USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 98 SER OG : rot -68:sc= -0.719 USER MOD Set 1.2: A 150 TYR OH : rot 120:sc= -1.43 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc= -0.0566 (180deg=-0.252) USER MOD Single : A 107 ASN : amide:sc= -0.0249 K(o=-0.025,f=-1.3!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -109:sc= -0.458 (180deg=-2.72!) USER MOD Single : A 120 MET CE :methyl -177:sc= 0 (180deg=-0.01) USER MOD Single : A 122 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.4!) USER MOD Single : A 124 THR OG1 : rot -120:sc= -1.17 USER MOD Single : A 127 THR OG1 : rot -156:sc= 0.313 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 137 MET CE :methyl -109:sc= -2.57! (180deg=-4.72!) USER MOD Single : A 138 LYS NZ :NH3+ 165:sc= -0.0116 (180deg=-0.161) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.795 X(o=-0.79,f=-1.2) USER MOD Single : A 144 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.6!) USER MOD Single : A 157 MET CE :methyl 159:sc= -0.0549 (180deg=-0.333) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 0.912 14.037 -2.320 1.00 0.00 N ATOM 72 CA SER A 93 1.977 13.390 -1.558 1.00 0.00 C ATOM 73 C SER A 93 1.412 12.654 -0.347 1.00 0.00 C ATOM 74 O SER A 93 1.388 11.423 -0.313 1.00 0.00 O ATOM 75 CB SER A 93 3.015 14.422 -1.108 1.00 0.00 C ATOM 76 OG SER A 93 4.332 13.943 -1.313 1.00 0.00 O ATOM 0 HA SER A 93 2.461 12.661 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.872 15.351 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.869 14.653 -0.053 1.00 0.00 H new ATOM 0 HG SER A 93 4.976 14.621 -1.019 1.00 0.00 H new ATOM 82 N GLU A 94 0.961 13.413 0.646 1.00 0.00 N ATOM 83 CA GLU A 94 0.398 12.831 1.859 1.00 0.00 C ATOM 84 C GLU A 94 -1.112 12.656 1.730 1.00 0.00 C ATOM 85 O GLU A 94 -1.665 11.634 2.136 1.00 0.00 O ATOM 86 CB GLU A 94 0.720 13.710 3.069 1.00 0.00 C ATOM 87 CG GLU A 94 1.043 12.920 4.327 1.00 0.00 C ATOM 88 CD GLU A 94 0.409 13.516 5.568 1.00 0.00 C ATOM 89 OE1 GLU A 94 0.420 14.758 5.703 1.00 0.00 O ATOM 90 OE2 GLU A 94 -0.099 12.741 6.406 1.00 0.00 O ATOM 0 H GLU A 94 0.974 14.433 0.635 1.00 0.00 H new ATOM 0 HA GLU A 94 0.848 11.849 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.567 14.352 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.129 14.364 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.699 11.893 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.124 12.880 4.459 1.00 0.00 H new ATOM 97 N GLU A 95 -1.772 13.661 1.164 1.00 0.00 N ATOM 98 CA GLU A 95 -3.219 13.619 0.983 1.00 0.00 C ATOM 99 C GLU A 95 -3.628 12.423 0.128 1.00 0.00 C ATOM 100 O GLU A 95 -4.724 11.884 0.282 1.00 0.00 O ATOM 101 CB GLU A 95 -3.710 14.916 0.336 1.00 0.00 C ATOM 102 CG GLU A 95 -4.075 15.995 1.342 1.00 0.00 C ATOM 103 CD GLU A 95 -4.524 17.283 0.679 1.00 0.00 C ATOM 104 OE1 GLU A 95 -4.001 17.604 -0.409 1.00 0.00 O ATOM 105 OE2 GLU A 95 -5.398 17.970 1.247 1.00 0.00 O ATOM 0 H GLU A 95 -1.329 14.514 0.823 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.680 13.513 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.935 15.297 -0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.581 14.697 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.871 15.628 1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.214 16.199 1.978 1.00 0.00 H new ATOM 112 N GLU A 96 -2.740 12.013 -0.772 1.00 0.00 N ATOM 113 CA GLU A 96 -3.010 10.879 -1.650 1.00 0.00 C ATOM 114 C GLU A 96 -3.303 9.620 -0.841 1.00 0.00 C ATOM 115 O GLU A 96 -4.360 9.008 -0.987 1.00 0.00 O ATOM 116 CB GLU A 96 -1.823 10.636 -2.583 1.00 0.00 C ATOM 117 CG GLU A 96 -2.116 9.640 -3.693 1.00 0.00 C ATOM 118 CD GLU A 96 -2.927 10.247 -4.821 1.00 0.00 C ATOM 119 OE1 GLU A 96 -2.460 11.237 -5.423 1.00 0.00 O ATOM 120 OE2 GLU A 96 -4.029 9.732 -5.103 1.00 0.00 O ATOM 0 H GLU A 96 -1.828 12.448 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.890 11.116 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.521 11.584 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.978 10.275 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.176 9.258 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.656 8.789 -3.279 1.00 0.00 H new ATOM 127 N LEU A 97 -2.359 9.240 0.014 1.00 0.00 N ATOM 128 CA LEU A 97 -2.518 8.054 0.847 1.00 0.00 C ATOM 129 C LEU A 97 -3.718 8.201 1.777 1.00 0.00 C ATOM 130 O LEU A 97 -4.373 7.218 2.120 1.00 0.00 O ATOM 131 CB LEU A 97 -1.249 7.804 1.665 1.00 0.00 C ATOM 132 CG LEU A 97 -0.046 7.309 0.857 1.00 0.00 C ATOM 133 CD1 LEU A 97 1.174 8.180 1.120 1.00 0.00 C ATOM 134 CD2 LEU A 97 0.254 5.853 1.183 1.00 0.00 C ATOM 0 H LEU A 97 -1.477 9.735 0.148 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.691 7.200 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.972 8.729 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.473 7.072 2.441 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.293 7.380 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.017 7.811 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.956 9.208 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.424 8.145 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.112 5.519 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.478 5.757 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.613 5.239 0.938 1.00 0.00 H new ATOM 146 N SER A 98 -4.003 9.437 2.181 1.00 0.00 N ATOM 147 CA SER A 98 -5.128 9.711 3.071 1.00 0.00 C ATOM 148 C SER A 98 -6.394 9.015 2.583 1.00 0.00 C ATOM 149 O SER A 98 -7.101 8.372 3.359 1.00 0.00 O ATOM 150 CB SER A 98 -5.369 11.218 3.176 1.00 0.00 C ATOM 151 OG SER A 98 -4.162 11.910 3.447 1.00 0.00 O ATOM 0 H SER A 98 -3.471 10.263 1.907 1.00 0.00 H new ATOM 0 HA SER A 98 -4.879 9.320 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.802 11.586 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.093 11.420 3.966 1.00 0.00 H new ATOM 0 HG SER A 98 -3.854 11.688 4.350 1.00 0.00 H new ATOM 157 N ASP A 99 -6.669 9.140 1.289 1.00 0.00 N ATOM 158 CA ASP A 99 -7.844 8.515 0.696 1.00 0.00 C ATOM 159 C ASP A 99 -7.629 7.013 0.526 1.00 0.00 C ATOM 160 O ASP A 99 -8.587 6.241 0.472 1.00 0.00 O ATOM 161 CB ASP A 99 -8.160 9.154 -0.658 1.00 0.00 C ATOM 162 CG ASP A 99 -9.649 9.343 -0.874 1.00 0.00 C ATOM 163 OD1 ASP A 99 -10.212 10.309 -0.318 1.00 0.00 O ATOM 164 OD2 ASP A 99 -10.252 8.526 -1.601 1.00 0.00 O ATOM 0 H ASP A 99 -6.094 9.668 0.632 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.688 8.671 1.368 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.660 10.120 -0.726 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.756 8.529 -1.455 1.00 0.00 H new ATOM 169 N LEU A 100 -6.365 6.605 0.442 1.00 0.00 N ATOM 170 CA LEU A 100 -6.024 5.197 0.278 1.00 0.00 C ATOM 171 C LEU A 100 -6.269 4.420 1.569 1.00 0.00 C ATOM 172 O LEU A 100 -6.914 3.371 1.558 1.00 0.00 O ATOM 173 CB LEU A 100 -4.562 5.051 -0.152 1.00 0.00 C ATOM 174 CG LEU A 100 -4.262 5.485 -1.590 1.00 0.00 C ATOM 175 CD1 LEU A 100 -2.767 5.698 -1.784 1.00 0.00 C ATOM 176 CD2 LEU A 100 -4.790 4.455 -2.578 1.00 0.00 C ATOM 0 H LEU A 100 -5.561 7.231 0.485 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.667 4.783 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.940 5.636 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.267 4.008 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.769 6.432 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.574 6.006 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.418 6.473 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.237 4.768 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.568 4.779 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.312 3.493 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.868 4.354 -2.456 1.00 0.00 H new ATOM 188 N PHE A 101 -5.750 4.937 2.680 1.00 0.00 N ATOM 189 CA PHE A 101 -5.917 4.281 3.974 1.00 0.00 C ATOM 190 C PHE A 101 -7.392 4.185 4.352 1.00 0.00 C ATOM 191 O PHE A 101 -7.903 3.098 4.620 1.00 0.00 O ATOM 192 CB PHE A 101 -5.153 5.034 5.066 1.00 0.00 C ATOM 193 CG PHE A 101 -5.010 4.247 6.339 1.00 0.00 C ATOM 194 CD1 PHE A 101 -4.017 3.287 6.473 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.875 4.462 7.399 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.890 2.559 7.642 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.753 3.738 8.570 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.760 2.786 8.691 1.00 0.00 C ATOM 0 H PHE A 101 -5.213 5.804 2.711 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.511 3.273 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.162 5.294 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.668 5.970 5.281 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.335 3.106 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.654 5.204 7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.113 1.815 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.433 3.917 9.389 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.664 2.219 9.605 1.00 0.00 H new ATOM 208 N ARG A 102 -8.069 5.329 4.374 1.00 0.00 N ATOM 209 CA ARG A 