USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 479 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 141 SER OG : rot 122:sc= -1.03 USER MOD Set 1.2: A 157 MET CE :methyl -108:sc= -4.01! (180deg=-4.88!) USER MOD Single : A 100 ASN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : A 101 CYS SG : rot 91:sc= 0.876 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -2.22! C(o=-2.2!,f=-9.9!) USER MOD Single : A 125 THR OG1 : rot -103:sc= 0.805 USER MOD Single : A 128 HIS : no HD1:sc= -0.0742 X(o=-0.074,f=0) USER MOD Single : A 138 MET CE :methyl -153:sc= -5.74! (180deg=-7.15!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.401) USER MOD Single : A 144 ASN : amide:sc= -1.89! C(o=-1.9!,f=-6.2!) USER MOD Single : A 145 ASN : amide:sc= -1.67! C(o=-1.7!,f=-7.7!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl 170:sc= -3.9! (180deg=-4.28!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 57.918 14.389 2.401 1.00 0.00 N ATOM 116 CA GLU A 96 56.578 14.531 3.040 1.00 0.00 C ATOM 117 C GLU A 96 55.604 13.496 2.467 1.00 0.00 C ATOM 118 O GLU A 96 55.019 12.713 3.189 1.00 0.00 O ATOM 119 CB GLU A 96 56.121 15.947 2.686 1.00 0.00 C ATOM 120 CG GLU A 96 56.868 16.958 3.558 1.00 0.00 C ATOM 121 CD GLU A 96 55.891 17.603 4.544 1.00 0.00 C ATOM 122 OE1 GLU A 96 55.714 17.052 5.618 1.00 0.00 O ATOM 123 OE2 GLU A 96 55.337 18.637 4.208 1.00 0.00 O ATOM 0 HA GLU A 96 56.615 14.369 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 96 56.312 16.149 1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 96 55.046 16.043 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 96 57.673 16.462 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 96 57.328 17.723 2.933 1.00 0.00 H new ATOM 130 N GLU A 97 55.425 13.490 1.174 1.00 0.00 N ATOM 131 CA GLU A 97 54.487 12.510 0.551 1.00 0.00 C ATOM 132 C GLU A 97 54.902 11.077 0.897 1.00 0.00 C ATOM 133 O GLU A 97 54.075 10.195 1.017 1.00 0.00 O ATOM 134 CB GLU A 97 54.605 12.750 -0.954 1.00 0.00 C ATOM 135 CG GLU A 97 53.957 14.089 -1.310 1.00 0.00 C ATOM 136 CD GLU A 97 52.436 13.966 -1.201 1.00 0.00 C ATOM 137 OE1 GLU A 97 51.972 12.896 -0.841 1.00 0.00 O ATOM 138 OE2 GLU A 97 51.760 14.943 -1.478 1.00 0.00 O ATOM 0 H GLU A 97 55.888 14.122 0.521 1.00 0.00 H new ATOM 0 HA GLU A 97 53.465 12.638 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 97 55.654 12.751 -1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 97 54.119 11.942 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 97 54.318 14.869 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.237 14.383 -2.322 1.00 0.00 H new ATOM 145 N LEU A 98 56.175 10.836 1.051 1.00 0.00 N ATOM 146 CA LEU A 98 56.635 9.456 1.382 1.00 0.00 C ATOM 147 C LEU A 98 56.446 9.171 2.875 1.00 0.00 C ATOM 148 O LEU A 98 55.872 8.171 3.256 1.00 0.00 O ATOM 149 CB LEU A 98 58.118 9.434 1.010 1.00 0.00 C ATOM 150 CG LEU A 98 58.286 8.789 -0.367 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.407 9.496 -1.131 1.00 0.00 C ATOM 152 CD2 LEU A 98 58.638 7.310 -0.196 1.00 0.00 C ATOM 0 H LEU A 98 56.915 11.532 0.962 1.00 0.00 H new ATOM 0 HA LEU A 98 56.069 8.694 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.517 10.448 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.683 8.876 1.757 1.00 0.00 H new ATOM 0 HG LEU A 98 57.355 8.880 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.526 9.035 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.156 10.550 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.339 9.407 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 98 58.758 6.849 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 98 59.569 7.220 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 98 57.838 6.806 0.347 1.00 0.00 H new ATOM 164 N ALA A 99 56.924 10.039 3.723 1.00 0.00 N ATOM 165 CA ALA A 99 56.769 9.809 5.189 1.00 0.00 C ATOM 166 C ALA A 99 55.310 9.472 5.519 1.00 0.00 C ATOM 167 O ALA A 99 55.028 8.536 6.240 1.00 0.00 O ATOM 168 CB ALA A 99 57.177 11.129 5.845 1.00 0.00 C ATOM 0 H ALA A 99 57.414 10.896 3.466 1.00 0.00 H new ATOM 0 HA ALA A 99 57.376 8.976 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 99 57.089 11.040 6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.209 11.362 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 99 56.524 11.927 5.493 1.00 0.00 H new ATOM 174 N ASN A 100 54.385 10.230 4.997 1.00 0.00 N ATOM 175 CA ASN A 100 52.945 9.957 5.281 1.00 0.00 C ATOM 176 C ASN A 100 52.523 8.617 4.668 1.00 0.00 C ATOM 177 O ASN A 100 51.681 7.918 5.198 1.00 0.00 O ATOM 178 CB ASN A 100 52.188 11.107 4.616 1.00 0.00 C ATOM 179 CG ASN A 100 52.285 12.358 5.490 1.00 0.00 C ATOM 180 OD1 ASN A 100 51.327 12.738 6.135 1.00 0.00 O ATOM 181 ND2 ASN A 100 53.408 13.021 5.540 1.00 0.00 N ATOM 0 H ASN A 100 54.563 11.027 4.386 1.00 0.00 H new ATOM 0 HA ASN A 100 52.743 9.894 6.350 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.605 11.307 3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.143 10.832 4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 100 53.481 13.857 6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 100 54.212 12.703 4.999 1.00 0.00 H new ATOM 188 N CYS A 101 53.094 8.260 3.551 1.00 0.00 N ATOM 189 CA CYS A 101 52.717 6.974 2.895 1.00 0.00 C ATOM 190 C CYS A 101 53.115 5.779 3.769 1.00 0.00 C ATOM 191 O CYS A 101 52.576 4.699 3.636 1.00 0.00 O ATOM 192 CB CYS A 101 53.501 6.959 1.583 1.00 0.00 C ATOM 193 SG CYS A 101 52.608 7.921 0.336 1.00 0.00 S ATOM 0 H CYS A 101 53.806 8.803 3.063 1.00 0.00 H new ATOM 0 HA CYS A 101 51.641 6.898 2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.496 7.377 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 101 53.636 5.934 1.239 1.00 0.00 H new ATOM 0 HG CYS A 101 53.010 9.157 0.371 1.00 0.00 H new ATOM 199 N PHE A 102 54.054 5.957 4.656 1.00 0.00 N ATOM 200 CA PHE A 102 54.478 4.821 5.523 1.00 0.00 C ATOM 201 C PHE A 102 53.256 4.141 6.147 1.00 0.00 C ATOM 202 O PHE A 102 52.961 2.996 5.868 1.00 0.00 O ATOM 203 CB PHE A 102 55.350 5.446 6.609 1.00 0.00 C ATOM 204 CG PHE A 102 55.960 4.348 7.447 1.00 0.00 C ATOM 205 CD1 PHE A 102 57.041 3.608 6.951 1.00 0.00 C ATOM 206 CD2 PHE A 102 55.445 4.068 8.718 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.604 2.587 7.725 1.00 0.00 C ATOM 208 CE2 PHE A 102 56.009 3.046 9.492 1.00 0.00 C ATOM 209 CZ PHE A 102 57.089 2.307 8.997 1.00 0.00 C ATOM 0 H PHE A 102 54.545 6.836 4.818 1.00 0.00 H new ATOM 0 HA PHE A 102 55.014 4.058 4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.134 6.054 6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 102 54.753 6.109 7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.440 3.825 5.971 1.00 0.00 H new ATOM 0 HD2 PHE A 102 54.613 4.640 9.102 1.00 0.00 H new ATOM 0 HE1 PHE A 102 58.436 2.015 7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 102 55.610 2.828 10.472 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.525 1.521 9.595 1.00 0.00 H new ATOM 219 N ARG A 103 52.547 4.836 6.994 1.00 0.00 N ATOM 220 CA ARG A 103 51.348 4.226 7.640 1.00 0.00 C ATOM 221 C ARG A 103 50.471 3.533 6.593 1.00 0.00 C ATOM 222 O ARG A 103 49.826 2.540 6.870 1.00 0.00 O ATOM 223 CB ARG A 103 50.602 5.398 8.276 1.00 0.00 C ATOM 224 CG ARG A 103 50.064 4.979 9.645 1.00 0.00 C ATOM 225 CD ARG A 103 48.565 4.689 9.540 1.00 0.00 C ATOM 226 NE ARG A 103 47.923 5.654 10.474 1.00 0.00 N ATOM 227 CZ ARG A 103 47.024 6.490 10.034 1.00 0.00 C ATOM 228 NH1 ARG A 103 47.222 7.131 8.914 1.00 0.00 N ATOM 229 NH2 ARG A 103 45.928 6.689 10.713 1.00 0.00 N ATOM 0 H ARG A 103 52.745 5.799 7.267 1.00 0.00 H new ATOM 0 HA ARG