USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 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: C 106 LYS NZ :NH3+ 180:sc= -0.243 (180deg=-1.15) USER MOD Set 1.2: C 107 ASN : amide:sc= -0.57 K(o=-0.81,f=-19!) USER MOD Set 2.1: C 98 SER OG : rot -58:sc= 1.2 USER MOD Set 2.2: C 150 TYR OH : rot 180:sc= 0.993 USER MOD Single : C 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ 177:sc= 1.87 (180deg=1.65) USER MOD Single : C 120 MET CE :methyl -165:sc= -0.726 (180deg=-1.8!) USER MOD Single : C 122 GLN : amide:sc= -0.761 K(o=-0.76,f=-4.5!) USER MOD Single : C 124 THR OG1 : rot 103:sc= 1.12 USER MOD Single : C 127 THR OG1 : rot 149:sc= 1.44 USER MOD Single : C 129 THR OG1 : rot 180:sc= 0.102 USER MOD Single : C 137 MET CE :methyl -160:sc= -1.35 (180deg=-2.42) USER MOD Single : C 138 LYS NZ :NH3+ -170:sc= 2.25 (180deg=2.13) USER MOD Single : C 142 LYS NZ :NH3+ 158:sc= 2.44 (180deg=0.487!) USER MOD Single : C 143 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.11) USER MOD Single : C 144 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : C 157 MET CE :methyl -165:sc= -0.829 (180deg=-0.978) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 9.016 -3.369 -7.032 1.00 0.00 N ATOM 61 CA GLU C 94 8.273 -3.742 -8.291 1.00 0.00 C ATOM 62 C GLU C 94 7.515 -2.533 -8.871 1.00 0.00 C ATOM 63 O GLU C 94 7.653 -2.234 -10.048 1.00 0.00 O ATOM 64 CB GLU C 94 7.273 -4.814 -7.841 1.00 0.00 C ATOM 65 CG GLU C 94 8.030 -6.088 -7.399 1.00 0.00 C ATOM 66 CD GLU C 94 7.055 -7.162 -6.939 1.00 0.00 C ATOM 67 OE1 GLU C 94 6.027 -6.832 -6.399 1.00 0.00 O ATOM 68 OE2 GLU C 94 7.351 -8.305 -7.126 1.00 0.00 O1- ATOM 0 HA GLU C 94 8.950 -4.088 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU C 94 6.668 -4.436 -7.017 1.00 0.00 H new ATOM 0 HB3 GLU C 94 6.589 -5.051 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU C 94 8.630 -6.466 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU C 94 8.719 -5.845 -6.590 1.00 0.00 H new ATOM 75 N GLU C 95 6.770 -1.809 -8.065 1.00 0.00 N ATOM 76 CA GLU C 95 6.062 -0.594 -8.610 1.00 0.00 C ATOM 77 C GLU C 95 7.084 0.521 -8.889 1.00 0.00 C ATOM 78 O GLU C 95 7.005 1.212 -9.900 1.00 0.00 O ATOM 79 CB GLU C 95 5.034 -0.153 -7.542 1.00 0.00 C ATOM 80 CG GLU C 95 3.903 -1.213 -7.389 1.00 0.00 C ATOM 81 CD GLU C 95 4.237 -2.281 -6.340 1.00 0.00 C ATOM 82 OE1 GLU C 95 5.296 -2.253 -5.771 1.00 0.00 O ATOM 83 OE2 GLU C 95 3.396 -3.134 -6.118 1.00 0.00 O1- ATOM 0 H GLU C 95 6.621 -1.998 -7.074 1.00 0.00 H new ATOM 0 HA GLU C 95 5.556 -0.815 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU C 95 5.536 -0.010 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU C 95 4.602 0.808 -7.822 1.00 0.00 H new ATOM 0 HG2 GLU C 95 2.976 -0.712 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU C 95 3.729 -1.695 -8.351 1.00 0.00 H new ATOM 90 N GLU C 96 8.062 0.684 -8.013 1.00 0.00 N ATOM 91 CA GLU C 96 9.107 