102 -9.486 5.374 4.723 1.00 0.00 C ATOM 210 C ARG A 102 -10.299 4.407 3.864 1.00 0.00 C ATOM 211 O ARG A 102 -11.371 3.956 4.268 1.00 0.00 O ATOM 212 CB ARG A 102 -10.027 6.797 4.560 1.00 0.00 C ATOM 213 CG ARG A 102 -9.870 7.352 3.153 1.00 0.00 C ATOM 214 CD ARG A 102 -11.218 7.590 2.490 1.00 0.00 C ATOM 215 NE ARG A 102 -12.072 8.466 3.288 1.00 0.00 N ATOM 216 CZ ARG A 102 -11.863 9.772 3.435 1.00 0.00 C ATOM 217 NH1 ARG A 102 -10.833 10.357 2.835 1.00 0.00 N ATOM 218 NH2 ARG A 102 -12.685 10.497 4.181 1.00 0.00 N ATOM 0 H ARG A 102 -7.660 6.237 4.154 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.584 5.069 5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.083 6.808 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.512 7.455 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.312 8.288 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -9.285 6.657 2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.065 8.031 1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.720 6.635 2.337 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.876 8.052 3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.198 9.805 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.677 11.358 2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.479 10.054 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.523 11.498 4.293 1.00 0.00 H new ATOM 232 N MET A 103 -9.783 4.093 2.680 1.00 0.00 N ATOM 233 CA MET A 103 -10.465 3.180 1.769 1.00 0.00 C ATOM 234 C MET A 103 -9.994 1.743 1.979 1.00 0.00 C ATOM 235 O MET A 103 -10.740 0.794 1.734 1.00 0.00 O ATOM 236 CB MET A 103 -10.222 3.600 0.318 1.00 0.00 C ATOM 237 CG MET A 103 -11.183 2.959 -0.670 1.00 0.00 C ATOM 238 SD MET A 103 -10.549 2.963 -2.358 1.00 0.00 S ATOM 239 CE MET A 103 -9.494 1.516 -2.327 1.00 0.00 C ATOM 0 H MET A 103 -8.897 4.456 2.329 1.00 0.00 H new ATOM 0 HA MET A 103 -11.533 3.227 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 103 -10.307 4.684 0.243 1.00 0.00 H new ATOM 0 HB3 MET A 103 -9.201 3.340 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 103 -11.382 1.932 -0.363 1.00 0.00 H new ATOM 0 HG3 MET A 103 -12.134 3.490 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.028 1.384 -3.304 1.00 0.00 H new ATOM 0 HE2 MET A 103 -8.720 1.646 -1.571 1.00 0.00 H new ATOM 0 HE3 MET A 103 -10.091 0.636 -2.088 1.00 0.00 H new ATOM 249 N PHE A 104 -8.754 1.588 2.432 1.00 0.00 N ATOM 250 CA PHE A 104 -8.187 0.265 2.671 1.00 0.00 C ATOM 251 C PHE A 104 -8.599 -0.269 4.039 1.00 0.00 C ATOM 252 O PHE A 104 -8.947 -1.442 4.178 1.00 0.00 O ATOM 253 CB PHE A 104 -6.661 0.315 2.571 1.00 0.00 C ATOM 254 CG PHE A 104 -6.044 -0.995 2.170 1.00 0.00 C ATOM 255 CD1 PHE A 104 -6.194 -2.119 2.967 1.00 0.00 C ATOM 256 CD2 PHE A 104 -5.315 -1.103 0.996 1.00 0.00 C ATOM 257 CE1 PHE A 104 -5.629 -3.325 2.601 1.00 0.00 C ATOM 258 CE2 PHE A 104 -4.747 -2.307 0.625 1.00 0.00 C ATOM 259 CZ PHE A 104 -4.904 -3.420 1.429 1.00 0.00 C ATOM 0 H PHE A 104 -8.123 2.361 2.641 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.574 -0.409 1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.377 1.078 1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.251 0.621 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.759 -2.051 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.189 -0.236 0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.754 -4.193 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.181 -2.378 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.461 -4.362 1.142 1.00 0.00 H new ATOM 269 N ASP A 105 -8.553 0.596 5.047 1.00 0.00 N ATOM 270 CA ASP A 105 -8.919 0.208 6.405 1.00 0.00 C ATOM 271 C ASP A 105 -10.422 -0.035 6.517 1.00 0.00 C ATOM 272 O ASP A 105 -11.130 0.694 7.212 1.00 0.00 O ATOM 273 CB ASP A 105 -8.488 1.288 7.399 1.00 0.00 C ATOM 274 CG ASP A 105 -8.211 0.726 8.780 1.00 0.00 C ATOM 275 OD1 ASP A 105 -7.826 -0.458 8.873 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.379 1.471 9.768 1.00 0.00 O ATOM 0 H ASP A 105 -8.266 1.570 4.949 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.402 -0.722 6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.593 1.785 7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.268 2.046 7.468 1.00 0.00 H new ATOM 281 N LYS A 106 -10.901 -1.066 5.830 1.00 0.00 N ATOM 282 CA LYS A 106 -12.319 -1.409 5.853 1.00 0.00 C ATOM 283 C LYS A 106 -12.744 -1.896 7.236 1.00 0.00 C ATOM 284 O LYS A 106 -13.922 -1.839 7.589 1.00 0.00 O ATOM 285 CB LYS A 106 -12.623 -2.483 4.806 1.00 0.00 C ATOM 286 CG LYS A 106 -12.725 -1.939 3.390 1.00 0.00 C ATOM 287 CD LYS A 106 -11.790 -2.671 2.440 1.00 0.00 C ATOM 288 CE LYS A 106 -12.468 -3.878 1.812 1.00 0.00 C ATOM 289 NZ LYS A 106 -12.716 -4.957 2.807 1.00 0.00 N ATOM 0 H LYS A 106 -10.328 -1.679 5.250 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.886 -0.509 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.842 -3.243 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.559 -2.977 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.752 -2.034 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.485 -0.876 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.459 -1.989 1.656 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.899 -2.992 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.414 -3.571 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.846 -4.265 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.004 -5.825 2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.846 -5.139 3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.472 -4.662 3.458 1.00 0.00 H new ATOM 303 N ASN A 107 -11.779 -2.375 8.016 1.00 0.00 N ATOM 304 CA ASN A 107 -12.058 -2.870 9.359 1.00 0.00 C ATOM 305 C ASN A 107 -12.436 -1.726 10.294 1.00 0.00 C ATOM 306 O ASN A 107 -13.162 -1.921 11.269 1.00 0.00 O ATOM 307 CB ASN A 107 -10.842 -3.616 9.912 1.00 0.00 C ATOM 308 CG ASN A 107 -11.184 -4.462 11.123 1.00 0.00 C ATOM 309 OD1 ASN A 107 -12.324 -4.893 11.292 1.00 0.00 O ATOM 310 ND2 ASN A 107 -10.193 -4.704 11.974 1.00 0.00 N ATOM 0 H ASN A 107 -10.798 -2.431 7.741 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.901 -3.558 9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.425 -4.254 9.133 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.069 -2.896 10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.362 -5.267 12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.263 -4.326 11.794 1.00 0.00 H new ATOM 317 N ALA A 108 -11.937 -0.531 9.991 1.00 0.00 N ATOM 318 CA ALA A 108 -12.222 0.646 10.803 1.00 0.00 C ATOM 319 C ALA A 108 -11.672 0.483 12.216 1.00 0.00 C ATOM 320 O ALA A 108 -12.415 0.188 13.152 1.00 0.00 O ATOM 321 CB ALA A 108 -13.719 0.911 10.844 1.00 0.00 C ATOM 0 H ALA A 108 -11.333 -0.353 9.189 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.727 1.502 10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.916 1.793 11.454 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.086 1.081 9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.229 0.050 11.276 1.00 0.00 H new ATOM 327 N ASP A 109 -10.365 0.675 12.362 1.00 0.00 N ATOM 328 CA ASP A 109 -9.715 0.549 13.661 1.00 0.00 C ATOM 329 C ASP A 109 -8.615 1.593 13.826 1.00 0.00 C ATOM 330 O ASP A 109 -8.523 2.254 14.860 1.00 0.00 O ATOM 331 CB ASP A 109 -9.130 -0.855 13.827 1.00 0.00 C ATOM 332 CG ASP A 109 -8.134 -1.199 12.737 1.00 0.00 C ATOM 333 OD1 ASP A 109 -8.310 -0.718 11.598 1.00 0.00 O ATOM 334 OD2 ASP A 109 -7.178 -1.950 13.023 1.00 0.00 O ATOM 0 H ASP A 109 -9.736 0.918 11.597 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.467 0.717 14.432 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.641 -0.929 14.798 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -9.939 -1.586 13.820 1.00 0.00 H new ATOM 339 N GLY A 110 -7.783 1.736 12.799 1.00 0.00 N ATOM 340 CA GLY A 110 -6.700 2.701 12.852 1.00 0.00 C ATOM 341 C GLY A 110 -5.452 2.213 12.142 1.00 0.00 C ATOM 342 O GLY A 110 -4.651 3.013 11.661 1.00 0.00 O ATOM 0 H GLY A 110 -7.839 1.202 11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.029 3.637 12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -6.461 2.917 13.893 1.00 0.00 H new ATOM 346 N TYR A 111 -5.288 0.895 12.079 1.00 0.00 N ATOM 347 CA TYR A 111 -4.129 0.293 11.424 1.00 0.00 C ATOM 348 C TYR A 111 -4.551 -0.914 10.593 1.00 0.00 C ATOM 349 O TYR A 111 -5.740 -1.215 10.483 1.00 0.00 O ATOM 350 CB TYR A 111 -3.078 -0.132 12.460 1.00 0.00 C ATOM 351 CG TYR A 111 -3.581 -0.133 13.889 1.00 0.00 C ATOM 352 CD1 TYR A 111 -3.813 1.059 14.564 1.00 0.00 C ATOM 353 CD2 TYR A 111 -3.824 -1.325 14.560 1.00 0.00 C ATOM 354 CE1 TYR A 111 -4.271 1.064 15.866 1.00 0.00 C ATOM 355 CE2 TYR A 111 -4.283 -1.329 15.863 1.00 0.00 C ATOM 356 CZ TYR A 111 -4.505 -0.132 16.512 1.00 0.00 C ATOM 357 OH TYR A 111 -4.962 -0.131 17.810 1.00 0.00 O ATOM 0 H TYR A 111 -5.944 0.221 12.474 1.00 0.00 H new ATOM 0 HA TYR A 111 -3.689 1.041 10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -2.722 -1.132 12.211 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -2.221 0.538 