A 103 51.618 3.467 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 103 51.270 6.253 8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.781 5.713 7.632 1.00 0.00 H new ATOM 0 HG2 ARG A 103 50.592 4.094 9.999 1.00 0.00 H new ATOM 0 HG3 ARG A 103 50.242 5.769 10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 103 48.206 4.828 8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 103 48.341 3.660 9.820 1.00 0.00 H new ATOM 0 HE ARG A 103 48.187 5.661 11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.080 6.978 8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 103 46.519 7.785 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 103 45.773 6.190 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 103 45.226 7.343 10.368 1.00 0.00 H new ATOM 243 N ILE A 104 50.440 4.044 5.393 1.00 0.00 N ATOM 244 CA ILE A 104 49.603 3.409 4.337 1.00 0.00 C ATOM 245 C ILE A 104 50.178 2.042 3.951 1.00 0.00 C ATOM 246 O ILE A 104 49.462 1.069 3.833 1.00 0.00 O ATOM 247 CB ILE A 104 49.663 4.372 3.153 1.00 0.00 C ATOM 248 CG1 ILE A 104 49.203 5.761 3.603 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.745 3.870 2.040 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.782 5.671 4.160 1.00 0.00 C ATOM 0 H ILE A 104 50.957 4.872 5.099 1.00 0.00 H new ATOM 0 HA ILE A 104 48.580 3.236 4.670 1.00 0.00 H new ATOM 0 HB ILE A 104 50.687 4.428 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.879 6.151 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.233 6.456 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.788 4.557 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.070 2.880 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.721 3.814 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.454 6.660 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.111 5.299 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.767 4.990 5.011 1.00 0.00 H new ATOM 262 N PHE A 105 51.467 1.961 3.755 1.00 0.00 N ATOM 263 CA PHE A 105 52.083 0.656 3.377 1.00 0.00 C ATOM 264 C PHE A 105 51.985 -0.333 4.541 1.00 0.00 C ATOM 265 O PHE A 105 51.994 -1.533 4.353 1.00 0.00 O ATOM 266 CB PHE A 105 53.543 0.983 3.069 1.00 0.00 C ATOM 267 CG PHE A 105 53.630 1.683 1.734 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.955 1.160 0.624 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.385 2.855 1.605 1.00 0.00 C ATOM 270 CE1 PHE A 105 53.034 1.809 -0.614 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.464 3.505 0.368 1.00 0.00 C ATOM 272 CZ PHE A 105 53.790 2.981 -0.742 1.00 0.00 C ATOM 0 H PHE A 105 52.119 2.741 3.840 1.00 0.00 H new ATOM 0 HA PHE A 105 51.582 0.193 2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.958 1.617 3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 105 54.136 0.069 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 105 52.373 0.256 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.907 3.258 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 105 52.512 1.406 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.045 4.410 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.853 3.481 -1.697 1.00 0.00 H new ATOM 282 N ASP A 106 51.891 0.163 5.746 1.00 0.00 N ATOM 283 CA ASP A 106 51.790 -0.746 6.923 1.00 0.00 C ATOM 284 C ASP A 106 50.322 -1.057 7.225 1.00 0.00 C ATOM 285 O ASP A 106 49.698 -0.416 8.047 1.00 0.00 O ATOM 286 CB ASP A 106 52.422 0.031 8.078 1.00 0.00 C ATOM 287 CG ASP A 106 52.819 -0.941 9.192 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.290 -2.041 9.208 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.642 -0.568 10.011 1.00 0.00 O ATOM 0 H ASP A 106 51.880 1.159 5.965 1.00 0.00 H new ATOM 0 HA ASP A 106 52.288 -1.700 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.298 0.576 7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 106 51.719 0.771 8.460 1.00 0.00 H new ATOM 294 N LYS A 107 49.767 -2.034 6.564 1.00 0.00 N ATOM 295 CA LYS A 107 48.339 -2.386 6.808 1.00 0.00 C ATOM 296 C LYS A 107 48.167 -2.967 8.215 1.00 0.00 C ATOM 297 O LYS A 107 47.142 -2.798 8.844 1.00 0.00 O ATOM 298 CB LYS A 107 48.004 -3.437 5.749 1.00 0.00 C ATOM 299 CG LYS A 107 46.827 -2.952 4.901 1.00 0.00 C ATOM 300 CD LYS A 107 46.621 -3.900 3.718 1.00 0.00 C ATOM 301 CE LYS A 107 47.604 -3.545 2.599 1.00 0.00 C ATOM 302 NZ LYS A 107 46.764 -3.412 1.374 1.00 0.00 N ATOM 0 H LYS A 107 50.241 -2.605 5.864 1.00 0.00 H new ATOM 0 HA LYS A 107 47.684 -1.517 6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.872 -3.619 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.755 -4.384 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 107 45.922 -2.909 5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 107 47.018 -1.941 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.772 -4.932 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 107 45.597 -3.826 3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 107 48.132 -2.617 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 107 48.360 -4.321 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 47.368 -3.169 0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 46.279 -4.312 1.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.058 -2.661 1.517 1.00 0.00 H new ATOM 316 N ASN A 108 49.160 -3.653 8.712 1.00 0.00 N ATOM 317 CA ASN A 108 49.046 -4.244 10.076 1.00 0.00 C ATOM 318 C ASN A 108 49.640 -3.293 11.120 1.00 0.00 C ATOM 319 O ASN A 108 49.459 -3.469 12.308 1.00 0.00 O ATOM 320 CB ASN A 108 49.843 -5.550 10.011 1.00 0.00 C ATOM 321 CG ASN A 108 51.342 -5.246 10.077 1.00 0.00 C ATOM 322 OD1 ASN A 108 51.930 -5.271 11.138 1.00 0.00 O ATOM 323 ND2 ASN A 108 51.986 -4.958 8.979 1.00 0.00 N ATOM 0 H ASN A 108 50.044 -3.830 8.234 1.00 0.00 H new ATOM 0 HA ASN A 108 48.010 -4.417 10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 108 49.558 -6.202 10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.611 -6.083 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 108 52.985 -4.754 9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 108 51.491 -4.937 8.088 1.00 0.00 H new ATOM 330 N ALA A 109 50.348 -2.287 10.685 1.00 0.00 N ATOM 331 CA ALA A 109 50.952 -1.326 11.653 1.00 0.00 C ATOM 332 C ALA A 109 51.895 -2.058 12.612 1.00 0.00 C ATOM 333 O ALA A 109 51.575 -2.281 13.762 1.00 0.00 O ATOM 334 CB ALA A 109 49.768 -0.733 12.415 1.00 0.00 C ATOM 0 H ALA A 109 50.535 -2.088 9.702 1.00 0.00 H new ATOM 0 HA ALA A 109 51.543 -0.557 11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.131 -0.014 13.149 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.099 -0.231 11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.227 -1.530 12.925 1.00 0.00 H new ATOM 340 N ASP A 110 53.057 -2.427 12.149 1.00 0.00 N ATOM 341 CA ASP A 110 54.023 -3.141 13.037 1.00 0.00 C ATOM 342 C ASP A 110 55.268 -2.280 13.259 1.00 0.00 C ATOM 343 O ASP A 110 56.137 -2.617 14.038 1.00 0.00 O ATOM 344 CB ASP A 110 54.392 -4.425 12.290 1.00 0.00 C ATOM 345 CG ASP A 110 54.617 -4.114 10.809 1.00 0.00 C ATOM 346 OD1 ASP A 110 54.799 -2.951 10.489 1.00 0.00 O ATOM 347 OD2 ASP A 110 54.601 -5.043 10.019 1.00 0.00 O ATOM 0 H ASP A 110 53.381 -2.266 11.195 1.00 0.00 H new ATOM 0 HA ASP A 110 53.596 -3.352 14.017 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.293 -4.861 12.721 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.597 -5.162 12.400 1.00 0.00 H new ATOM 352 N GLY A 111 55.363 -1.173 12.576 1.00 0.00 N ATOM 353 CA GLY A 111 56.555 -0.296 12.746 1.00 0.00 C ATOM 354 C GLY A 111 57.672 -0.765 11.810 1.00 0.00 C ATOM 355 O GLY A 111 58.737 -0.184 11.761 1.00 0.00 O ATOM 0 H GLY A 111 54.668 -0.838 11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.293 0.739 12.526 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.897 -0.325 13.781 1.00 0.00 H new ATOM 359 N PHE A 112 57.436 -1.812 11.065 1.00 0.00 N ATOM 360 CA PHE A 112 58.486 -2.314 10.132 1.00 0.00 C ATOM 361 C PHE A 112 57.834 -2.903 8.877 1.00 0.00 C ATOM 362 O PHE A 112 57.010 -3.792 8.955 1.00 0.00 O ATOM 363 CB PHE A 112 59.227 -3.409 10.904 1.00 0.00 C ATOM 364 CG PHE A 112 59.440 -2.978 12.337 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.421 -2.028 12.645 1.00 0.00 C ATOM 366 CD2 PHE A 112 58.657 -3.531 13.359 1.00 0.00 C ATOM 367 CE1 PHE A 112 60.619 -1.631 13.974 1.00 0.00 C ATOM 368 CE2 PHE A 112 58.856 -3.135 14.687 1.00 0.00 C ATOM 369 CZ PHE A 112 59.836 -2.184 14.994 1.00 0.00 C ATOM 0 H PHE A 112 56.563 -2.340 11.062 1.00 0.00 H new ATOM 0 HA PHE A 112 59.158 -1.519 9.809 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.654 -4.336 10.876 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.187 -3.613 10.430 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.025 -1.601 11.858 1.00 0.00 H new ATOM 0 HD2 PHE A 112 57.899 -4.263 13.122 1.00 0.00 H new ATOM 0 HE1 PHE A 112 61.376 -0.898 14.211 1.00 0.00 H new ATOM 0 HE2 PHE A 112 58.253 -3.563 15.474 1.00 0.00 H new ATOM 0 HZ PHE A 112 59.988 -1.877 16.018 1.00 0.00 H new ATOM 379 N ILE A 113 58.198 -2.416 7.722 1.00 0.00 N ATOM 380 CA ILE A 113 57.597 -2.954 6.468 1.00 0.00 C ATOM 381 C ILE A 113 58.371 -4.188 5.996 1.00 0.00 C ATOM 382 O ILE A 113 59.569 -4.142 5.801 1.00 0.00 O ATOM 383 CB ILE A 113 57.721 -1.822 5.451 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.913 -0.615 5.931 1.00 0.00 C ATOM 385 CG2 ILE A 113 57.178 -2.290 4.100 1.00 0.00 C ATOM 386 CD1 ILE A 113 57.484 0.661 5.312 1.00 0.00 C ATOM 0 H ILE A 113 58.883 -1.672 7.592 1.00 0.00 H new ATOM 0 HA ILE A 113 56.561 -3.264 6.607 1.00 0.00 H new ATOM 0 HB ILE A 113 58.769 -1.541 5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.866 -0.730 5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.947 -0.551 7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 113 57.266 -1.483 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.751 -3.152 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 113 56.130 -2.570 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.908 1.521 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 113 58.525 0.778 5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.427 0.595 4.225 1.00 0.00 H new ATOM 398 N ASP A 114 57.696 -5.289 5.811 1.00 0.00 N ATOM 399 CA ASP A 114 58.398 -6.521 5.350 1.00 0.00 C ATOM 400 C ASP A 114 58.127 -6.760 3.862 1.00 0.00 C ATOM 401 O ASP A 114 57.482 -5.969 3.203 1.00 0.00 O ATOM 402 CB ASP A 114 57.810 -7.652 6.194 1.00 0.00 C ATOM 403 CG ASP A 114 56.285 -7.637 6.076 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.790 -7.938 5.003 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.638 -7.325 7.063 1.00 0.00 O ATOM 0 H ASP A 114 56.692 -5.389 5.958 1.00 0.00 H new ATOM 0 HA ASP A 114 59.479 -6.448 5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.202 -8.612 5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.106 -7.534 7.236 1.00 0.00 H new ATOM 410 N ILE A 115 58.614 -7.847 3.329 1.00 0.00 N ATOM 411 CA ILE A 115 58.385 -8.138 1.884 1.00 0.00 C ATOM 412 C ILE A 115 56.951 -8.629 1.661 1.00 0.00 C ATOM 413 O ILE A 115 56.360 -8.396 0.625 1.00 0.00 O ATOM 414 CB ILE A 115 59.390 -9.238 1.543 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.353 -9.511 0.037 1.00 0.00 C ATOM 416 CG2 ILE A 115 59.026 -10.515 2.302 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.476 -8.733 -0.650 1.00 0.00 C ATOM 0 H ILE A 115 59.161 -8.547 3.831 1.00 0.00 H new ATOM 0 HA ILE A 115 58.515 -7.256 1.257 1.00 0.00 H new ATOM 0 HB ILE A 115 60.392 -8.918 1.831 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.467 -10.578 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.387 -9.215 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.743 -11.300 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.051 -10.321 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.025 -10.836 2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.450 -8.927 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.342 -7.666 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.438 -9.050 -0.247 1.00 0.00 H new ATOM 429 N GLU A 116 56.389 -9.307 2.623 1.00 0.00 N ATOM 430 CA GLU A 116 54.994 -9.813 2.463 1.00 0.00 C ATOM 431 C GLU A 116 54.035 -8.649 2.194 1.00 0.00 C ATOM 432 O GLU A 116 53.188 -8.719 1.323 1.00 0.00 O ATOM 433 CB GLU A 116 54.665 -10.485 3.797 1.00 0.00 C ATOM 434 CG GLU A 116 55.500 -11.759 3.944 1.00 0.00 C ATOM 435 CD GLU A 116 54.572 -12.963 4.111 1.00 0.00 C ATOM 436 OE1 GLU A 116 54.220 -13.262 5.240 1.00 0.00 O ATOM 437 OE2 GLU A 116 54.229 -13.565 3.107 1.00 0.00 O ATOM 0 H GLU A 116 56.834 -9.533 3.513 1.00 0.00 H new ATOM 0 HA GLU A 116 54.896 -10.502 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.874 -9.803 4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.603 -10.726 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 116 56.134 -11.894 3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 116 56.162 -11.675 4.806 1.00 0.00 H new ATOM 444 N GLU A 117 54.158 -7.580 2.933 1.00 0.00 N ATOM 445 CA GLU A 117 53.251 -6.415 2.717 1.00 0.00 C ATOM 446 C GLU A 117 53.399 -5.880 1.290 1.00 0.00 C ATOM 447 O GLU A 117 52.426 -5.662 0.597 1.00 0.00 O ATOM 448 CB GLU A 117 53.700 -5.366 3.735 1.00 0.00 C ATOM 449 CG GLU A 117 53.105 -5.699 5.105 1.00 0.00 C ATOM 450 CD GLU A 117 53.599 -4.688 6.140 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.478 -3.500 5.885 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.089 -5.117 7.172 1.00 0.00 O ATOM 0 H GLU A 117 54.846 -7.462 3.676 1.00 0.00 H new ATOM 0 HA GLU A 117 52.202 -6.683 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.788 -5.344 3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.378 -4.374 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.016 -5.680 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.392 -6.708 5.402 1.00 0.00 H new ATOM 459 N LEU A 118 54.607 -5.667 0.844 1.00 0.00 N ATOM 460 CA LEU A 118 54.807 -5.146 -0.540 1.00 0.00 C ATOM 461 C LEU A 118 54.143 -6.079 -1.555 1.00 0.00 C ATOM 462 O LEU A 118 53.628 -5.647 -2.567 1.00 0.00 O ATOM 463 CB LEU A 118 56.321 -5.126 -0.745 1.00 0.00 C ATOM 464 CG LEU A 118 56.778 -3.699 -1.052 1.00 0.00 C ATOM 465 CD1 LEU A 118 57.105 -2.973 0.254 1.00 0.00 C ATOM 466 CD2 LEU A 118 58.027 -3.746 -1.935 1.00 0.00 C ATOM 0 H LEU A 118 55.462 -5.830 1.375 1.00 0.00 H new ATOM 0 HA LEU A 118 54.365 -4.159 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.824 -5.495 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.596 -5.791 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 118 55.982 -3.166 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.430 -1.956 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.217 -2.941 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 118 57.901 -3.504 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 118 58.355 -2.730 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 118 58.822 -4.279 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.795 -4.263 -2.866 1.00 0.00 H new ATOM 478 N GLY A 119 54.153 -7.357 -1.292 1.00 0.00 N ATOM 479 CA GLY A 119 53.525 -8.318 -2.241 1.00 0.00 C ATOM 480 C GLY A 119 52.052 -7.960 -2.440 1.00 0.00 C ATOM 481 O GLY A 119 51.659 -7.474 -3.482 1.00 0.00 O ATOM 0 H GLY A 119 54.569 -7.777 