1.747 -8.230 1.00 0.00 C ATOM 92 C GLU C 96 9.919 1.443 -9.504 1.00 0.00 C ATOM 93 O GLU C 96 10.250 2.345 -10.263 1.00 0.00 O ATOM 94 CB GLU C 96 9.990 1.740 -6.963 1.00 0.00 C ATOM 95 CG GLU C 96 9.130 2.183 -5.745 1.00 0.00 C ATOM 96 CD GLU C 96 9.962 2.284 -4.463 1.00 0.00 C ATOM 97 OE1 GLU C 96 10.975 1.642 -4.361 1.00 0.00 O1- ATOM 98 OE2 GLU C 96 9.527 2.992 -3.570 1.00 0.00 O ATOM 0 H GLU C 96 8.179 0.130 -7.165 1.00 0.00 H new ATOM 0 HA GLU C 96 8.667 2.733 -8.380 1.00 0.00 H new ATOM 0 HB2 GLU C 96 10.398 0.743 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU C 96 10.837 2.414 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU C 96 8.671 3.149 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU C 96 8.319 1.471 -5.596 1.00 0.00 H new ATOM 105 N LEU C 97 10.184 0.178 -9.782 1.00 0.00 N ATOM 106 CA LEU C 97 10.915 -0.195 -11.044 1.00 0.00 C ATOM 107 C LEU C 97 10.242 0.434 -12.256 1.00 0.00 C ATOM 108 O LEU C 97 10.911 0.988 -13.123 1.00 0.00 O ATOM 109 CB LEU C 97 10.770 -1.735 -11.142 1.00 0.00 C ATOM 110 CG LEU C 97 11.280 -2.242 -12.508 1.00 0.00 C ATOM 111 CD1 LEU C 97 12.777 -2.046 -12.627 1.00 0.00 C ATOM 112 CD2 LEU C 97 10.943 -3.718 -12.660 1.00 0.00 C ATOM 0 H LEU C 97 9.925 -0.610 -9.188 1.00 0.00 H new ATOM 0 HA LEU C 97 11.951 0.143 -11.023 1.00 0.00 H new ATOM 0 HB2 LEU C 97 11.332 -2.211 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU C 97 9.725 -2.017 -11.010 1.00 0.00 H new ATOM 0 HG LEU C 97 10.792 -1.670 -13.297 1.00 0.00 H new ATOM 0 HD11 LEU C 97 13.116 -2.410 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU C 97 13.014 -0.986 -12.534 1.00 0.00 H new ATOM 0 HD13 LEU C 97 13.281 -2.601 -11.835 1.00 0.00 H new ATOM 0 HD21 LEU C 97 11.303 -4.076 -13.625 1.00 0.00 H new ATOM 0 HD22 LEU C 97 11.421 -4.285 -11.861 1.00 0.00 H new ATOM 0 HD23 LEU C 97 9.863 -3.852 -12.603 1.00 0.00 H new ATOM 124 N SER C 98 8.941 0.319 -12.356 1.00 0.00 N ATOM 125 CA SER C 98 8.251 0.863 -13.554 1.00 0.00 C ATOM 126 C SER C 98 8.474 2.383 -13.655 1.00 0.00 C ATOM 127 O SER C 98 8.789 2.901 -14.726 1.00 0.00 O ATOM 128 CB SER C 98 6.767 0.549 -13.343 1.00 0.00 C ATOM 129 OG SER C 98 6.601 -0.841 -13.035 1.00 0.00 O ATOM 0 H SER C 98 8.336 -0.124 -11.665 1.00 0.00 H new ATOM 0 HA SER C 98 8.629 0.425 -14.478 1.00 0.00 H new ATOM 0 HB2 SER C 98 6.369 1.160 -12.533 1.00 0.00 H new ATOM 0 HB3 SER C 98 6.202 0.802 -14.240 1.00 0.00 H new ATOM 0 HG SER C 98 6.974 -1.384 -13.761 1.00 0.00 H new ATOM 135 N ASP C 99 8.354 3.103 -12.547 1.00 0.00 N ATOM 136 CA ASP C 99 8.593 4.585 -12.600 1.00 0.00 C ATOM 137 C ASP C 99 10.067 4.870 -12.901 1.00 0.00 C ATOM 138 O ASP C 99 10.394 5.708 -13.749 1.00 0.00 O ATOM 139 CB ASP C 99 8.221 5.133 -11.217 1.00 0.00 C ATOM 140 CG ASP C 99 7.967 6.610 -11.359 1.00 0.00 C ATOM 141 OD1 ASP C 99 8.919 7.362 -11.409 1.00 0.00 O ATOM 142 OD2 ASP C 99 6.824 6.982 -11.501 1.00 0.00 