12.388 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.632 1.998 14.061 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -3.651 -2.264 14.055 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -4.445 2.000 16.376 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -4.467 -2.264 16.371 1.00 0.00 H new ATOM 0 HH TYR A 111 -5.076 -1.055 18.117 1.00 0.00 H new ATOM 367 N ILE A 112 -3.574 -1.607 10.015 1.00 0.00 N ATOM 368 CA ILE A 112 -3.861 -2.785 9.203 1.00 0.00 C ATOM 369 C ILE A 112 -3.270 -4.039 9.838 1.00 0.00 C ATOM 370 O ILE A 112 -2.098 -4.064 10.214 1.00 0.00 O ATOM 371 CB ILE A 112 -3.305 -2.637 7.774 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.766 -1.313 7.156 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.736 -3.816 6.910 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.417 -1.171 5.689 1.00 0.00 C ATOM 0 H ILE A 112 -2.584 -1.375 10.093 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.946 -2.878 9.151 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.216 -2.631 7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.846 -1.224 7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.316 -0.488 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.335 -3.696 5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.358 -4.742 7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.824 -3.855 6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.775 -0.209 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.336 -1.227 5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.889 -1.974 5.123 1.00 0.00 H new ATOM 386 N ASP A 113 -4.093 -5.076 9.959 1.00 0.00 N ATOM 387 CA ASP A 113 -3.658 -6.333 10.555 1.00 0.00 C ATOM 388 C ASP A 113 -3.734 -7.473 9.545 1.00 0.00 C ATOM 389 O ASP A 113 -4.062 -7.260 8.377 1.00 0.00 O ATOM 390 CB ASP A 113 -4.514 -6.663 11.779 1.00 0.00 C ATOM 391 CG ASP A 113 -3.926 -6.109 13.062 1.00 0.00 C ATOM 392 OD1 ASP A 113 -2.909 -6.658 13.535 1.00 0.00 O ATOM 393 OD2 ASP A 113 -4.482 -5.125 13.594 1.00 0.00 O ATOM 0 H ASP A 113 -5.066 -5.070 9.652 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.619 -6.218 10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.516 -6.259 11.638 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.616 -7.745 11.867 1.00 0.00 H new ATOM 398 N LEU A 114 -3.426 -8.683 10.003 1.00 0.00 N ATOM 399 CA LEU A 114 -3.452 -9.864 9.144 1.00 0.00 C ATOM 400 C LEU A 114 -4.781 -9.986 8.403 1.00 0.00 C ATOM 401 O LEU A 114 -4.808 -10.219 7.195 1.00 0.00 O ATOM 402 CB LEU A 114 -3.202 -11.123 9.977 1.00 0.00 C ATOM 403 CG LEU A 114 -1.741 -11.373 10.365 1.00 0.00 C ATOM 404 CD1 LEU A 114 -0.954 -11.911 9.178 1.00 0.00 C ATOM 405 CD2 LEU A 114 -1.099 -10.099 10.898 1.00 0.00 C ATOM 0 H LEU A 114 -3.154 -8.872 10.968 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.661 -9.756 8.402 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.797 -11.060 10.888 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.565 -11.986 9.419 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.724 -12.122 11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.081 -12.082 9.475 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.395 -12.850 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.983 -11.187 8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.062 -10.299 11.167 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.132 -9.326 10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.643 -9.758 11.779 1.00 0.00 H new ATOM 417 N GLU A 115 -5.880 -9.831 9.134 1.00 0.00 N ATOM 418 CA GLU A 115 -7.211 -9.927 8.544 1.00 0.00 C ATOM 419 C GLU A 115 -7.369 -8.952 7.383 1.00 0.00 C ATOM 420 O GLU A 115 -8.126 -9.205 6.445 1.00 0.00 O ATOM 421 CB GLU A 115 -8.282 -9.657 9.602 1.00 0.00 C ATOM 422 CG GLU A 115 -8.679 -10.911 10.356 1.00 0.00 C ATOM 423 OE1 GLU A 115 -9.849 -11.001 10.786 1.00 0.00 O ATOM 424 OE2 GLU A 115 -7.821 -11.804 10.517 1.00 0.00 O ATOM 0 H GLU A 115 -5.876 -9.638 10.136 1.00 0.00 H new ATOM 0 HA GLU A 115 -7.335 -10.940 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -7.912 -8.914 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.163 -9.230 9.123 1.00 0.00 H new ATOM 429 N GLU A 116 -6.651 -7.837 7.449 1.00 0.00 N ATOM 430 CA GLU A 116 -6.714 -6.829 6.399 1.00 0.00 C ATOM 431 C GLU A 116 -5.720 -7.143 5.284 1.00 0.00 C ATOM 432 O GLU A 116 -5.926 -6.760 4.132 1.00 0.00 O ATOM 433 CB GLU A 116 -6.437 -5.440 6.975 1.00 0.00 C ATOM 434 CG GLU A 116 -7.698 -4.663 7.317 1.00 0.00 C ATOM 435 CD GLU A 116 -7.593 -3.929 8.640 1.00 0.00 C ATOM 436 OE1 GLU A 116 -6.818 -4.380 9.510 1.00 0.00 O ATOM 437 OE2 GLU A 116 -8.287 -2.904 8.807 1.00 0.00 O ATOM 0 H GLU A 116 -6.020 -7.609 8.217 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.719 -6.841 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.828 -5.543 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.851 -4.868 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.904 -3.945 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.544 -5.349 7.353 1.00 0.00 H new ATOM 444 N LEU A 117 -4.644 -7.846 5.629 1.00 0.00 N ATOM 445 CA LEU A 117 -3.626 -8.212 4.649 1.00 0.00 C ATOM 446 C LEU A 117 -4.253 -8.951 3.473 1.00 0.00 C ATOM 447 O LEU A 117 -3.796 -8.832 2.336 1.00 0.00 O ATOM 448 CB LEU A 117 -2.547 -9.084 5.294 1.00 0.00 C ATOM 449 CG LEU A 117 -1.760 -8.417 6.423 1.00 0.00 C ATOM 450 CD1 LEU A 117 -0.688 -9.358 6.948 1.00 0.00 C ATOM 451 CD2 LEU A 117 -1.140 -7.112 5.943 1.00 0.00 C ATOM 0 H LEU A 117 -4.455 -8.172 6.577 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.166 -7.295 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.017 -9.987 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.846 -9.399 4.521 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.448 -8.189 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.136 -8.869 7.751 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.156 -10.266 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.002 -9.615 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.584 -6.651 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.464 -7.314 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.928 -6.435 5.613 1.00 0.00 H new ATOM 463 N LYS A 118 -5.311 -9.707 3.754 1.00 0.00 N ATOM 464 CA LYS A 118 -6.011 -10.457 2.717 1.00 0.00 C ATOM 465 C LYS A 118 -6.443 -9.526 1.590 1.00 0.00 C ATOM 466 O LYS A 118 -6.446 -9.906 0.420 1.00 0.00 O ATOM 467 CB LYS A 118 -7.230 -11.166 3.309 1.00 0.00 C ATOM 468 CG LYS A 118 -7.782 -12.273 2.425 1.00 0.00 C ATOM 469 CD LYS A 118 -8.805 -11.739 1.433 1.00 0.00 C ATOM 470 CE LYS A 118 -9.989 -11.100 2.141 1.00 0.00 C ATOM 471 NZ LYS A 118 -11.219 -11.130 1.303 1.00 0.00 N ATOM 0 H LYS A 118 -5.701 -9.816 4.690 1.00 0.00 H new ATOM 0 HA LYS A 118 -5.331 -11.206 2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -6.960 -11.587 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.015 -10.431 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.964 -12.750 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -8.243 -13.040 3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.332 -11.006 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.156 -12.552 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -10.176 -11.622 3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -9.747 -10.068 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.441 -10.168 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.064 -11.747 0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -12.013 -11.497 1.865 1.00 0.00 H new ATOM 485 N ILE A 119 -6.798 -8.299 1.958 1.00 0.00 N ATOM 486 CA ILE A 119 -7.224 -7.299 0.985 1.00 0.00 C ATOM 487 C ILE A 119 -6.150 -7.078 -0.076 1.00 0.00 C ATOM 488 O ILE A 119 -6.452 -6.732 -1.218 1.00 0.00 O ATOM 489 CB ILE A 119 -7.545 -5.953 1.668 1.00 0.00 C ATOM 490 CG1 ILE A 119 -8.579 -6.152 2.777 1.00 0.00 C ATOM 491 CG2 ILE A 119 -8.044 -4.940 0.648 1.00 0.00 C ATOM 492 CD1 ILE A 119 -8.396 -5.213 3.949 1.00 0.00 C ATOM 0 H ILE A 119 -6.799 -7.973 2.924 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.128 -7.680 0.510 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.629 -5.566 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.577 -6.012 2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -8.524 -7.180 3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -8.265 -3.998 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -7.277 -4.777 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.949 -5.318 0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.164 -5.411 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -7.411 -5.369 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.481 -4.182 3.606 1.00 0.00 H new ATOM 504 N MET A 120 -4.894 -7.282 0.310 1.00 0.00 N ATOM 505 CA MET A 120 -3.775 -7.108 -0.608 1.00 0.00 C ATOM 506 C MET A 120 -3.885 -8.076 -1.780 1.00 0.00 C ATOM 507 O MET A 120 -3.749 -7.684 -2.939 1.00 0.00 O ATOM 508 CB MET A 120 -2.448 -7.323 0.122 1.00 0.00 C ATOM 509 CG MET A 120 -2.296 -6.477 