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 119 54.047 -8.293 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.613 -9.334 -1.856 1.00 0.00 H new ATOM 485 N GLU A 120 51.232 -8.196 -1.452 1.00 0.00 N ATOM 486 CA GLU A 120 49.785 -7.869 -1.590 1.00 0.00 C ATOM 487 C GLU A 120 49.605 -6.385 -1.920 1.00 0.00 C ATOM 488 O GLU A 120 48.827 -6.021 -2.779 1.00 0.00 O ATOM 489 CB GLU A 120 49.168 -8.199 -0.230 1.00 0.00 C ATOM 490 CG GLU A 120 49.783 -7.301 0.845 1.00 0.00 C ATOM 491 CD GLU A 120 49.443 -7.858 2.229 1.00 0.00 C ATOM 492 OE1 GLU A 120 48.580 -8.717 2.304 1.00 0.00 O ATOM 493 OE2 GLU A 120 50.052 -7.417 3.189 1.00 0.00 O ATOM 0 H GLU A 120 51.502 -8.601 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 120 49.312 -8.430 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.088 -8.054 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.341 -9.247 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 120 50.864 -7.250 0.717 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.402 -6.284 0.747 1.00 0.00 H new ATOM 500 N ILE A 121 50.315 -5.524 -1.244 1.00 0.00 N ATOM 501 CA ILE A 121 50.180 -4.067 -1.526 1.00 0.00 C ATOM 502 C ILE A 121 50.234 -3.822 -3.037 1.00 0.00 C ATOM 503 O ILE A 121 49.322 -3.270 -3.620 1.00 0.00 O ATOM 504 CB ILE A 121 51.370 -3.413 -0.822 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.065 -3.288 0.673 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.616 -2.019 -1.407 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.242 -2.615 1.382 1.00 0.00 C ATOM 0 H ILE A 121 50.981 -5.766 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 121 49.233 -3.658 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 121 52.259 -4.027 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.156 -2.705 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.885 -4.274 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.465 -1.557 -0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.830 -2.104 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.729 -1.402 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.023 -2.527 2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.141 -3.216 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.401 -1.622 0.961 1.00 0.00 H new ATOM 519 N LEU A 122 51.295 -4.231 -3.676 1.00 0.00 N ATOM 520 CA LEU A 122 51.405 -4.026 -5.149 1.00 0.00 C ATOM 521 C LEU A 122 50.398 -4.918 -5.881 1.00 0.00 C ATOM 522 O LEU A 122 49.662 -4.468 -6.737 1.00 0.00 O ATOM 523 CB LEU A 122 52.837 -4.434 -5.499 1.00 0.00 C ATOM 524 CG LEU A 122 53.720 -3.188 -5.566 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.077 -3.487 -4.926 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.925 -2.789 -7.029 1.00 0.00 C ATOM 0 H LEU A 122 52.091 -4.698 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 122 51.191 -2.998 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.223 -5.126 -4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.854 -4.957 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 122 53.237 -2.372 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.706 -2.598 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 122 54.933 -3.773 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.561 -4.303 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.554 -1.901 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.408 -3.606 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.959 -2.576 -7.487 1.00 0.00 H new ATOM 538 N ARG A 123 50.360 -6.180 -5.548 1.00 0.00 N ATOM 539 CA ARG A 123 49.402 -7.105 -6.220 1.00 0.00 C ATOM 540 C ARG A 123 47.974 -6.559 -6.123 1.00 0.00 C ATOM 541 O ARG A 123 47.185 -6.688 -7.038 1.00 0.00 O ATOM 542 CB ARG A 123 49.522 -8.422 -5.449 1.00 0.00 C ATOM 543 CG ARG A 123 50.439 -9.380 -6.211 1.00 0.00 C ATOM 544 CD ARG A 123 51.049 -10.388 -5.234 1.00 0.00 C ATOM 545 NE ARG A 123 52.492 -10.454 -5.598 1.00 0.00 N ATOM 546 CZ ARG A 123 53.006 -11.576 -6.022 1.00 0.00 C ATOM 547 NH1 ARG A 123 53.000 -11.856 -7.297 1.00 0.00 N ATOM 548 NH2 ARG A 123 53.529 -12.418 -5.173 1.00 0.00 N ATOM 0 H ARG A 123 50.952 -6.611 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 123 49.622 -7.226 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.921 -8.236 -4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.537 -8.871 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 123 49.875 -9.902 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.228 -8.822 -6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.917 -10.066 -4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 123 50.574 -11.365 -5.327 1.00 0.00 H new ATOM 0 HE ARG A 123 53.078 -9.623 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 123 52.594 -11.198 -7.962 1.00 0.00 H new ATOM 0 HH12 ARG A 123 53.402 -12.733 -7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 123 53.536 -12.199 -4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 123 53.930 -13.295 -5.506 1.00 0.00 H new ATOM 562 N ALA A 124 47.636 -5.956 -5.016 1.00 0.00 N ATOM 563 CA ALA A 124 46.258 -5.408 -4.851 1.00 0.00 C ATOM 564 C ALA A 124 45.892 -4.489 -6.022 1.00 0.00 C ATOM 565 O ALA A 124 44.769 -4.478 -6.484 1.00 0.00 O ATOM 566 CB ALA A 124 46.305 -4.618 -3.543 1.00 0.00 C ATOM 0 H ALA A 124 48.255 -5.819 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 124 45.505 -6.196 -4.831 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.326 -4.180 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.575 -5.285 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.048 -3.824 -3.624 1.00 0.00 H new ATOM 572 N THR A 125 46.828 -3.714 -6.503 1.00 0.00 N ATOM 573 CA THR A 125 46.521 -2.797 -7.641 1.00 0.00 C ATOM 574 C THR A 125 45.933 -3.581 -8.816 1.00 0.00 C ATOM 575 O THR A 125 45.227 -3.039 -9.645 1.00 0.00 O ATOM 576 CB THR A 125 47.864 -2.179 -8.032 1.00 0.00 C ATOM 577 OG1 THR A 125 48.745 -3.204 -8.470 1.00 0.00 O ATOM 578 CG2 THR A 125 48.470 -1.464 -6.824 1.00 0.00 C ATOM 0 H THR A 125 47.788 -3.676 -6.159 1.00 0.00 H new ATOM 0 HA THR A 125 45.787 -2.039 -7.367 1.00 0.00 H new ATOM 0 HB THR A 125 47.713 -1.460 -8.838 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.388 -3.408 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 125 49.427 -1.024 -7.104 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.793 -0.678 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.622 -2.180 -6.016 1.00 0.00 H new ATOM 586 N GLY A 126 46.221 -4.849 -8.899 1.00 0.00 N ATOM 587 CA GLY A 126 45.685 -5.665 -10.025 1.00 0.00 C ATOM 588 C GLY A 126 46.850 -6.239 -10.829 1.00 0.00 C ATOM 589 O GLY A 126 46.740 -7.278 -11.448 1.00 0.00 O ATOM 0 H GLY A 126 46.805 -5.357 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 126 45.061 -6.472 -9.640 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.053 -5.051 -10.666 1.00 0.00 H new ATOM 593 N GLU A 127 47.971 -5.569 -10.822 1.00 0.00 N ATOM 594 CA GLU A 127 49.148 -6.075 -11.582 1.00 0.00 C ATOM 595 C GLU A 127 49.791 -7.244 -10.832 1.00 0.00 C ATOM 596 O GLU A 127 50.000 -7.186 -9.636 1.00 0.00 O ATOM 597 CB GLU A 127 50.115 -4.892 -11.655 1.00 0.00 C ATOM 598 CG GLU A 127 49.439 -3.720 -12.367 1.00 0.00 C ATOM 599 CD GLU A 127 49.676 -3.831 -13.874 1.00 0.00 C ATOM 600 OE1 GLU A 127 50.802 -4.099 -14.258 1.00 0.00 O ATOM 601 OE2 GLU A 127 48.727 -3.646 -14.618 1.00 0.00 O ATOM 0 H GLU A 127 48.122 -4.693 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 127 48.875 -6.438 -12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.418 -4.595 -10.651 1.00 0.00 H new ATOM 0 HB3 GLU A 127 51.020 -5.182 -12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 127 48.370 -3.721 -12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 127 49.837 -2.776 -11.994 1.00 0.00 H new ATOM 608 N HIS A 128 50.106 -8.304 -11.522 1.00 0.00 N ATOM 609 CA HIS A 128 50.734 -9.474 -10.844 1.00 0.00 C ATOM 610 C HIS A 128 52.254 -9.302 -10.796 1.00 0.00 C ATOM 611 O HIS A 128 52.988 -9.987 -11.482 1.00 0.00 O ATOM 612 CB HIS A 128 50.350 -10.678 -11.704 1.00 0.00 C ATOM 613 CG HIS A 128 48.869 -10.653 -11.964 1.00 0.00 C ATOM 614 ND1 HIS A 128 48.327 -11.005 -13.190 1.00 0.00 N ATOM 615 CD2 HIS A 128 47.804 -10.316 -11.166 1.00 0.00 C ATOM 616 CE1 HIS A 128 46.991 -10.873 -13.095 1.00 0.00 C ATOM 617 NE2 HIS A 128 46.619 -10.456 -11.882 1.00 0.00 N ATOM 0 H HIS A 128 49.956 -8.412 -12.525 1.00 0.00 H new ATOM 0 HA HIS A 128 50.399 -9.588 -9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 128 50.896 -10.655 -12.647 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.626 -11.603 -11.198 1.00 0.00 H new ATOM 0 HD2 HIS A 128 47.875 -9.991 -10.138 1.00 0.00 H new ATOM 0 HE1 HIS A 128 46.303 -11.079 -13.902 1.00 0.00 H new ATOM 0 HE2 HIS A 128 45.671 -10.278 -11.552 1.00 0.00 H new ATOM 625 N VAL A 129 52.733 -8.393 -9.990 1.00 0.00 N ATOM 626 CA VAL A 129 54.205 -8.178 -9.898 1.00 0.00 C ATOM 627 C VAL A 129 54.883 -9.426 -9.327 1.00 0.00 C ATOM 628 O VAL A 129 54.400 -10.034 -8.393 1.00 0.00 O ATOM 629 CB VAL A 129 54.374 -6.993 -8.949 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.852 -6.611 -8.867 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.570 -5.801 -9.477 1.00 0.00 C ATOM 0 H VAL A 129 52.168 -7.790 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 129 54.658 -7.986 -10.871 1.00 0.00 H new ATOM 0 HB VAL A 129 54.014 -7.267 -7.957 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.972 -5.765 -8.190 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.427 -7.459 -8.494 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.212 -6.336 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.689 -4.954 -8.801 1.00 0.00 H new ATOM 0 HG22 VAL A 129 53.932 -5.528 -10.468 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.516 -6.071 -9.538 1.00 0.00 H new ATOM 641 N ILE A 130 55.998 -9.815 -9.884 1.00 0.00 N ATOM 642 CA ILE A 130 56.702 -11.025 -9.373 1.00 0.00 C ATOM 643 C ILE A 130 57.629 -10.652 -8.213 1.00 0.00 C ATOM 644 O ILE A 130 58.314 -9.649 -8.249 1.00 0.00 O ATOM 645 CB ILE A 130 57.513 -11.540 -10.562 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.629 -10.543 -10.886 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.595 -11.691 -11.777 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.296 -10.936 -12.204 1.00 0.00 C ATOM 0 H ILE A 130 56.451 -9.348 -10.670 1.00 0.00 H new ATOM 0 HA ILE A 130 56.009 -11.776 -8.994 1.00 0.00 H new ATOM 0 HB ILE A 130 57.950 -12.507 -10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.221 -9.535 -10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.366 -10.531 -10.083 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.172 -12.058 -12.626 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.799 -12.399 -11.546 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.159 -10.724 -12.026 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.091 -10.227 -12.435 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.718 -11.937 -12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.556 -10.925 -13.004 1.00 0.00 H new ATOM 660 N GLU A 131 57.654 -11.453 -7.182 1.00 0.00 N ATOM 661 CA GLU A 131 58.536 -11.148 -6.018 1.00 0.00 C ATOM 662 C GLU A 131 59.909 -10.676 -6.505 1.00 0.00 C ATOM 663 O GLU A 131 60.512 -9.791 -5.930 1.00 0.00 O ATOM 664 CB GLU A 131 58.663 -12.472 -5.262 1.00 0.00 C ATOM 665 CG GLU A 131 57.297 -12.877 -4.701 1.00 0.00 C ATOM 666 CD GLU A 131 56.880 -11.892 -3.607 1.00 0.00 C ATOM 667 OE1 GLU A 131 56.378 -10.834 -3.949 1.00 0.00 O ATOM 668 OE2 GLU A 131 57.070 -12.213 -2.446 1.00 0.00 O ATOM 0 H GLU A 131 57.102 -12.306 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 131 58.132 -10.355 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 131 59.038 -13.248 -5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.385 -12.372 -4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 131 56.554 -12.887 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 131 57.344 -13.888 -4.296 1.00 0.00 H new ATOM 675 N GLU A 132 60.408 -11.266 -7.559 1.00 0.00 N ATOM 676 CA GLU A 132 61.744 -10.860 -8.088 1.00 0.00 C ATOM 677 C GLU A 132 61.901 -9.339 -8.040 1.00 0.00 C ATOM 678 O GLU A 132 62.956 -8.823 -7.725 1.00 0.00 O ATOM 679 CB GLU A 132 61.761 -11.353 -9.534 1.00 0.00 C ATOM 680 CG GLU A 132 63.061 -12.115 -9.799 1.00 0.00 C ATOM 681 CD GLU A 132 62.897 -12.989 -11.043 1.00 0.00 C ATOM 682 OE1 GLU A 132 61.926 -12.793 -11.756 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.743 -13.841 -11.261 1.00 0.00 O ATOM 0 H GLU A 132 59.947 -12.013 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 132 62.562 -11.278 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 132 60.904 -12.000 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 132 61.676 -10.509 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 132 63.883 -11.414 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.314 -12.734 -8.938 1.00 0.00 H new ATOM 690 N ASP A 133 60.861 -8.615 -8.349 1.00 0.00 N ATOM 691 CA ASP A 133 60.950 -7.131 -8.318 1.00 0.00 C ATOM 692 C ASP A 133 60.706 -6.637 -6.893 1.00 0.00 C ATOM 693 O ASP A 133 61.423 -5.802 -6.378 1.00 0.00 O ATOM 694 CB ASP A 133 59.840 -6.656 -9.254 1.00 0.00 C ATOM 695 CG ASP A 133 60.460 -6.015 -10.498 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.533 -5.447 -10.375 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.851 -6.105 -11.551 1.00 0.00 O ATOM 0 H ASP A 133 59.952 -8.989 -8.622 1.00 0.00 H new ATOM 0 HA ASP A 133 61.926 -6.756 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.208 -7.496 -9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.201 -5.937 -8.742 1.00 0.00 H new ATOM 702 N ILE A 134 59.703 -7.165 -6.248 1.00 0.00 N ATOM 703 CA ILE A 134 59.412 -6.748 -4.851 1.00 0.00 C ATOM 704 C ILE A 134 60.652 -6.965 -3.984 1.00 0.00 C ATOM 705 O ILE A 134 60.938 -6.203 -3.083 1.00 0.00 O ATOM 706 CB ILE A 134 58.277 -7.663 -4.404 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.074 -7.452 -5.325 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.891 -7.330 -2.961 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.872 -8.217 -4.779 1.00 0.00 C ATOM 0 H ILE A 134 59.072 -7.869 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 134 59.142 -5.695 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 134 58.597 -8.704 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.840 -6.390 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.310 -7.795 -6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.080 -7.984 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.753 -7.477 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.565 -6.292 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.016 -8.066 -5.436 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.109 -9.280 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.632 -7.853 -3.780 1.00 0.00 H new ATOM 721 N GLU A 135 61.390 -8.007 -4.257 1.00 0.00 N ATOM 722 CA GLU A 135 62.619 -8.284 -3.459 1.00 0.00 C ATOM 723 C GLU A 135 63.656 -7.182 -3.685 1.00 0.00 C ATOM 724 O GLU A 135 64.360 -6.782 -2.779 1.00 0.00 O ATOM 725 CB GLU A 135 63.138 -9.624 -3.982 1.00 0.00 C ATOM 726 CG GLU A 135 62.052 -10.690 -3.823 