O1- ATOM 0 H ASP C 99 8.106 2.731 -11.630 1.00 0.00 H new ATOM 0 HA ASP C 99 7.999 5.054 -13.384 1.00 0.00 H new ATOM 0 HB2 ASP C 99 7.335 4.628 -10.832 1.00 0.00 H new ATOM 0 HB3 ASP C 99 9.026 4.951 -10.505 1.00 0.00 H new ATOM 147 N LEU C 100 10.968 4.155 -12.248 1.00 0.00 N ATOM 148 CA LEU C 100 12.433 4.371 -12.517 1.00 0.00 C ATOM 149 C LEU C 100 12.750 4.074 -13.974 1.00 0.00 C ATOM 150 O LEU C 100 13.477 4.813 -14.604 1.00 0.00 O ATOM 151 CB LEU C 100 13.210 3.418 -11.586 1.00 0.00 C ATOM 152 CG LEU C 100 12.985 3.807 -10.107 1.00 0.00 C ATOM 153 CD1 LEU C 100 13.814 2.890 -9.212 1.00 0.00 C ATOM 154 CD2 LEU C 100 13.431 5.260 -9.872 1.00 0.00 C ATOM 0 H LEU C 100 10.754 3.442 -11.551 1.00 0.00 H new ATOM 0 HA LEU C 100 12.716 5.406 -12.327 1.00 0.00 H new ATOM 0 HB2 LEU C 100 12.884 2.391 -11.752 1.00 0.00 H new ATOM 0 HB3 LEU C 100 14.274 3.457 -11.821 1.00 0.00 H new ATOM 0 HG LEU C 100 11.925 3.707 -9.871 1.00 0.00 H new ATOM 0 HD11 LEU C 100 13.658 3.162 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU C 100 13.507 1.856 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU C 100 14.870 2.997 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU C 100 13.269 5.526 -8.827 1.00 0.00 H new ATOM 0 HD22 LEU C 100 14.490 5.359 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU C 100 12.851 5.926 -10.510 1.00 0.00 H new ATOM 166 N PHE C 101 12.170 3.044 -14.550 1.00 0.00 N ATOM 167 CA PHE C 101 12.438 2.789 -16.006 1.00 0.00 C ATOM 168 C PHE C 101 12.008 4.020 -16.822 1.00 0.00 C ATOM 169 O PHE C 101 12.717 4.459 -17.708 1.00 0.00 O ATOM 170 CB PHE C 101 11.607 1.558 -16.404 1.00 0.00 C ATOM 171 CG PHE C 101 11.956 1.177 -17.828 1.00 0.00 C ATOM 172 CD1 PHE C 101 13.108 0.426 -18.094 1.00 0.00 C ATOM 173 CD2 PHE C 101 11.136 1.588 -18.884 1.00 0.00 C ATOM 174 CE1 PHE C 101 13.436 0.086 -19.412 1.00 0.00 C ATOM 175 CE2 PHE C 101 11.464 1.245 -20.198 1.00 0.00 C ATOM 176 CZ PHE C 101 12.614 0.498 -20.463 1.00 0.00 C ATOM 0 H PHE C 101 11.540 2.386 -14.091 1.00 0.00 H new ATOM 0 HA PHE C 101 13.496 2.609 -16.197 1.00 0.00 H new ATOM 0 HB2 PHE C 101 11.814 0.728 -15.729 1.00 0.00 H new ATOM 0 HB3 PHE C 101 10.543 1.778 -16.322 1.00 0.00 H new ATOM 0 HD1 PHE C 101 13.744 0.109 -17.281 1.00 0.00 H new ATOM 0 HD2 PHE C 101 10.249 2.171 -18.684 1.00 0.00 H new ATOM 0 HE1 PHE C 101 14.324 -0.494 -19.616 1.00 0.00 H new ATOM 0 HE2 PHE C 101 10.826 1.558 -21.011 1.00 0.00 H new ATOM 0 HZ PHE C 101 12.867 0.239 -21.480 1.00 0.00 H new ATOM 186 N ARG C 102 10.864 4.601 -16.496 1.00 0.00 N ATOM 187 CA ARG C 102 10.392 5.821 -17.243 1.00 0.00 C ATOM 188 C ARG C 102 11.436 6.958 -17.152 1.00 0.00 C ATOM 189 O ARG C 102 11.628 7.684 -18.101 1.00 0.00 O ATOM 190 CB ARG C 102 9.078 6.242 -16.567 1.00 0.00 C ATOM 191 CG ARG C 102 8.368 7.313 -17.418 1.00 0.00 C ATOM 192 CD ARG C 102 7.153 7.879 -16.656 1.00 0.00 C ATOM 193 NE ARG C 102 7.738 