1.377 1.00 0.00 C ATOM 510 SD MET A 120 -1.823 -4.775 1.015 1.00 0.00 S ATOM 511 CE MET A 120 -1.738 -4.089 2.667 1.00 0.00 C ATOM 0 H MET A 120 -4.626 -7.568 1.252 1.00 0.00 H new ATOM 0 HA MET A 120 -3.807 -6.089 -0.993 1.00 0.00 H new ATOM 0 HB2 MET A 120 -2.358 -8.375 0.391 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.628 -7.097 -0.559 1.00 0.00 H new ATOM 0 HG2 MET A 120 -3.237 -6.479 1.928 1.00 0.00 H new ATOM 0 HG3 MET A 120 -1.545 -6.928 2.026 1.00 0.00 H new ATOM 0 HE1 MET A 120 -1.508 -3.025 2.608 1.00 0.00 H new ATOM 0 HE2 MET A 120 -2.697 -4.226 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.958 -4.598 3.233 1.00 0.00 H new ATOM 521 N LEU A 121 -4.135 -9.344 -1.469 1.00 0.00 N ATOM 522 CA LEU A 121 -4.267 -10.372 -2.495 1.00 0.00 C ATOM 523 C LEU A 121 -5.613 -10.260 -3.203 1.00 0.00 C ATOM 524 O LEU A 121 -5.723 -10.539 -4.397 1.00 0.00 O ATOM 525 CB LEU A 121 -4.114 -11.763 -1.875 1.00 0.00 C ATOM 526 CG LEU A 121 -3.324 -12.771 -2.715 1.00 0.00 C ATOM 527 CD1 LEU A 121 -4.129 -13.212 -3.929 1.00 0.00 C ATOM 528 CD2 LEU A 121 -1.986 -12.182 -3.140 1.00 0.00 C ATOM 0 H LEU A 121 -4.250 -9.684 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.477 -10.223 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.624 -11.659 -0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.107 -12.171 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.131 -13.650 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.548 -13.928 -4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.057 -13.680 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.360 -12.344 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.439 -12.913 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.156 -11.284 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.403 -11.927 -2.255 1.00 0.00 H new ATOM 540 N GLN A 122 -6.636 -9.846 -2.460 1.00 0.00 N ATOM 541 CA GLN A 122 -7.977 -9.694 -3.016 1.00 0.00 C ATOM 542 C GLN A 122 -7.944 -8.873 -4.304 1.00 0.00 C ATOM 543 O GLN A 122 -8.796 -9.035 -5.177 1.00 0.00 O ATOM 544 CB GLN A 122 -8.903 -9.029 -1.994 1.00 0.00 C ATOM 545 CG GLN A 122 -10.194 -9.795 -1.755 1.00 0.00 C ATOM 546 CD GLN A 122 -11.415 -8.897 -1.763 1.00 0.00 C ATOM 547 OE1 GLN A 122 -11.309 -7.683 -1.589 1.00 0.00 O ATOM 548 NE2 GLN A 122 -12.585 -9.492 -1.966 1.00 0.00 N ATOM 0 H GLN A 122 -6.561 -9.610 -1.471 1.00 0.00 H new ATOM 0 HA GLN A 122 -8.361 -10.687 -3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.371 -8.925 -1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -9.145 -8.023 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.305 -10.560 -2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.134 -10.311 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -12.626 -10.502 -2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -13.442 -8.939 -1.982 1.00 0.00 H new ATOM 557 N ALA A 123 -6.953 -7.995 -4.414 1.00 0.00 N ATOM 558 CA ALA A 123 -6.806 -7.152 -5.593 1.00 0.00 C ATOM 559 C ALA A 123 -6.176 -7.926 -6.747 1.00 0.00 C ATOM 560 O ALA A 123 -6.376 -7.589 -7.914 1.00 0.00 O ATOM 561 CB ALA A 123 -5.972 -5.923 -5.262 1.00 0.00 C ATOM 0 H ALA A 123 -6.239 -7.849 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 123 -7.800 -6.830 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.870 -5.302 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -6.463 -5.351 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.984 -6.234 -4.922 1.00 0.00 H new ATOM 567 N THR A 124 -5.414 -8.965 -6.416 1.00 0.00 N ATOM 568 CA THR A 124 -4.758 -9.783 -7.429 1.00 0.00 C ATOM 569 C THR A 124 -5.579 -11.032 -7.735 1.00 0.00 C ATOM 570 O THR A 124 -5.992 -11.252 -8.873 1.00 0.00 O ATOM 571 CB THR A 124 -3.357 -10.180 -6.964 1.00 0.00 C ATOM 572 OG1 THR A 124 -3.316 -10.319 -5.555 1.00 0.00 O ATOM 573 CG2 THR A 124 -2.291 -9.181 -7.356 1.00 0.00 C ATOM 0 H THR A 124 -5.236 -9.259 -5.456 1.00 0.00 H new ATOM 0 HA THR A 124 -4.676 -9.192 -8.341 1.00 0.00 H new ATOM 0 HB THR A 124 -3.146 -11.127 -7.461 1.00 0.00 H new ATOM 0 HG1 THR A 124 -2.662 -9.691 -5.183 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.321 -9.523 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 124 -2.262 -9.087 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 124 -2.521 -8.211 -6.914 1.00 0.00 H new ATOM 581 N GLY A 125 -5.812 -11.847 -6.710 1.00 0.00 N ATOM 582 CA GLY A 125 -6.583 -13.063 -6.890 1.00 0.00 C ATOM 583 C GLY A 125 -5.704 -14.279 -7.109 1.00 0.00 C ATOM 584 O GLY A 125 -6.072 -15.394 -6.738 1.00 0.00 O ATOM 0 H GLY A 125 -5.481 -11.687 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -7.210 -13.225 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -7.251 -12.943 -7.743 1.00 0.00 H new ATOM 588 N GLU A 126 -4.540 -14.065 -7.713 1.00 0.00 N ATOM 589 CA GLU A 126 -3.605 -15.151 -7.982 1.00 0.00 C ATOM 590 C GLU A 126 -2.279 -14.606 -8.504 1.00 0.00 C ATOM 591 O GLU A 126 -1.986 -14.692 -9.697 1.00 0.00 O ATOM 592 CB GLU A 126 -4.207 -16.132 -8.992 1.00 0.00 C ATOM 593 CG GLU A 126 -4.665 -17.441 -8.371 1.00 0.00 C ATOM 594 CD GLU A 126 -5.806 -18.082 -9.137 1.00 0.00 C ATOM 595 OE1 GLU A 126 -5.583 -18.503 -10.292 1.00 0.00 O ATOM 596 OE2 GLU A 126 -6.922 -18.164 -8.582 1.00 0.00 O ATOM 0 H GLU A 126 -4.221 -13.148 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 126 -3.416 -15.679 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -5.055 -15.657 -9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -3.467 -16.345 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -3.824 -18.134 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -4.978 -17.261 -7.343 1.00 0.00 H new ATOM 603 N THR A 127 -1.480 -14.044 -7.603 1.00 0.00 N ATOM 604 CA THR A 127 -0.185 -13.483 -7.973 1.00 0.00 C ATOM 605 C THR A 127 0.953 -14.275 -7.342 1.00 0.00 C ATOM 606 O THR A 127 1.942 -14.595 -8.002 1.00 0.00 O ATOM 607 CB THR A 127 -0.099 -12.017 -7.547 1.00 0.00 C ATOM 608 OG1 THR A 127 1.240 -11.556 -7.607 1.00 0.00 O ATOM 609 CG2 THR A 127 -0.606 -11.770 -6.142 1.00 0.00 C ATOM 0 H THR A 127 -1.706 -13.965 -6.612 1.00 0.00 H new ATOM 0 HA THR A 127 -0.088 -13.545 -9.057 1.00 0.00 H new ATOM 0 HB THR A 127 -0.736 -11.475 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.350 -10.791 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.516 -10.710 -5.904 1.00 0.00 H new ATOM 0 HG22 THR A 127 -1.652 -12.070 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 127 -0.015 -12.352 -5.434 1.00 0.00 H new ATOM 617 N ILE A 128 0.806 -14.588 -6.062 1.00 0.00 N ATOM 618 CA ILE A 128 1.820 -15.344 -5.338 1.00 0.00 C ATOM 619 C ILE A 128 1.194 -16.485 -4.540 1.00 0.00 C ATOM 620 O ILE A 128 1.241 -17.642 -4.957 1.00 0.00 O ATOM 621 CB ILE A 128 2.625 -14.438 -4.383 1.00 0.00 C ATOM 622 CG1 ILE A 128 3.135 -13.202 -5.123 1.00 0.00 C ATOM 623 CG2 ILE A 128 3.784 -15.208 -3.769 1.00 0.00 C ATOM 624 CD1 ILE A 128 4.085 -13.525 -6.256 1.00 0.00 C ATOM 0 H ILE A 128 -0.007 -14.330 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 128 2.497 -15.759 -6.085 1.00 0.00 H new ATOM 0 HB ILE A 128 1.965 -14.111 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.284 -12.649 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 128 3.639 -12.546 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 128 4.341 -14.554 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.399 -16.059 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.444 -15.563 -4.560 1.00 0.00 H new ATOM 0 HD11 ILE A 128 4.406 -12.601 -6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 128 4.955 -14.051 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 128 3.579 -14.156 -6.986 1.00 0.00 H new ATOM 636 N THR A 129 0.608 -16.150 -3.391 1.00 0.00 N ATOM 637 CA THR A 129 -0.031 -17.138 -2.525 1.00 0.00 C ATOM 638 C THR A 129 -0.318 -16.535 -1.154 1.00 0.00 C ATOM 639 O THR A 129 0.079 -15.405 -0.870 1.00 0.00 O ATOM 640 CB THR A 129 0.855 -18.380 -2.370 1.00 0.00 C ATOM 641 OG1 THR A 129 0.431 -19.169 -1.273 1.00 0.00 O ATOM 642 CG2 THR A 129 2.317 -18.051 -2.160 1.00 0.00 C ATOM 0 H THR A 129 0.563 -15.194 -3.037 1.00 0.00 H new ATOM 0 HA THR A 129 -0.972 -17.436 -2.988 1.00 0.00 H new ATOM 0 HB THR A 129 0.752 -18.924 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 129 1.009 -19.957 -1.194 1.00 0.00 H new ATOM 0 HG21 THR A 129 2.887 -18.975 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 129 2.690 -17.487 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.429 -17.454 -1.255 1.00 0.00 H new ATOM 650 N GLU A 130 -1.004 -17.293 -0.305 1.00 0.00 N ATOM 651 CA GLU A 130 -1.334 -16.828 1.037 1.00 0.00 C ATOM 652 C GLU A 130 -0.074 -16.431 1.804 1.00 0.00 C ATOM 653 O GLU A 130 -0.134 -15.649 2.753 1.00 0.00 O ATOM 654 CB GLU A 130 -2.090 -17.914 1.804 1.00 0.00 C ATOM 655 CG GLU A 130 -3.186 -17.371 2.707 1.00 0.00 C ATOM 656 CD GLU A 130 -4.107 -18.459 3.224 1.00 0.00 C ATOM 657 OE1 GLU A 130 -3.603 -19.420 3.843 1.00 0.00 O ATOM 658 OE2 GLU A 130 -5.333 -18.349 3.012 1.00 0.00 O ATOM 0 H GLU A 130 -1.342 -18.231 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.971 -15.949 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.530 -18.611 1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -1.381 -18.481 2.408 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.732 -16.852 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.772 -16.634 2.158 1.00 0.00 H new ATOM 665 N ASP A 131 1.067 -16.976 1.387 1.00 0.00 N ATOM 666 CA ASP A 131 2.340 -16.680 2.034 1.00 0.00 C ATOM 667 C ASP A 131 2.737 -15.222 1.824 1.00 0.00 C ATOM 668 O ASP A 131 3.087 -14.522 2.775 1.00 0.00 O ATOM 669 CB ASP A 131 3.436 -17.600 1.495 1.00 0.00 C ATOM 670 CG ASP A 131 4.562 -17.803 2.490 1.00 0.00 C ATOM 671 OD1 ASP A 131 4.300 -18.362 3.576 1.00 0.00 O ATOM 672 OD2 ASP A 131 5.704 -17.402 2.184 1.00 0.00 O ATOM 0 H ASP A 131 1.134 -17.625 0.603 1.00 0.00 H new ATOM 0 HA ASP A 131 2.221 -16.853 3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 131 3.002 -18.567 1.240 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.840 -17.179 0.574 1.00 0.00 H new ATOM 677 N ASP A 132 2.683 -14.767 0.574 1.00 0.00 N ATOM 678 CA ASP A 132 3.041 -13.391 0.243 1.00 0.00 C ATOM 679 C ASP A 132 2.283 -12.399 1.120 1.00 0.00 C ATOM 680 O ASP A 132 2.776 -11.309 1.409 1.00 0.00 O ATOM 681 CB ASP A 132 2.753 -13.108 -1.232 1.00 0.00 C ATOM 682 CG ASP A 132 3.731 -12.116 -1.830 1.00 0.00 C ATOM 683 OD1 ASP A 132 3.512 -10.897 -1.670 1.00 0.00 O ATOM 684 OD2 ASP A 132 4.717 -12.558 -2.457 1.00 0.00 O ATOM 0 H ASP A 132 2.395 -15.331 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 132 4.108 -13.268 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.796 -14.041 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.739 -12.721 -1.334 1.00 0.00 H new ATOM 689 N ILE A 133 1.083 -12.784 1.542 1.00 0.00 N ATOM 690 CA ILE A 133 0.261 -11.928 2.387 1.00 0.00 C ATOM 691 C ILE A 133 0.931 -11.683 3.736 1.00 0.00 C ATOM 692 O ILE A 133 0.888 -10.575 4.269 1.00 0.00 O ATOM 693 CB ILE A 133 -1.136 -12.539 2.611 1.00 0.00 C ATOM 694 CG1 ILE A 133 -1.816 -12.799 1.260 1.00 0.00 C ATOM 695 CG2 ILE A 133 -1.980 -11.622 3.486 1.00 0.00 C ATOM 696 CD1 ILE A 133 -3.330 -12.768 1.310 1.00 0.00 C ATOM 0 H ILE A 133 0.659 -13.683 1.312 1.00 0.00 H new ATOM 0 HA ILE A 133 0.149 -10.976 1.868 1.00 0.00 H new ATOM 0 HB ILE A 133 -1.032 -13.492 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -1.472 -12.053 0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -1.496 -13.772 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -2.964 -12.066 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -1.491 -11.489 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -2.090 -10.653 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -3.731 -12.961 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.687 -13.533 2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -3.663 -11.788 1.652 1.00 0.00 H new ATOM 708 N GLU A 134 1.552 -12.724 4.281 1.00 0.00 N ATOM 709 CA GLU A 134 2.232 -12.620 5.567 1.00 0.00 C ATOM 710 C GLU A 134 3.595 -11.956 5.405 1.00 0.00 C ATOM 711 O GLU A 134 4.070 -11.262 6.304 1.00 0.00 O ATOM 712 CB GLU A 134 2.396 -14.004 6.196 1.00 0.00 C ATOM 713 CG GLU A 134 2.406 -13.985 7.716 1.00 0.00 C ATOM 714 CD GLU A 134 3.014 -15.239 8.311 1.00 0.00 C ATOM 715 OE1 GLU A 134 4.144 -15.596 7.916 1.00 0.00 O ATOM 716 OE2 GLU A 134 2.362 -15.865 9.173 1.00 0.00 O ATOM 0 H GLU A 134 1.598 -13.649 3.853 1.00 0.00 H new ATOM 0 HA GLU A 134 1.621 -12.002 6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 134 1.585 -14.647 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 134 3.326 -14.447 5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 134 2.966 -13.116 8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 134 1.385 -13.872 8.081 1.00 0.00 H new ATOM 723 N GLU A 135 4.218 -12.171 4.251 1.00 0.00 N ATOM 724 CA GLU A 135 5.525 -11.590 3.968 1.00 0.00 C ATOM 725 C GLU A 135 5.392 -10.120 3.586 1.00 0.00 C ATOM 726 O GLU A 135 6.303 -9.324 3.813 1.00 0.00 O ATOM 727 CB GLU A 135 6.217 -12.362 2.843 1.00 0.00 C ATOM 728 CG GLU A 135 6.846 -13.668 3.299 1.00 0.00 C ATOM 729 CD GLU A 135 8.206 -13.468 3.940 1.00 0.00 C ATOM 730 OE1 GLU A 135 8.330 -12.574 4.803 1.00 0.00 O ATOM 731 OE2 GLU A 135 9.146 -14.206 3.579 1.00 0.00 O ATOM 0 H GLU A 135 3.839 -12.743 3.497 1.00 0.00 H new ATOM 0 HA GLU A 135 6.131 -11.660 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.491 -12.573 2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.989 -11.731 2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 135 6.182 -14.158 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 135 6.946 -14.337 2.444 1.00 0.00 H new ATOM 738 N LEU A 136 4.249 -9.767 3.006 1.00 0.00 N ATOM 739 CA LEU A 136 3.992 -8.393 2.592 1.00 0.00 C ATOM 740 C LEU A 136 3.935 -7.464 3.799 1.00 0.00 C ATOM 741 O LEU A 136 4.563 -6.405 3.811 1.00 0.00 O ATOM 742 CB LEU A 136 2.678 -8.315 1.810 1.00 0.00 C ATOM 743 CG LEU A 136 2.221 -6.900 1.446 1.00 0.00 C ATOM 744 CD1 LEU A 136 3.386 -6.091 0.901 1.00 0.00 C ATOM 745 CD2 LEU A 136 1.084 -6.950 0.438 1.00 0.00 C ATOM 0 H LEU A 136 3.485 -10.415 2.812 1.00 0.00 H new ATOM 0 HA LEU A 136 4.811 -8.072 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.785 -8.893 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 136 1.895 -8.793 2.398 1.00 0.00 H new ATOM 0 HG LEU A 136 1.855 -6.411 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.045 -5.087 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.170 -6.028 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.780 -6.577 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.772 -5.935 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 136 1.422 -7.456 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.242 -7.494 0.866 1.00 0.00 H new ATOM 757 N MET A 137 3.175 -7.871 4.811 1.00 0.00 N ATOM 758 CA MET A 137 3.020 -7.086 6.035 1.00 0.00 C ATOM 759 C MET A 137 4.353 -6.500 6.493 1.00 0.00 C ATOM 760 O MET A 137 4.398 -5.416 7.074 1.00 0.00 O ATOM 761 CB MET A 137 2.427 -7.952 7.148 1.00 0.00 C ATOM 762 CG MET A 137 1.784 -7.148 8.267 1.00 0.00 C ATOM 763 SD MET A 137 2.193 -7.782 9.905 1.00 0.00 S ATOM 764 CE MET A 137 1.456 -6.526 10.947 1.00 0.00 C ATOM 0 H MET A 137 2.652 -8.747 4.808 1.00 0.00 H new ATOM 0 HA MET A 137 2.341 -6.261 5.816 1.00 0.00 H new ATOM 0 HB2 MET A 137 1.682 -8.621 6.718 1.00 0.00 H new ATOM 0 HB3 MET A 137 3.214 -8.579 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 137 2.106 -6.109 8.193 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.702 -7.156 8.139 1.00 0.00 H new ATOM 0 HE1 MET A 137 2.243 -5.935 11.416 1.00 0.00 H new ATOM 0 HE2 MET A 137 0.825 -5.875 10.342 1.00 0.00 H new ATOM 0 HE3 MET A 137 0.851 -7.002 11.718 1.00 0.00 H new ATOM 774 N LYS A 138 5.437 -7.222 6.222 1.00 0.00 N ATOM 775 CA LYS A 138 6.772 -6.769 6.602 1.00 0.00 C ATOM 776 C LYS A 138 6.996 -5.322 6.170 1.00 0.00 C ATOM 777 O LYS A 138 7.751 -4.583 6.802 1.00 0.00 O ATOM 778 CB LYS A 138 7.838 -7.673 5.979 1.00 0.00 C ATOM 779 CG LYS A 138 8.957 -8.044 6.937 1.00 0.00 C ATOM 780 CD LYS A 138 10.135 -7.092 6.814 1.00 0.00 C ATOM 781 CE LYS A 138 11.338 -7.591 7.598 1.00 0.00 C ATOM 782 NZ LYS A 138 11.947 -8.799 6.975 1.00 0.00 N ATOM 0 H LYS A 138 5.417 -8.122 5.742 1.00 0.00 H new ATOM 0 HA LYS A 138 6.853 -6.822 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 138 7.363 -8.585 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.266 -7.171 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 138 8.581 -8.029 7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 138 9.288 -9.062 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.405 -6.979 5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.846 -6.105 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 138 12.085 -6.799 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.035 -7.823 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 12.893 -8.958 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.347 -9.627 7.