1.00 0.00 C ATOM 727 CD GLU A 135 62.585 -11.836 -2.960 1.00 0.00 C ATOM 728 OE1 GLU A 135 63.238 -12.709 -3.507 1.00 0.00 O ATOM 729 OE2 GLU A 135 62.331 -11.821 -1.767 1.00 0.00 O ATOM 0 H GLU A 135 61.195 -8.679 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 135 62.417 -8.315 -2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.421 -9.532 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.034 -9.918 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 135 61.165 -10.255 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.751 -11.066 -4.801 1.00 0.00 H new ATOM 736 N ASP A 136 63.755 -6.686 -4.888 1.00 0.00 N ATOM 737 CA ASP A 136 64.748 -5.610 -5.174 1.00 0.00 C ATOM 738 C ASP A 136 64.588 -4.462 -4.172 1.00 0.00 C ATOM 739 O ASP A 136 65.528 -4.067 -3.511 1.00 0.00 O ATOM 740 CB ASP A 136 64.418 -5.136 -6.589 1.00 0.00 C ATOM 741 CG ASP A 136 65.205 -3.860 -6.899 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.341 -3.978 -7.329 1.00 0.00 O ATOM 743 OD2 ASP A 136 64.657 -2.788 -6.703 1.00 0.00 O ATOM 0 H ASP A 136 63.191 -6.979 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 136 65.776 -5.963 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.667 -5.913 -7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.348 -4.947 -6.680 1.00 0.00 H new ATOM 748 N LEU A 137 63.406 -3.922 -4.055 1.00 0.00 N ATOM 749 CA LEU A 137 63.189 -2.800 -3.097 1.00 0.00 C ATOM 750 C LEU A 137 63.736 -3.165 -1.714 1.00 0.00 C ATOM 751 O LEU A 137 64.315 -2.346 -1.029 1.00 0.00 O ATOM 752 CB LEU A 137 61.672 -2.617 -3.038 1.00 0.00 C ATOM 753 CG LEU A 137 61.192 -1.896 -4.298 1.00 0.00 C ATOM 754 CD1 LEU A 137 59.690 -1.631 -4.191 1.00 0.00 C ATOM 755 CD2 LEU A 137 61.934 -0.565 -4.437 1.00 0.00 C ATOM 0 H LEU A 137 62.581 -4.209 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 137 63.700 -1.890 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 137 61.182 -3.587 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 137 61.399 -2.043 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 137 61.391 -2.517 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 137 59.346 -1.117 -5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 137 59.160 -2.578 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 137 59.492 -1.009 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 137 61.593 -0.050 -5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 137 61.733 0.056 -3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 137 63.005 -0.752 -4.511 1.00 0.00 H new ATOM 767 N MET A 138 63.553 -4.388 -1.298 1.00 0.00 N ATOM 768 CA MET A 138 64.057 -4.806 0.041 1.00 0.00 C ATOM 769 C MET A 138 65.586 -4.753 0.076 1.00 0.00 C ATOM 770 O MET A 138 66.182 -4.366 1.063 1.00 0.00 O ATOM 771 CB MET A 138 63.566 -6.245 0.214 1.00 0.00 C ATOM 772 CG MET A 138 64.129 -6.826 1.512 1.00 0.00 C ATOM 773 SD MET A 138 62.763 -7.337 2.584 1.00 0.00 S ATOM 774 CE MET A 138 62.126 -5.682 2.941 1.00 0.00 C ATOM 0 H MET A 138 63.076 -5.117 -1.828 1.00 0.00 H new ATOM 0 HA MET A 138 63.702 -4.153 0.838 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.476 -6.268 0.236 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.881 -6.852 -0.635 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.772 -7.678 1.293 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.745 -6.083 2.019 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.623 -5.687 3.908 1.00 0.00 H new ATOM 0 HE2 MET A 138 62.952 -4.971 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.418 -5.389 2.165 1.00 0.00 H new ATOM 784 N LYS A 139 66.226 -5.144 -0.990 1.00 0.00 N ATOM 785 CA LYS A 139 67.717 -5.123 -1.015 1.00 0.00 C ATOM 786 C LYS A 139 68.237 -3.685 -0.915 1.00 0.00 C ATOM 787 O LYS A 139 69.073 -3.372 -0.091 1.00 0.00 O ATOM 788 CB LYS A 139 68.097 -5.732 -2.365 1.00 0.00 C ATOM 789 CG LYS A 139 68.191 -7.254 -2.237 1.00 0.00 C ATOM 790 CD LYS A 139 68.366 -7.873 -3.625 1.00 0.00 C ATOM 791 CE LYS A 139 67.018 -8.400 -4.121 1.00 0.00 C ATOM 792 NZ LYS A 139 67.208 -9.871 -4.255 1.00 0.00 N ATOM 0 H LYS A 139 65.782 -5.477 -1.846 1.00 0.00 H new ATOM 0 HA LYS A 139 68.147 -5.673 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.354 -5.466 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 139 69.051 -5.326 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.031 -7.525 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 139 67.291 -7.646 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 139 68.756 -7.130 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 139 69.093 -8.684 -3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 139 66.219 -8.167 -3.417 1.00 0.00 H new ATOM 0 HE3 LYS A 139 66.744 -7.948 -5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 66.325 -10.306 -4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 67.970 -10.062 -4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 67.462 -10.274 -3.330 1.00 0.00 H new ATOM 806 N ASP A 140 67.759 -2.813 -1.759 1.00 0.00 N ATOM 807 CA ASP A 140 68.232 -1.399 -1.727 1.00 0.00 C ATOM 808 C ASP A 140 67.808 -0.704 -0.429 1.00 0.00 C ATOM 809 O ASP A 140 68.449 0.221 0.025 1.00 0.00 O ATOM 810 CB ASP A 140 67.564 -0.734 -2.930 1.00 0.00 C ATOM 811 CG ASP A 140 68.383 0.484 -3.361 1.00 0.00 C ATOM 812 OD1 ASP A 140 69.598 0.375 -3.391 1.00 0.00 O ATOM 813 OD2 ASP A 140 67.782 1.504 -3.654 1.00 0.00 O ATOM 0 H ASP A 140 67.059 -3.019 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 140 69.319 -1.336 -1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 140 67.486 -1.443 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.549 -0.431 -2.674 1.00 0.00 H new ATOM 818 N SER A 141 66.727 -1.130 0.165 1.00 0.00 N ATOM 819 CA SER A 141 66.267 -0.473 1.423 1.00 0.00 C ATOM 820 C SER A 141 66.894 -1.140 2.653 1.00 0.00 C ATOM 821 O SER A 141 67.657 -0.531 3.375 1.00 0.00 O ATOM 822 CB SER A 141 64.753 -0.656 1.430 1.00 0.00 C ATOM 823 OG SER A 141 64.150 0.464 2.066 1.00 0.00 O ATOM 0 H SER A 141 66.145 -1.900 -0.163 1.00 0.00 H new ATOM 0 HA SER A 141 66.558 0.577 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.382 -0.754 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.488 -1.574 1.955 1.00 0.00 H new ATOM 0 HG SER A 141 63.524 0.894 1.447 1.00 0.00 H new ATOM 829 N ASP A 142 66.571 -2.381 2.901 1.00 0.00 N ATOM 830 CA ASP A 142 67.144 -3.078 4.090 1.00 0.00 C ATOM 831 C ASP A 142 68.630 -2.737 4.243 1.00 0.00 C ATOM 832 O ASP A 142 69.480 -3.306 3.588 1.00 0.00 O ATOM 833 CB ASP A 142 66.959 -4.569 3.805 1.00 0.00 C ATOM 834 CG ASP A 142 66.901 -5.338 5.126 1.00 0.00 C ATOM 835 OD1 ASP A 142 67.065 -4.711 6.160 1.00 0.00 O ATOM 836 OD2 ASP A 142 66.692 -6.539 5.081 1.00 0.00 O ATOM 0 H ASP A 142 65.936 -2.942 2.333 1.00 0.00 H new ATOM 0 HA ASP A 142 66.656 -2.778 5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 142 66.043 -4.731 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.782 -4.938 3.193 1.00 0.00 H new ATOM 841 N LYS A 143 68.945 -1.808 5.105 1.00 0.00 N ATOM 842 CA LYS A 143 70.372 -1.422 5.301 1.00 0.00 C ATOM 843 C LYS A 143 70.979 -2.201 6.472 1.00 0.00 C ATOM 844 O LYS A 143 72.155 -2.511 6.478 1.00 0.00 O ATOM 845 CB LYS A 143 70.332 0.076 5.610 1.00 0.00 C ATOM 846 CG LYS A 143 71.702 0.536 6.116 1.00 0.00 C ATOM 847 CD LYS A 143 72.669 0.658 4.936 1.00 0.00 C ATOM 848 CE LYS A 143 72.318 1.899 4.112 1.00 0.00 C ATOM 849 NZ LYS A 143 73.116 3.001 4.717 1.00 0.00 N ATOM 0 H LYS A 143 68.275 -1.299 5.682 1.00 0.00 H new ATOM 0 HA LYS A 143 70.986 -1.643 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 143 70.058 0.634 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 143 69.569 0.282 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.610 1.496 6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 143 72.090 -0.175 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 143 73.695 0.728 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 143 72.612 -0.234 4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 143 72.571 1.759 3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 143 71.250 2.114 4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 72.626 3.906 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 73.227 2.830 5.