477 1.781 2.797 -7.494 1.00 0.00 C ATOM 1456 C ILE B 477 3.134 3.469 -7.645 1.00 0.00 C ATOM 1457 O ILE B 477 3.504 3.904 -8.735 1.00 0.00 O ATOM 1458 CB ILE B 477 0.895 3.663 -6.580 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.428 2.952 -6.302 1.00 0.00 C ATOM 1460 CG2 ILE B 477 0.647 5.025 -7.218 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -1.313 3.681 -5.324 1.00 0.00 C ATOM 0 H ILE B 477 1.559 1.315 -6.030 1.00 0.00 H new ATOM 0 HA ILE B 477 1.304 2.709 -8.470 1.00 0.00 H new ATOM 0 HB ILE B 477 1.412 3.816 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.967 2.825 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.220 1.954 -5.916 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.019 5.626 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE B 477 1.599 5.532 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.145 4.892 -8.176 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -2.234 3.117 -5.176 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.794 3.785 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.552 4.669 -5.716 1.00 0.00 H new ATOM 1473 N ILE B 478 3.880 3.512 -6.552 1.00 0.00 N ATOM 1474 CA ILE B 478 5.164 4.201 -6.515 1.00 0.00 C ATOM 1475 C ILE B 478 6.124 3.632 -7.554 1.00 0.00 C ATOM 1476 O ILE B 478 7.013 4.334 -8.043 1.00 0.00 O ATOM 1477 CB ILE B 478 5.806 4.098 -5.113 1.00 0.00 C ATOM 1478 CG1 ILE B 478 4.837 4.611 -4.046 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.108 4.882 -5.049 1.00 0.00 C ATOM 1480 CD1 ILE B 478 5.403 4.559 -2.649 1.00 0.00 C ATOM 0 H ILE B 478 3.616 3.074 -5.670 1.00 0.00 H new ATOM 0 HA ILE B 478 4.975 5.250 -6.745 1.00 0.00 H new ATOM 0 HB ILE B 478 6.027 3.048 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE B 478 4.561 5.639 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE B 478 3.922 4.019 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE B 478 7.538 4.792 -4.051 1.00 0.00 H new ATOM 0 HG22 ILE B 478 7.809 4.484 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE B 478 6.912 5.932 -5.266 1.00 0.00 H new ATOM 0 HD11 ILE B 478 4.664 4.937 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE B 478 5.653 3.529 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE B 478 6.302 5.174 -2.597 1.00 0.00 H new ATOM 1492 N LYS B 479 5.906 2.372 -7.917 1.00 0.00 N ATOM 1493 CA LYS B 479 6.822 1.658 -8.792 1.00 0.00 C ATOM 1494 C LYS B 479 6.875 2.266 -10.193 1.00 0.00 C ATOM 1495 O LYS B 479 7.921 2.245 -10.838 1.00 0.00 O ATOM 1496 CB LYS B 479 6.433 0.183 -8.876 1.00 0.00 C ATOM 1497 CG LYS B 479 7.575 -0.725 -9.297 1.00 0.00 C ATOM 1498 CD LYS B 479 8.702 -0.712 -8.274 1.00 0.00 C ATOM 1499 CE LYS B 479 9.807 -1.686 -8.645 1.00 0.00 C ATOM 1500 NZ LYS B 479 10.499 -1.300 -9.904 1.00 0.00 N ATOM 0 H LYS B 479 5.099 1.825 -7.616 1.00 0.00 H new ATOM 0 HA LYS B 479 7.818 1.748 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.061 -0.142 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.612 0.072 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS B 479 7.206 -1.743 -9.420 1.00 0.00 H new ATOM 0 HG3 LYS B 479 7.958 -0.405 -10.266 1.00 0.00 H new ATOM 0 HD2 LYS B 479 9.114 0.294 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS B 479 8.305 -0.968 -7.292 1.00 0.00 H new ATOM 0 HE2 LYS B 479 10.533 -1.735 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS B 479 9.386 -2.685 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 11.318 -1.923 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 9.841 -1.393 -10.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 10.822 -0.314 -9.834 1.00 0.00 H new ATOM 1514 N LYS B 480 5.760 2.780 -10.687 1.00 0.00 N ATOM 1515 CA LYS B 480 5.778 3.442 -11.986 1.00 0.00 C ATOM 1516 C LYS B 480 5.426 4.920 -11.875 1.00 0.00 C ATOM 1517 O LYS B 480 5.674 5.691 -12.801 1.00 0.00 O ATOM 1518 CB LYS B 480 4.848 2.750 -12.999 1.00 0.00 C ATOM 1519 CG LYS B 480 3.393 2.624 -12.559 1.00 0.00 C ATOM 1520 CD LYS B 480 3.174 1.430 -11.642 1.00 0.00 C ATOM 1521 CE LYS B 480 3.448 0.114 -12.355 1.00 0.00 C ATOM 1522 NZ LYS B 480 3.156 -1.066 -11.496 1.00 0.00 N ATOM 0 H LYS B 480 4.851 2.755 -10.224 1.00 0.00 H new ATOM 0 HA LYS B 480 6.801 3.362 -12.355 1.00 0.00 H new ATOM 0 HB2 LYS B 480 4.881 3.304 -13.937 1.00 0.00 H new ATOM 0 HB3 LYS B 480 5.237 1.753 -13.204 1.00 0.00 H new ATOM 0 HG2 LYS B 480 3.090 3.536 -12.045 1.00 0.00 H new ATOM 0 HG3 LYS B 480 2.756 2.527 -13.438 1.00 0.00 H new ATOM 0 HD2 LYS B 480 3.825 1.515 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.148 1.437 -11.274 1.00 0.00 H new ATOM 0 HE2 LYS B 480 2.842 0.061 -13.260 1.00 0.00 H new ATOM 0 HE3 LYS B 480 4.492 0.083 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 3.177 -1.930 -12.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 3.872 -1.135 -10.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 2.215 -0.959 -11.067 1.00 0.00 H new