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.027 -8.657 5.948 1.00 0.00 H new ATOM 796 N ASP A 139 6.328 -4.924 5.091 1.00 0.00 N ATOM 797 CA ASP A 139 6.446 -3.566 4.575 1.00 0.00 C ATOM 798 C ASP A 139 5.591 -2.603 5.394 1.00 0.00 C ATOM 799 O ASP A 139 5.998 -1.474 5.668 1.00 0.00 O ATOM 800 CB ASP A 139 6.028 -3.519 3.103 1.00 0.00 C ATOM 801 CG ASP A 139 7.098 -2.910 2.218 1.00 0.00 C ATOM 802 OD1 ASP A 139 7.474 -1.743 2.457 1.00 0.00 O ATOM 803 OD2 ASP A 139 7.561 -3.601 1.285 1.00 0.00 O ATOM 0 H ASP A 139 5.699 -5.524 4.557 1.00 0.00 H new ATOM 0 HA ASP A 139 7.488 -3.258 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 139 5.807 -4.529 2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.109 -2.941 3.007 1.00 0.00 H new ATOM 808 N GLY A 140 4.404 -3.059 5.784 1.00 0.00 N ATOM 809 CA GLY A 140 3.511 -2.229 6.570 1.00 0.00 C ATOM 810 C GLY A 140 3.981 -2.077 8.003 1.00 0.00 C ATOM 811 O GLY A 140 4.036 -0.968 8.532 1.00 0.00 O ATOM 0 H GLY A 140 4.045 -3.989 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.433 -1.244 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.512 -2.665 6.562 1.00 0.00 H new ATOM 815 N ASP A 141 4.322 -3.197 8.632 1.00 0.00 N ATOM 816 CA ASP A 141 4.792 -3.185 10.011 1.00 0.00 C ATOM 817 C ASP A 141 6.275 -3.537 10.080 1.00 0.00 C ATOM 818 O ASP A 141 6.712 -4.539 9.514 1.00 0.00 O ATOM 819 CB ASP A 141 3.981 -4.168 10.857 1.00 0.00 C ATOM 820 CG ASP A 141 4.280 -4.038 12.337 1.00 0.00 C ATOM 821 OD1 ASP A 141 3.847 -3.037 12.944 1.00 0.00 O ATOM 822 OD2 ASP A 141 4.946 -4.939 12.889 1.00 0.00 O ATOM 0 H ASP A 141 4.281 -4.124 8.208 1.00 0.00 H new ATOM 0 HA ASP A 141 4.656 -2.179 10.408 1.00 0.00 H new ATOM 0 HB2 ASP A 141 2.918 -3.998 10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 141 4.197 -5.186 10.533 1.00 0.00 H new ATOM 827 N LYS A 142 7.046 -2.705 10.775 1.00 0.00 N ATOM 828 CA LYS A 142 8.481 -2.929 10.912 1.00 0.00 C ATOM 829 C LYS A 142 8.962 -2.551 12.309 1.00 0.00 C ATOM 830 O LYS A 142 10.088 -2.084 12.483 1.00 0.00 O ATOM 831 CB LYS A 142 9.244 -2.119 9.864 1.00 0.00 C ATOM 832 CG LYS A 142 10.476 -2.827 9.325 1.00 0.00 C ATOM 833 CD LYS A 142 11.081 -2.075 8.150 1.00 0.00 C ATOM 834 CE LYS A 142 10.417 -2.461 6.838 1.00 0.00 C ATOM 835 NZ LYS A 142 10.208 -1.283 5.953 1.00 0.00 N ATOM 0 H LYS A 142 6.701 -1.871 11.251 1.00 0.00 H new ATOM 0 HA LYS A 142 8.674 -3.990 10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 142 8.574 -1.892 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.545 -1.167 10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 142 11.218 -2.923 10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 142 10.210 -3.837 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.975 -1.002 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 142 12.149 -2.285 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.033 -3.197 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.457 -2.936 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 9.753 -1.589 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 9.599 -0.591 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.126 -0.845 5.736 1.00 0.00 H new ATOM 849 N ASN A 143 8.103 -2.756 13.301 1.00 0.00 N ATOM 850 CA ASN A 143 8.442 -2.437 14.684 1.00 0.00 C ATOM 851 C ASN A 143 8.283 -3.658 15.588 1.00 0.00 C ATOM 852 O ASN A 143 8.262 -3.533 16.813 1.00 0.00 O ATOM 853 CB ASN A 143 7.563 -1.293 15.193 1.00 0.00 C ATOM 854 CG ASN A 143 7.718 -0.032 14.367 1.00 0.00 C ATOM 855 OD1 ASN A 143 8.738 0.169 13.706 1.00 0.00 O ATOM 856 ND2 ASN A 143 6.705 0.826 14.400 1.00 0.00 N ATOM 0 H ASN A 143 7.167 -3.141 13.174 1.00 0.00 H new ATOM 0 HA ASN A 143 9.487 -2.127 14.711 1.00 0.00 H new ATOM 0 HB2 ASN A 143 6.519 -1.607 15.179 1.00 0.00 H new ATOM 0 HB3 ASN A 143 7.817 -1.078 16.231 1.00 0.00 H new ATOM 0 HD21 ASN A 143 6.753 1.692 13.864 1.00 0.00 H new ATOM 0 HD22 ASN A 143 5.879 0.619 14.961 1.00 0.00 H new ATOM 863 N ASN A 144 8.173 -4.838 14.981 1.00 0.00 N ATOM 864 CA ASN A 144 8.018 -6.076 15.737 1.00 0.00 C ATOM 865 C ASN A 144 6.829 -5.995 16.690 1.00 0.00 C ATOM 866 O ASN A 144 6.810 -6.651 17.732 1.00 0.00 O ATOM 867 CB ASN A 144 9.296 -6.377 16.522 1.00 0.00 C ATOM 868 CG ASN A 144 9.604 -7.860 16.578 1.00 0.00 C ATOM 869 OD1 ASN A 144 8.914 -8.673 15.962 1.00 0.00 O ATOM 870 ND2 ASN A 144 10.645 -8.221 17.320 1.00 0.00 N ATOM 0 H ASN A 144 8.188 -4.961 13.969 1.00 0.00 H new ATOM 0 HA ASN A 144 7.832 -6.883 15.028 1.00 0.00 H new ATOM 0 HB2 ASN A 144 10.133 -5.852 16.063 1.00 0.00 H new ATOM 0 HB3 ASN A 144 9.195 -5.991 17.536 1.00 0.00 H new ATOM 0 HD21 ASN A 144 10.900 -9.206 17.396 1.00 0.00 H new ATOM 0 HD22 ASN A 144 11.189 -7.514 17.814 1.00 0.00 H new ATOM 877 N ASP A 145 5.837 -5.188 16.327 1.00 0.00 N ATOM 878 CA ASP A 145 4.644 -5.024 17.150 1.00 0.00 C ATOM 879 C ASP A 145 3.406 -5.535 16.420 1.00 0.00 C ATOM 880 O ASP A 145 2.517 -6.133 17.027 1.00 0.00 O ATOM 881 CB ASP A 145 4.457 -3.553 17.527 1.00 0.00 C ATOM 882 CG ASP A 145 4.360 -2.654 16.310 1.00 0.00 C ATOM 883 OD1 ASP A 145 4.834 -3.063 15.230 1.00 0.00 O ATOM 884 OD2 ASP A 145 3.808 -1.540 16.438 1.00 0.00 O ATOM 0 H ASP A 145 5.836 -4.637 15.468 1.00 0.00 H new ATOM 0 HA ASP A 145 4.776 -5.611 18.059 1.00 0.00 H new ATOM 0 HB2 ASP A 145 3.554 -3.446 18.127 1.00 0.00 H new ATOM 0 HB3 ASP A 145 5.293 -3.231 18.148 1.00 0.00 H new ATOM 889 N GLY A 146 3.356 -5.296 15.114 1.00 0.00 N ATOM 890 CA GLY A 146 2.224 -5.739 14.321 1.00 0.00 C ATOM 891 C GLY A 146 1.118 -4.703 14.261 1.00 0.00 C ATOM 892 O GLY A 146 -0.053 -5.024 14.461 1.00 0.00 O ATOM 0 H GLY A 146 4.079 -4.803 14.590 1.00 0.00 H new ATOM 0 HA2 GLY A 146 2.560 -5.967 13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 146 1.829 -6.664 14.742 1.00 0.00 H new ATOM 896 N ARG A 147 1.491 -3.458 13.985 1.00 0.00 N ATOM 897 CA ARG A 147 0.520 -2.372 13.900 1.00 0.00 C ATOM 898 C ARG A 147 0.959 -1.324 12.881 1.00 0.00 C ATOM 899 O ARG A 147 1.931 -0.600 13.100 1.00 0.00 O ATOM 900 CB ARG A 147 0.332 -1.721 15.272 1.00 0.00 C ATOM 901 CG ARG A 147 -0.828 -2.300 16.066 1.00 0.00 C ATOM 902 CD ARG A 147 -0.357 -3.358 17.050 1.00 0.00 C ATOM 903 NE ARG A 147 -1.470 -3.969 17.772 1.00 0.00 N ATOM 904 CZ ARG A 147 -2.083 -3.400 18.808 1.00 0.00 C ATOM 905 NH1 ARG A 147 -1.697 -2.208 19.244 1.00 0.00 N ATOM 906 NH2 ARG A 147 -3.087 -4.025 19.408 1.00 0.00 N ATOM 0 H ARG A 147 2.457 -3.176 13.817 1.00 0.00 H new ATOM 0 HA ARG A 147 -0.430 -2.793 13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.250 -1.837 15.849 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.172 -0.651 15.138 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.336 -1.501 16.605 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.556 -2.736 15.382 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.195 -4.130 16.515 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.334 -2.908 17.763 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.797 -4.885 17.465 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.927 -1.722 18.785 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.171 -1.777 20.038 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -3.389 -4.941 19.076 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -3.557 -3.590 20.202 1.00 0.00 H new ATOM 920 N ILE A 148 0.235 -1.249 11.769 1.00 0.00 N ATOM 921 CA ILE A 148 0.543 -0.291 10.716 1.00 0.00 C ATOM 922 C ILE A 148 -0.597 0.711 10.557 1.00 0.00 C ATOM 923 O ILE A 148 -1.697 0.351 10.140 1.00 0.00 O ATOM 924 CB ILE A 148 0.814 -1.020 9.381 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.385 -0.060 8.338 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.442 -1.693 8.860 1.00 0.00 C ATOM 927 CD1 ILE A 148 0.398 0.980 7.865 1.00 0.00 C ATOM 0 H ILE A 148 -0.571 -1.843 11.575 1.00 0.00 H new ATOM 0 HA ILE A 148 1.444 0.253 10.998 1.00 0.00 H new ATOM 0 HB ILE A 148 1.557 -1.794 9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.256 0.443 8.758 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.733 -0.635 7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -0.221 -2.198 7.920 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -0.793 -2.423 9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -1.215 -0.943 8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.875 1.625 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.463 0.486 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.069 1.581 8.713 1.00 0.00 H new ATOM 939 N ASP A 149 -0.334 1.970 10.907 1.00 0.00 N ATOM 940 CA ASP A 149 -1.352 3.012 10.815 1.00 0.00 C ATOM 941 C ASP A 149 -0.785 4.326 10.282 1.00 0.00 C ATOM 942 O ASP A 149 0.006 4.990 10.952 1.00 0.00 O ATOM 943 CB ASP A 149 -1.987 3.251 12.187 1.00 0.00 C ATOM 944 CG ASP A 149 -0.953 3.377 13.289 1.00 0.00 C ATOM 945 OD1 ASP A 149 -0.162 2.428 13.473 1.00 0.00 O ATOM 946 OD2 ASP A 149 -0.935 4.425 13.969 1.00 0.00 O ATOM 0 H ASP A 149 0.570 2.290 11.255 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.107 2.663 10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -2.589 4.159 12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -2.663 2.428 12.420 1.00 0.00 H new ATOM 951 N TYR A 150 -1.223 4.703 9.083 1.00 0.00 N ATOM 952 CA TYR A 150 -0.801 5.950 8.445 1.00 0.00 C ATOM 953 C TYR A 150 0.722 6.097 8.389 1.00 0.00 C ATOM 954 O TYR A 150 1.336 5.845 7.352 1.00 0.00 O ATOM 955 CB TYR A 150 -1.418 7.149 9.178 1.00 0.00 C ATOM 956 CG TYR A 150 -2.280 8.030 8.299 1.00 0.00 C ATOM 957 CD1 TYR A 150 -1.990 8.203 6.950 1.00 0.00 C ATOM 958 CD2 TYR A 150 -3.383 8.693 8.822 1.00 0.00 C ATOM 959 CE1 TYR A 150 -2.774 9.011 6.150 1.00 0.00 C ATOM 960 CE2 TYR A 150 -4.173 9.502 8.028 1.00 0.00 C ATOM 961 CZ TYR A 150 -3.864 9.658 6.693 1.00 0.00 C ATOM 962 OH TYR A 150 -4.647 10.465 5.901 1.00 0.00 O ATOM 0 H TYR A 150 -1.879 4.155 8.527 1.00 0.00 H new ATOM 0 HA TYR A 150 -1.158 5.921 7.416 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -2.020 6.783 10.010 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.617 7.752 9.605 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -1.138 7.697 6.521 