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 74.053 3.038 4.268 1.00 0.00 H new ATOM 863 N ASN A 144 70.192 -2.520 7.463 1.00 0.00 N ATOM 864 CA ASN A 144 70.735 -3.279 8.628 1.00 0.00 C ATOM 865 C ASN A 144 70.342 -4.756 8.527 1.00 0.00 C ATOM 866 O ASN A 144 70.395 -5.492 9.492 1.00 0.00 O ATOM 867 CB ASN A 144 70.106 -2.622 9.861 1.00 0.00 C ATOM 868 CG ASN A 144 68.671 -3.120 10.043 1.00 0.00 C ATOM 869 OD1 ASN A 144 68.425 -4.032 10.807 1.00 0.00 O ATOM 870 ND2 ASN A 144 67.705 -2.553 9.372 1.00 0.00 N ATOM 0 H ASN A 144 69.200 -2.289 7.518 1.00 0.00 H new ATOM 0 HA ASN A 144 71.824 -3.250 8.672 1.00 0.00 H new ATOM 0 HB2 ASN A 144 70.696 -2.854 10.748 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.112 -1.538 9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 144 66.745 -2.876 9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 144 67.911 -1.787 8.730 1.00 0.00 H new ATOM 877 N ASN A 145 69.951 -5.192 7.361 1.00 0.00 N ATOM 878 CA ASN A 145 69.558 -6.621 7.184 1.00 0.00 C ATOM 879 C ASN A 145 68.580 -7.052 8.281 1.00 0.00 C ATOM 880 O ASN A 145 68.955 -7.685 9.248 1.00 0.00 O ATOM 881 CB ASN A 145 70.861 -7.408 7.296 1.00 0.00 C ATOM 882 CG ASN A 145 71.869 -6.871 6.278 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.742 -5.757 5.812 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.870 -7.622 5.911 1.00 0.00 N ATOM 0 H ASN A 145 69.886 -4.619 6.520 1.00 0.00 H new ATOM 0 HA ASN A 145 69.056 -6.789 6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.265 -7.322 8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.676 -8.467 7.117 1.00 0.00 H new ATOM 0 HD21 ASN A 145 73.547 -7.274 5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 145 72.976 -8.558 6.303 1.00 0.00 H new ATOM 891 N ASP A 146 67.329 -6.722 8.131 1.00 0.00 N ATOM 892 CA ASP A 146 66.322 -7.120 9.156 1.00 0.00 C ATOM 893 C ASP A 146 65.075 -7.676 8.466 1.00 0.00 C ATOM 894 O ASP A 146 64.047 -7.875 9.082 1.00 0.00 O ATOM 895 CB ASP A 146 65.992 -5.834 9.913 1.00 0.00 C ATOM 896 CG ASP A 146 65.140 -4.924 9.025 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.432 -4.841 7.844 1.00 0.00 O ATOM 898 OD2 ASP A 146 64.209 -4.329 9.542 1.00 0.00 O ATOM 0 H ASP A 146 66.958 -6.193 7.342 1.00 0.00 H new ATOM 0 HA ASP A 146 66.692 -7.896 9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.456 -6.068 10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.911 -5.323 10.201 1.00 0.00 H new ATOM 903 N GLY A 147 65.160 -7.924 7.187 1.00 0.00 N ATOM 904 CA GLY A 147 63.984 -8.464 6.449 1.00 0.00 C ATOM 905 C GLY A 147 62.834 -7.457 6.509 1.00 0.00 C ATOM 906 O GLY A 147 61.701 -7.778 6.209 1.00 0.00 O ATOM 0 H GLY A 147 65.995 -7.775 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.253 -8.663 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.673 -9.413 6.885 1.00 0.00 H new ATOM 910 N ARG A 148 63.114 -6.240 6.894 1.00 0.00 N ATOM 911 CA ARG A 148 62.031 -5.216 6.974 1.00 0.00 C ATOM 912 C ARG A 148 62.580 -3.827 6.631 1.00 0.00 C ATOM 913 O ARG A 148 63.698 -3.490 6.968 1.00 0.00 O ATOM 914 CB ARG A 148 61.558 -5.254 8.427 1.00 0.00 C ATOM 915 CG ARG A 148 60.519 -6.363 8.600 1.00 0.00 C ATOM 916 CD ARG A 148 60.445 -6.766 10.073 1.00 0.00 C ATOM 917 NE ARG A 148 59.496 -7.912 10.110 1.00 0.00 N ATOM 918 CZ ARG A 148 59.277 -8.541 11.231 1.00 0.00 C ATOM 919 NH1 ARG A 148 60.227 -8.635 12.121 1.00 0.00 N ATOM 920 NH2 ARG A 148 58.111 -9.077 11.461 1.00 0.00 N ATOM 0 H ARG A 148 64.043 -5.911 7.156 1.00 0.00 H new ATOM 0 HA ARG A 148 61.223 -5.420 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.405 -5.428 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.128 -4.292 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.543 -6.019 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 148 60.786 -7.225 7.989 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.425 -7.053 10.454 1.00 0.00 H new ATOM 0 HD3 ARG A 148 60.092 -5.941 10.691 1.00 0.00 H new ATOM 0 HE ARG A 148 59.017 -8.205 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 148 61.139 -8.217 11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 148 60.057 -9.127 12.998 1.00 0.00 H new ATOM 0 HH21 ARG A 148 57.370 -9.004 10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 148 57.940 -9.569 12.338 1.00 0.00 H new ATOM 934 N ILE A 149 61.798 -3.015 5.970 1.00 0.00 N ATOM 935 CA ILE A 149 62.270 -1.646 5.614 1.00 0.00 C ATOM 936 C ILE A 149 61.841 -0.648 6.694 1.00 0.00 C ATOM 937 O ILE A 149 60.672 -0.507 6.991 1.00 0.00 O ATOM 938 CB ILE A 149 61.588 -1.326 4.277 1.00 0.00 C ATOM 939 CG1 ILE A 149 62.394 -1.944 3.134 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.513 0.190 4.074 1.00 0.00 C ATOM 941 CD1 ILE A 149 61.510 -2.916 2.350 1.00 0.00 C ATOM 0 H ILE A 149 60.853 -3.241 5.661 1.00 0.00 H new ATOM 0 HA ILE A 149 63.356 -1.585 5.538 1.00 0.00 H new ATOM 0 HB ILE A 149 60.579 -1.739 4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.766 -1.161 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 149 63.264 -2.467 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 149 61.027 0.406 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.938 0.638 4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.520 0.607 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 149 62.086 -3.356 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 149 61.160 -3.706 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.654 -2.380 1.941 1.00 0.00 H new ATOM 953 N ASP A 150 62.774 0.052 7.276 1.00 0.00 N ATOM 954 CA ASP A 150 62.409 1.043 8.327 1.00 0.00 C ATOM 955 C ASP A 150 62.188 2.419 7.689 1.00 0.00 C ATOM 956 O ASP A 150 62.043 2.537 6.488 1.00 0.00 O ATOM 957 CB ASP A 150 63.602 1.072 9.285 1.00 0.00 C ATOM 958 CG ASP A 150 64.862 1.500 8.532 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.725 2.095 7.477 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.944 1.227 9.025 1.00 0.00 O ATOM 0 H ASP A 150 63.771 -0.018 7.071 1.00 0.00 H new ATOM 0 HA ASP A 150 61.487 0.780 8.846 1.00 0.00 H new ATOM 0 HB2 ASP A 150 63.405 1.763 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.749 0.087 9.727 1.00 0.00 H new ATOM 965 N PHE A 151 62.156 3.456 8.479 1.00 0.00 N ATOM 966 CA PHE A 151 61.939 4.817 7.908 1.00 0.00 C ATOM 967 C PHE A 151 63.142 5.237 7.057 1.00 0.00 C ATOM 968 O PHE A 151 63.005 5.587 5.901 1.00 0.00 O ATOM 969 CB PHE A 151 61.790 5.738 9.119 1.00 0.00 C ATOM 970 CG PHE A 151 60.918 6.914 8.748 1.00 0.00 C ATOM 971 CD1 PHE A 151 61.139 7.594 7.545 1.00 0.00 C ATOM 972 CD2 PHE A 151 59.889 7.322 9.604 1.00 0.00 C ATOM 973 CE1 PHE A 151 60.330 8.682 7.197 1.00 0.00 C ATOM 974 CE2 PHE A 151 59.080 8.410 9.257 1.00 0.00 C ATOM 975 CZ PHE A 151 59.301 9.091 8.054 1.00 0.00 C ATOM 0 H PHE A 151 62.270 3.422 9.492 1.00 0.00 H new ATOM 0 HA PHE A 151 61.065 4.855 7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 151 61.349 5.192 9.953 1.00 0.00 H new ATOM 0 HB3 PHE A 151 62.769 6.086 9.448 