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -3.627 8.574 9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -2.535 9.135 5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -5.028 10.009 8.450 1.00 0.00 H new ATOM 0 HH TYR A 150 -5.566 10.124 5.893 1.00 0.00 H new ATOM 972 N ASP A 151 1.320 6.530 9.501 1.00 0.00 N ATOM 973 CA ASP A 151 2.767 6.741 9.585 1.00 0.00 C ATOM 974 C ASP A 151 3.549 5.681 8.813 1.00 0.00 C ATOM 975 O ASP A 151 4.386 6.007 7.971 1.00 0.00 O ATOM 976 CB ASP A 151 3.216 6.753 11.048 1.00 0.00 C ATOM 977 CG ASP A 151 2.638 5.598 11.843 1.00 0.00 C ATOM 978 OD1 ASP A 151 3.144 4.466 11.698 1.00 0.00 O ATOM 979 OD2 ASP A 151 1.680 5.827 12.610 1.00 0.00 O ATOM 0 H ASP A 151 0.819 6.743 10.363 1.00 0.00 H new ATOM 0 HA ASP A 151 2.979 7.707 9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 151 4.304 6.711 11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 151 2.915 7.694 11.509 1.00 0.00 H new ATOM 984 N GLU A 152 3.276 4.416 9.104 1.00 0.00 N ATOM 985 CA GLU A 152 3.962 3.320 8.435 1.00 0.00 C ATOM 986 C GLU A 152 3.325 3.020 7.079 1.00 0.00 C ATOM 987 O GLU A 152 3.990 2.528 6.167 1.00 0.00 O ATOM 988 CB GLU A 152 3.945 2.070 9.315 1.00 0.00 C ATOM 989 CG GLU A 152 4.990 2.089 10.418 1.00 0.00 C ATOM 990 CD GLU A 152 4.594 1.239 11.610 1.00 0.00 C ATOM 991 OE1 GLU A 152 4.073 0.123 11.398 1.00 0.00 O ATOM 992 OE2 GLU A 152 4.805 1.688 12.756 1.00 0.00 O ATOM 0 H GLU A 152 2.586 4.125 9.797 1.00 0.00 H new ATOM 0 HA GLU A 152 4.996 3.620 8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 152 2.957 1.965 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 152 4.106 1.193 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.940 1.731 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 152 5.149 3.116 10.746 1.00 0.00 H new ATOM 999 N PHE A 153 2.035 3.319 6.951 1.00 0.00 N ATOM 1000 CA PHE A 153 1.316 3.081 5.704 1.00 0.00 C ATOM 1001 C PHE A 153 1.941 3.867 4.556 1.00 0.00 C ATOM 1002 O PHE A 153 2.201 3.319 3.485 1.00 0.00 O ATOM 1003 CB PHE A 153 -0.161 3.463 5.859 1.00 0.00 C ATOM 1004 CG PHE A 153 -0.882 3.627 4.549 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.710 2.703 3.532 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -1.722 4.706 4.334 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -1.363 2.852 2.325 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -2.378 4.859 3.128 1.00 0.00 C ATOM 1009 CZ PHE A 153 -2.199 3.931 2.122 1.00 0.00 C ATOM 0 H PHE A 153 1.467 3.726 7.694 1.00 0.00 H new ATOM 0 HA PHE A 153 1.385 2.018 5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.666 2.697 6.448 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.230 4.395 6.421 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -0.057 1.856 3.685 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -1.866 5.436 5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -1.220 2.124 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -3.031 5.705 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 153 -2.712 4.049 1.179 1.00 0.00 H new ATOM 1019 N LEU A 154 2.174 5.153 4.782 1.00 0.00 N ATOM 1020 CA LEU A 154 2.761 6.011 3.761 1.00 0.00 C ATOM 1021 C LEU A 154 4.069 5.427 3.228 1.00 0.00 C ATOM 1022 O LEU A 154 4.502 5.759 2.124 1.00 0.00 O ATOM 1023 CB LEU A 154 2.982 7.418 4.323 1.00 0.00 C ATOM 1024 CG LEU A 154 1.773 8.021 5.054 1.00 0.00 C ATOM 1025 CD1 LEU A 154 1.796 9.539 4.966 1.00 0.00 C ATOM 1026 CD2 LEU A 154 0.466 7.479 4.486 1.00 0.00 C ATOM 0 H LEU A 154 1.966 5.625 5.662 1.00 0.00 H new ATOM 0 HA LEU A 154 2.066 6.072 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.827 7.390 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.260 8.081 3.504 1.00 0.00 H new ATOM 0 HG LEU A 154 1.837 7.731 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.932 9.947 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 154 2.710 9.916 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.763 9.843 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.374 7.922 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.397 7.732 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.440 6.396 4.603 1.00 0.00 H new ATOM 1038 N GLU A 155 4.686 4.542 4.008 1.00 0.00 N ATOM 1039 CA GLU A 155 5.931 3.902 3.599 1.00 0.00 C ATOM 1040 C GLU A 155 5.664 2.850 2.521 1.00 0.00 C ATOM 1041 O GLU A 155 6.553 2.505 1.742 1.00 0.00 O ATOM 1042 CB GLU A 155 6.619 3.257 4.805 1.00 0.00 C ATOM 1043 CG GLU A 155 8.014 3.801 5.071 1.00 0.00 C ATOM 1044 CD GLU A 155 9.100 2.773 4.820 1.00 0.00 C ATOM 1045 OE1 GLU A 155 9.141 1.762 5.553 1.00 0.00 O ATOM 1046 OE2 GLU A 155 9.909 2.979 3.891 1.00 0.00 O ATOM 0 H GLU A 155 4.344 4.253 4.925 1.00 0.00 H new ATOM 0 HA GLU A 155 6.590 4.665 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.002 3.412 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 155 6.682 2.181 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 155 8.188 4.670 4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 155 8.075 4.144 6.104 1.00 0.00 H new ATOM 1053 N PHE A 156 4.431 2.347 2.482 1.00 0.00 N ATOM 1054 CA PHE A 156 4.041 1.340 1.500 1.00 0.00 C ATOM 1055 C PHE A 156 4.169 1.890 0.083 1.00 0.00 C ATOM 1056 O PHE A 156 4.912 1.353 -0.739 1.00 0.00 O ATOM 1057 CB PHE A 156 2.599 0.886 1.755 1.00 0.00 C ATOM 1058 CG PHE A 156 2.433 -0.604 1.844 1.00 0.00 C ATOM 1059 CD1 PHE A 156 2.801 -1.289 2.991 1.00 0.00 C ATOM 1060 CD2 PHE A 156 1.899 -1.320 0.783 1.00 0.00 C ATOM 1061 CE1 PHE A 156 2.641 -2.658 3.079 1.00 0.00 C ATOM 1062 CE2 PHE A 156 1.738 -2.689 0.866 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.109 -3.359 2.015 1.00 0.00 C ATOM 0 H PHE A 156 3.685 2.622 3.121 1.00 0.00 H new ATOM 0 HA PHE A 156 4.709 0.485 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.246 1.336 2.683 1.00 0.00 H new ATOM 0 HB3 PHE A 156 1.963 1.265 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.218 -0.746 3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.606 -0.801 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 156 2.932 -3.180 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 156 1.322 -3.235 0.032 1.00 0.00 H new ATOM 0 HZ PHE A 156 1.983 -4.430 2.081 1.00 0.00 H new ATOM 1073 N MET A 157 3.437 2.965 -0.194 1.00 0.00 N ATOM 1074 CA MET A 157 3.465 3.590 -1.511 1.00 0.00 C ATOM 1075 C MET A 157 4.850 4.154 -1.820 1.00 0.00 C ATOM 1076 O MET A 157 5.239 4.267 -2.982 1.00 0.00 O ATOM 1077 CB MET A 157 2.407 4.697 -1.596 1.00 0.00 C ATOM 1078 CG MET A 157 2.842 6.022 -0.988 1.00 0.00 C ATOM 1079 SD MET A 157 3.478 7.175 -2.220 1.00 0.00 S ATOM 1080 CE MET A 157 1.972 7.609 -3.086 1.00 0.00 C ATOM 0 H MET A 157 2.818 3.421 0.476 1.00 0.00 H new ATOM 0 HA MET A 157 3.237 2.827 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 157 2.148 4.858 -2.643 1.00 0.00 H new ATOM 0 HB3 MET A 157 1.502 4.359 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 157 1.996 6.477 -0.473 1.00 0.00 H new ATOM 0 HG3 MET A 157 3.610 5.838 -0.237 1.00 0.00 H new ATOM 0 HE1 MET A 157 2.112 8.556 -3.606 1.00 0.00 H new ATOM 0 HE2 MET A 157 1.731 6.830 -3.809 1.00 0.00 H new ATOM 0 HE3 MET A 157 1.156 7.705 -2.370 1.00 0.00 H new ATOM 1090 N LYS A 158 5.591 4.509 -0.772 1.00 0.00 N ATOM 1091 CA LYS A 158 6.933 5.062 -0.933 1.00 0.00 C ATOM 1092 C LYS A 158 7.774 4.190 -1.861 1.00 0.00 C ATOM 1093 O LYS A 158 8.618 4.692 -2.604 1.00 0.00 O ATOM 1094 CB LYS A 158 7.620 5.196 0.428 1.00 0.00 C ATOM 1095 CG LYS A 158 7.594 6.611 0.985 1.00 0.00 C ATOM 1096 CD LYS A 158 8.914 6.976 1.648 1.00 0.00 C ATOM 1097 CE LYS A 158 9.652 8.054 0.870 1.00 0.00 C ATOM 1098 NZ LYS A 158 9.547 9.385 1.528 1.00 0.00 N ATOM 0 H LYS A 158 5.284 4.423 0.197 1.00 0.00 H new ATOM 0 HA LYS A 158 6.840 6.051 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 158 7.135 4.526 1.138 1.00 0.00 H new ATOM 0 HB3 LYS A 158 8.656 4.869 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 158 7.383 7.316 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 158 6.785 6.703 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 158 8.728 7.323 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 158 9.541 6.088 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.702 7.778 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 158 9.246 8.115 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 10.063 10.092 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 8.547 9.661 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 9.958 9.334 2.482 1.00 0.00 H new ATOM 1112 N GLY A 159 7.534 2.884 -1.818 1.00 0.00 N ATOM 1113 CA GLY A 159 8.273 1.969 -2.666 1.00 0.00 C ATOM 1114 C GLY A 159 8.052 2.252 -4.138 1.00 0.00 C ATOM 1115 O GLY A 159 8.971 2.127 -4.948 1.00 0.00 O ATOM 0 H GLY A 159 6.842 2.444 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 159 9.336 2.043 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 159 7.970 0.946 -2.445 1.00 0.00 H new ATOM 1119 N VAL A 160 6.829 2.642 -4.482 1.00 0.00 N ATOM 1120 CA VAL A 160 6.483 2.953 -5.861 1.00 0.00 C ATOM 1121 C VAL A 160 7.385 4.050 -6.419 1.00 0.00 C ATOM 1122 O VAL A 160 7.624 4.118 -7.624 1.00 0.00 O ATOM 1123 CB VAL A 160 5.013 3.401 -5.973 1.00 0.00 C ATOM 1124 CG1 VAL A 160 4.643 3.681 -7.417 1.00 0.00 C ATOM 1125 CG2 VAL A 160 4.087 2.351 -5.379 1.00 0.00 C ATOM 0 H VAL A 160 6.060 2.750 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 160 6.626 2.043 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 160 4.896 4.325 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 160 3.601 3.996 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 160 5.282 4.472 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 160 4.780 2.777 -8.010 1.00 0.00 H new ATOM 0 HG21 VAL A 160 3.053 2.686 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 160 4.211 1.411 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 160 4.332 2.203 -4.327 1.00 0.00 H new ATOM 1135 N GLU A 161 7.884 4.905 -5.532 1.00 0.00 N ATOM 1136 CA GLU A 161 8.761 5.999 -5.935 1.00 0.00 C ATOM 1137 C GLU A 161 10.151 5.478 -6.289 1.00 0.00 C ATOM 1138 O GLU A 161 11.100 6.290 -6.303 1.00 0.00 O ATOM 1139 CB GLU A 161 8.863 7.038 -4.817 1.00 0.00 C ATOM 1140 CG GLU A 161 7.823 8.142 -4.917 1.00 0.00 C ATOM 1141 CD GLU A 161 8.017 9.221 -3.870 1.00 0.00 C ATOM 1142 OE1 GLU A 161 9.113 9.819 -3.830 1.00 0.00 O ATOM 1143 OE2 GLU A 161 7.073 9.468 -3.091 1.00 0.00 O ATOM 1144 OXT GLU A 161 10.278 4.264 -6.550 1.00 0.00 O ATOM 0 H GLU A 161 7.696 4.862 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 161 8.331 6.469 -6.820 1.00 0.00 H new ATOM 0 HB2 GLU A 161 8.757 6.536 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 161 9.857 7.484 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 161 7.869 8.591 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.828 7.710 -4.809 1.00 0.00 H new ATOM 1226 N PHE B 132 3.110 -6.564 -6.710 1.00 0.00 N ATOM 1227 CA PHE B 132 2.141 -6.757 -7.782 1.00 0.00 C ATOM 1228 C PHE B 132 1.281 -5.503 -8.014 1.00 0.00 C ATOM 1229 O PHE B 132 1.797 -4.472 -8.444 1.00 0.00 O ATOM 1230 CB PHE B 132 1.279 -7.998 -7.497 1.00 0.00 C ATOM 1231 CG PHE B 132 1.154 -8.345 -6.038 1.00 0.00 C ATOM 1232 CD1 PHE B 132 2.141 -9.083 -5.403 1.00 0.00 C ATOM 1233 CD2 PHE B 132 0.048 -7.948 -5.307 1.00 0.00 C ATOM 1234 CE1 PHE B 132 2.028 -9.415 -4.067 1.00 0.00 C ATOM 1235 CE2 PHE B 132 -0.072 -8.279 -3.970 1.00 0.00 C ATOM 1236 CZ PHE B 132 0.920 -9.013 -3.349 1.00 0.00 C ATOM 0 HA PHE B 132 2.689 -6.926 -8.709 1.00 0.00 H new ATOM 0 HB2 PHE B 132 0.282 -7.835 -7.906 1.00 0.00 H new ATOM 0 HB3 PHE B 132 1.705 -8.851 -8.026 1.00 0.00 H new ATOM 0 HD1 PHE B 132 3.009 -9.402 -5.960 1.00 0.00 H new ATOM 0 HD2 PHE B 132 -0.730 -7.373 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE B 132 2.806 -9.989 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE B 132 -0.941 -7.964 -3.411 1.00 0.00 H new ATOM 0 HZ PHE B 132 0.829 -9.272 -2.304 1.00 0.00 H new ATOM 1246 N ASP B 133 -0.027 -5.587 -7.748 1.00 0.00 N ATOM 1247 CA ASP B 133 -0.925 -4.454 -7.954 1.00 0.00 C ATOM 1248 C ASP B 133 -0.649 -3.325 -6.965 1.00 0.00 C ATOM 1249 O ASP B 133 -1.186 -2.225 -7.103 1.00 0.00 O ATOM 1250 CB ASP B 133 -2.381 -4.906 -7.830 1.00 0.00 C ATOM 1251 CG ASP B 133 -3.292 -4.197 -8.813 1.00 0.00 C ATOM 1252 OD1 ASP B 133 -3.317 -2.948 -8.805 1.00 0.00 O ATOM 1253 OD2 ASP B 133 -3.981 -4.890 -9.590 1.00 0.00 O ATOM 0 H ASP B 133 -0.483 -6.427 -7.391 1.00 0.00 H new ATOM 0 HA ASP B 133 -0.745 -4.071 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP B 133 -2.440 -5.982 -7.995 1.00 0.00 H new ATOM 0 HB3 ASP B 133 -2.731 -4.720 -6.815 1.00 0.00 H new ATOM 1258 N LEU B 134 0.187 -3.597 -5.971 1.00 0.00 N ATOM 1259 CA LEU B 134 0.526 -2.598 -4.968 1.00 0.00 C ATOM 1260 C LEU B 134 1.299 -1.448 -5.603 1.00 0.00 C ATOM 1261 O LEU B 134 1.076 -0.281 -5.284 1.00 0.00 O ATOM 1262 CB LEU B 134 1.357 -3.232 -3.853 1.00 0.00 C ATOM 1263 CG LEU B 134 0.601 -4.198 -2.938 1.00 0.00 C ATOM 1264 CD1 LEU B 134 -0.057 -5.306 -3.749 1.00 0.00 C ATOM 1265 CD2 LEU B 134 1.543 -4.792 -1.903 1.00 0.00 C ATOM 0 H LEU B 134 0.642 -4.500 -5.839 1.00 0.00 H new ATOM 0 HA LEU B 134 -0.398 -2.206 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU B 134 2.193 -3.766 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU B 134 1.781 -2.436 -3.241 1.00 0.00 H new ATOM 0 HG LEU B 134 -0.180 -3.640 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -0.589 -5.981 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -0.761 -4.869 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU B 134 0.707 -5.862 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU B 134 0.991 -5.477 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU B 134 2.343 -5.333 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU B 134 1.971 -3.992 -1.299 1.00 0.00 H new ATOM 1277 N ARG B 135 2.206 -1.795 -6.509 1.00 0.00 N ATOM 1278 CA ARG B 135 3.020 -0.802 -7.205 1.00 0.00 C ATOM 1279 C ARG B 135 2.574 -0.670 -8.658 1.00 0.00 C ATOM 1280 O ARG B 135 1.623 -1.323 -9.089 1.00 0.00 O ATOM 1281 CB ARG B 135 4.499 -1.203 -7.155 1.00 0.00 C ATOM 1282 CG ARG B 135 5.466 -0.029 -7.183 1.00 0.00 C ATOM 1283 CD ARG B 135 6.894 -0.489 -7.435 1.00 0.00 C ATOM 1284 NE ARG B 135 7.545 0.296 -8.481 1.00 0.00 N ATOM 1285 CZ ARG B 135 8.633 -0.100 -9.137 1.00 0.00 C ATOM 1286 NH1 ARG B 135 9.195 -1.270 -8.858 1.00 0.00 N ATOM 1287 NH2 ARG B 135 9.161 0.675 -10.074 1.00 0.00 N ATOM 0 H ARG B 135 2.397 -2.759 -6.780 1.00 0.00 H new ATOM 0 HA ARG B 135 2.891 0.159 -6.707 1.00 0.00 H new ATOM 0 HB2 ARG B 135 4.676 -1.783 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG B 135 4.715 -1.857 -8.000 1.00 0.00 H new ATOM 0 HG2 ARG B 135 5.166 0.672 -7.961 1.00 0.00 H new ATOM 0 HG3 ARG B 135 5.417 0.507 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG B 135 7.468 -0.410 -6.512 1.00 0.00 H new ATOM 0 HD3 ARG B 135 6.891 -1.541 -7.720 1.00 0.00 H new ATOM 0 HE ARG B 135 7.142 1.201 -8.723 1.00 0.00 H new ATOM 0 HH11 ARG B 135 8.793 -1.870 -8.138 1.00 0.00 H new ATOM 0 HH12 ARG B 135 10.029 -1.569 -9.364 1.00 0.00 H new ATOM 0 HH21 ARG B 135 8.733 1.575 -10.292 1.00 0.00 H new ATOM 0 HH22 ARG B 135 9.995 0.371 -10.577 1.00 0.00 H new ATOM 1301 N GLY B 136 3.268 0.177 -9.406 1.00 0.00 N ATOM 1302 CA GLY B 136 2.941 0.385 -10.800 1.00 0.00 C ATOM 1303 C GLY B 136 1.625 1.114 -10.985 1.00 0.00 C ATOM 1304 O GLY B 136 1.036 1.094 -12.066 1.00 0.00 O ATOM 0 H GLY B 136 4.057 0.727 -9.067 1.00 0.00 H new ATOM 0 HA2 GLY B 136 3.739 0.956 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY B 136 2.893 -0.579 -11.306 1.00 0.00 H new ATOM 1308 N LYS B 137 1.174 1.763 -9.922 1.00 0.00 N ATOM 1309 CA LYS B 137 -0.071 2.518 -9.936 1.00 0.00 C ATOM 1310 C LYS B 137 -0.039 3.570 -8.837 1.00 0.00 C ATOM 1311 O LYS B 137 -0.497 4.698 -9.018 1.00 0.00 O ATOM 1312 CB LYS B 137 -1.268 1.586 -9.738 1.00 0.00 C ATOM 1313 CG LYS B 137 -1.632 0.789 -10.980 1.00 0.00 C ATOM 1314 CD LYS B 137 -1.924 1.701 -12.161 1.00 0.00 C ATOM 1315 CE LYS B 137 -3.110 1.201 -12.971 1.00 0.00 C ATOM 1316 NZ LYS B 137 -3.369 2.056 -14.162 1.00 0.00 N ATOM 0 H LYS B 137 1.660 1.781 -9.026 1.00 0.00 H new ATOM 0 HA LYS B 137 -0.176 3.008 -10.904 1.00 0.00 H new ATOM 0 HB2 LYS B 137 -1.049 0.895 -8.924 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -2.131 2.177 -9.430 1.00 0.00 H new ATOM 0 HG2 LYS B 137 -0.814 0.114 -11.233 1.00 0.00 H new ATOM 0 HG3 LYS B 137 -2.504 0.169 -10.773 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -2.127 2.710 -11.802 1.00 0.00 H new ATOM 0 HD3 LYS B 137 -1.044 1.762 -12.802 1.00 0.00 H new ATOM 0 HE2 LYS B 137 -2.924 0.177 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS B 137 -3.998 1.180 -12.339 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 -4.185 1.682 -14.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -3.572 3.028 -13.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 -2.531 2.056 -14.778 1.00 0.00 H new ATOM 1330 N PHE B 138 0.527 3.184 -7.699 1.00 0.00 N ATOM 1331 CA PHE B 138 0.657 4.071 -6.555 1.00 0.00 C ATOM 1332 C PHE B 138 1.719 5.136 -6.823 1.00 0.00 C ATOM 1333 O PHE B 138 2.727 5.211 -6.121 1.00 0.00 O ATOM 1334 CB PHE B 138 1.035 3.251 -5.320 1.00 0.00 C ATOM 1335 CG PHE B 138 -0.145 2.805 -4.508 1.00 0.00 C ATOM 1336 CD1 PHE B 138 -0.985 1.812 -4.979 1.00 0.00 C ATOM 1337 CD2 PHE B 138 -0.410 3.376 -3.274 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -2.072 1.394 -4.236 1.00 0.00 C ATOM 1339 CE2 PHE B 138 -1.495 2.963 -2.525 1.00 0.00 C ATOM 1340 CZ PHE B 138 -2.327 1.970 -3.006 1.00 0.00 C ATOM 0 H PHE B 138 0.907 2.250 -7.546 1.00 0.00 H new ATOM 0 HA PHE B 138 -0.295 4.572 -6.382 1.00 0.00 H new ATOM 0 HB2 PHE B 138 1.600 2.374 -5.636 1.00 0.00 H new ATOM 0 HB3 PHE B 138 1.696 3.845 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE B 138 -0.789 1.358 -5.939 1.00 0.00 H new ATOM 0 HD2 PHE B 138 0.238 4.152 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -2.721 0.619 -4.616 1.00 0.00 H new ATOM 0 HE2 PHE B 138 -1.693 3.416 -1.565 1.00 0.00 H new ATOM 0 HZ PHE B 138 -3.175 1.645 -2.422 1.00 0.00 H new