1.00 0.00 H new ATOM 0 HD1 PHE A 151 61.934 7.279 6.885 1.00 0.00 H new ATOM 0 HD2 PHE A 151 59.719 6.797 10.533 1.00 0.00 H new ATOM 0 HE1 PHE A 151 60.499 9.206 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 151 58.285 8.724 9.917 1.00 0.00 H new ATOM 0 HZ PHE A 151 58.678 9.932 7.787 1.00 0.00 H new ATOM 985 N ASP A 152 64.319 5.209 7.618 1.00 0.00 N ATOM 986 CA ASP A 152 65.525 5.609 6.839 1.00 0.00 C ATOM 987 C ASP A 152 65.655 4.748 5.578 1.00 0.00 C ATOM 988 O ASP A 152 65.697 5.251 4.473 1.00 0.00 O ATOM 989 CB ASP A 152 66.702 5.361 7.784 1.00 0.00 C ATOM 990 CG ASP A 152 67.350 6.697 8.156 1.00 0.00 C ATOM 991 OD1 ASP A 152 67.068 7.676 7.487 1.00 0.00 O ATOM 992 OD2 ASP A 152 68.118 6.715 9.103 1.00 0.00 O ATOM 0 H ASP A 152 64.498 4.927 8.582 1.00 0.00 H new ATOM 0 HA ASP A 152 65.478 6.646 6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.359 4.849 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.434 4.710 7.306 1.00 0.00 H new ATOM 997 N GLU A 153 65.720 3.455 5.738 1.00 0.00 N ATOM 998 CA GLU A 153 65.849 2.557 4.554 1.00 0.00 C ATOM 999 C GLU A 153 64.817 2.927 3.482 1.00 0.00 C ATOM 1000 O GLU A 153 65.132 3.024 2.312 1.00 0.00 O ATOM 1001 CB GLU A 153 65.577 1.152 5.094 1.00 0.00 C ATOM 1002 CG GLU A 153 66.687 0.757 6.070 1.00 0.00 C ATOM 1003 CD GLU A 153 66.265 -0.489 6.851 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.080 -0.786 6.860 1.00 0.00 O ATOM 1005 OE2 GLU A 153 67.132 -1.127 7.426 1.00 0.00 O ATOM 0 H GLU A 153 65.689 2.980 6.640 1.00 0.00 H new ATOM 0 HA GLU A 153 66.830 2.636 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.610 1.125 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.530 0.438 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.611 0.562 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.890 1.578 6.758 1.00 0.00 H new ATOM 1012 N PHE A 154 63.588 3.128 3.871 1.00 0.00 N ATOM 1013 CA PHE A 154 62.537 3.484 2.873 1.00 0.00 C ATOM 1014 C PHE A 154 62.961 4.706 2.054 1.00 0.00 C ATOM 1015 O PHE A 154 63.055 4.651 0.843 1.00 0.00 O ATOM 1016 CB PHE A 154 61.295 3.807 3.706 1.00 0.00 C ATOM 1017 CG PHE A 154 60.056 3.595 2.868 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.890 4.304 1.672 1.00 0.00 C ATOM 1019 CD2 PHE A 154 59.072 2.693 3.290 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.740 4.108 0.897 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.923 2.498 2.515 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.756 3.205 1.318 1.00 0.00 C ATOM 0 H PHE A 154 63.265 3.061 4.836 1.00 0.00 H new ATOM 0 HA PHE A 154 62.360 2.677 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 154 61.262 3.171 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.338 4.838 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 154 60.648 5.001 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.200 2.148 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 154 58.612 4.654 -0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 154 57.164 1.802 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.869 3.054 0.720 1.00 0.00 H new ATOM 1032 N LEU A 155 63.210 5.809 2.702 1.00 0.00 N ATOM 1033 CA LEU A 155 63.618 7.037 1.961 1.00 0.00 C ATOM 1034 C LEU A 155 64.788 6.740 1.015 1.00 0.00 C ATOM 1035 O LEU A 155 64.695 6.931 -0.181 1.00 0.00 O ATOM 1036 CB LEU A 155 64.048 8.025 3.045 1.00 0.00 C ATOM 1037 CG LEU A 155 62.811 8.551 3.777 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.231 9.623 4.785 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.841 9.158 2.761 1.00 0.00 C ATOM 0 H LEU A 155 63.149 5.914 3.715 1.00 0.00 H new ATOM 0 HA LEU A 155 62.809 7.426 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.721 7.537 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.599 8.853 2.599 1.00 0.00 H new ATOM 0 HG LEU A 155 62.323 7.731 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.350 9.997 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 155 63.924 9.192 5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 155 63.719 10.445 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 155 60.959 9.534 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.330 9.979 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.542 8.395 2.042 1.00 0.00 H new ATOM 1051 N LYS A 156 65.890 6.285 1.544 1.00 0.00 N ATOM 1052 CA LYS A 156 67.070 5.988 0.678 1.00 0.00 C ATOM 1053 C LYS A 156 66.661 5.126 -0.521 1.00 0.00 C ATOM 1054 O LYS A 156 67.096 5.352 -1.632 1.00 0.00 O ATOM 1055 CB LYS A 156 68.039 5.222 1.579 1.00 0.00 C ATOM 1056 CG LYS A 156 69.443 5.815 1.437 1.00 0.00 C ATOM 1057 CD LYS A 156 70.441 4.696 1.131 1.00 0.00 C ATOM 1058 CE LYS A 156 71.791 5.027 1.771 1.00 0.00 C ATOM 1059 NZ LYS A 156 72.755 5.063 0.636 1.00 0.00 N ATOM 0 H LYS A 156 66.026 6.105 2.539 1.00 0.00 H new ATOM 0 HA LYS A 156 67.515 6.896 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.711 5.280 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 156 68.049 4.167 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 156 69.457 6.557 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 156 69.727 6.329 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 156 70.068 3.746 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 156 70.556 4.581 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 156 71.757 5.984 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 156 72.075 4.274 2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 73.706 5.285 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 72.770 4.136 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 72.463 5.793 -0.044 1.00 0.00 H new ATOM 1073 N MET A 157 65.838 4.137 -0.305 1.00 0.00 N ATOM 1074 CA MET A 157 65.418 3.262 -1.436 1.00 0.00 C ATOM 1075 C MET A 157 64.597 4.069 -2.451 1.00 0.00 C ATOM 1076 O MET A 157 64.799 3.970 -3.645 1.00 0.00 O ATOM 1077 CB MET A 157 64.598 2.137 -0.768 1.00 0.00 C ATOM 1078 CG MET A 157 63.123 2.188 -1.189 1.00 0.00 C ATOM 1079 SD MET A 157 62.326 0.618 -0.771 1.00 0.00 S ATOM 1080 CE MET A 157 61.113 1.281 0.394 1.00 0.00 C ATOM 0 H MET A 157 65.439 3.897 0.603 1.00 0.00 H new ATOM 0 HA MET A 157 66.255 2.852 -2.002 1.00 0.00 H new ATOM 0 HB2 MET A 157 65.021 1.169 -1.037 1.00 0.00 H new ATOM 0 HB3 MET A 157 64.671 2.227 0.316 1.00 0.00 H new ATOM 0 HG2 MET A 157 62.617 3.011 -0.684 1.00 0.00 H new ATOM 0 HG3 MET A 157 63.045 2.375 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.389 0.995 1.409 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.091 2.368 0.317 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.127 0.880 0.160 1.00 0.00 H new ATOM 1090 N MET A 158 63.672 4.861 -1.986 1.00 0.00 N ATOM 1091 CA MET A 158 62.839 5.666 -2.927 1.00 0.00 C ATOM 1092 C MET A 158 63.535 6.991 -3.259 1.00 0.00 C ATOM 1093 O MET A 158 62.997 7.822 -3.961 1.00 0.00 O ATOM 1094 CB MET A 158 61.530 5.920 -2.179 1.00 0.00 C ATOM 1095 CG MET A 158 60.646 4.674 -2.258 1.00 0.00 C ATOM 1096 SD MET A 158 59.353 4.929 -3.499 1.00 0.00 S ATOM 1097 CE MET A 158 60.426 5.562 -4.812 1.00 0.00 C ATOM 0 H MET A 158 63.456 4.987 -0.997 1.00 0.00 H new ATOM 0 HA MET A 158 62.676 5.151 -3.874 1.00 0.00 H new ATOM 0 HB2 MET A 158 61.736 6.167 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 158 61.011 6.775 -2.613 1.00 0.00 H new ATOM 0 HG2 MET A 158 61.248 3.804 -2.518 1.00 0.00 H new ATOM 0 HG3 MET A 158 60.197 4.471 -1.286 1.00 0.00 H new ATOM 0 HE1 MET A 158 59.864 5.623 -5.744 1.00 0.00 H new ATOM 0 HE2 MET A 158 60.787 6.554 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 158 61.275 4.891 -4.944 1.00 0.00 H new