8.847 -15.670 1.00 0.00 N ATOM 194 CZ ARG C 102 7.831 8.523 -14.405 1.00 0.00 C ATOM 195 NH1 ARG C 102 6.758 8.533 -13.661 1.00 0.00 N ATOM 196 NH2 ARG C 102 8.995 8.180 -13.909 1.00 0.00 N1+ ATOM 0 H ARG C 102 10.244 4.284 -15.751 1.00 0.00 H new ATOM 0 HA ARG C 102 10.250 5.609 -18.303 1.00 0.00 H new ATOM 0 HB2 ARG C 102 8.429 5.375 -16.443 1.00 0.00 H new ATOM 0 HB3 ARG C 102 9.281 6.633 -15.570 1.00 0.00 H new ATOM 0 HG2 ARG C 102 9.063 8.118 -17.657 1.00 0.00 H new ATOM 0 HG3 ARG C 102 8.044 6.880 -18.364 1.00 0.00 H new ATOM 0 HD2 ARG C 102 6.457 8.375 -17.333 1.00 0.00 H new ATOM 0 HD3 ARG C 102 6.598 7.088 -16.152 1.00 0.00 H new ATOM 0 HE ARG C 102 8.064 9.760 -15.986 1.00 0.00 H new ATOM 0 HH11 ARG C 102 5.859 8.792 -14.067 1.00 0.00 H new ATOM 0 HH12 ARG C 102 6.819 8.282 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG C 102 9.821 8.167 -14.508 1.00 0.00 H new ATOM 0 HH22 ARG C 102 9.075 7.926 -12.924 1.00 0.00 H new ATOM 210 N MET C 103 12.095 7.146 -16.015 1.00 0.00 N ATOM 211 CA MET C 103 13.114 8.267 -15.949 1.00 0.00 C ATOM 212 C MET C 103 14.377 7.924 -16.777 1.00 0.00 C ATOM 213 O MET C 103 15.009 8.810 -17.323 1.00 0.00 O ATOM 214 CB MET C 103 13.442 8.567 -14.455 1.00 0.00 C ATOM 215 CG MET C 103 14.064 7.361 -13.749 1.00 0.00 C ATOM 216 SD MET C 103 15.131 7.932 -12.408 1.00 0.00 S ATOM 217 CE MET C 103 16.660 8.070 -13.373 1.00 0.00 C ATOM 0 H MET C 103 11.979 6.597 -15.163 1.00 0.00 H new ATOM 0 HA MET C 103 12.698 9.170 -16.396 1.00 0.00 H new ATOM 0 HB2 MET C 103 14.127 9.413 -14.397 1.00 0.00 H new ATOM 0 HB3 MET C 103 12.529 8.860 -13.936 1.00 0.00 H new ATOM 0 HG2 MET C 103 13.281 6.714 -13.354 1.00 0.00 H new ATOM 0 HG3 MET C 103 14.640 6.768 -14.459 1.00 0.00 H new ATOM 0 HE1 MET C 103 17.468 8.415 -12.728 1.00 0.00 H new ATOM 0 HE2 MET C 103 16.918 7.095 -13.787 1.00 0.00 H new ATOM 0 HE3 MET C 103 16.515 8.783 -14.185 1.00 0.00 H new ATOM 227 N PHE C 104 14.763 6.657 -16.854 1.00 0.00 N ATOM 228 CA PHE C 104 16.004 6.281 -17.658 1.00 0.00 C ATOM 229 C PHE C 104 15.833 6.558 -19.165 1.00 0.00 C ATOM 230 O PHE C 104 16.787 6.935 -19.837 1.00 0.00 O ATOM 231 CB PHE C 104 16.267 4.779 -17.421 1.00 0.00 C ATOM 232 CG PHE C 104 16.979 4.580 -16.096 1.00 0.00 C ATOM 233 CD1 PHE C 104 18.331 4.928 -15.979 1.00 0.00 C ATOM 234 CD2 PHE C 104 16.304 4.047 -14.996 1.00 0.00 C ATOM 235 CE1 PHE C 104 19.003 4.749 -14.771 1.00 0.00 C ATOM 236 CE2 PHE C 104 16.976 3.866 -13.780 1.00 0.00 C ATOM 237 CZ PHE C 104 18.327 4.218 -13.668 1.00 0.00 C ATOM 0 H PHE C 104 14.285 5.876 -16.405 1.00 0.00 H new ATOM 0 HA PHE C 104 16.844 6.891 -17.327 1.00 0.00 H new ATOM 0 HB2 PHE C 104 15.324 4.232 -17.423 1.00 0.00 H new ATOM 0 HB3 PHE C 104 16.872 4.375 -18.233 1.00 0.00 H new ATOM 0 HD1 PHE C 104 18.856 5.337 -16.830 1.00 0.00 H new ATOM 0 HD2 PHE C 104 15.263 3.774 -15.083 1.00 0.00 H new ATOM 0 HE1 PHE C 104 20.045 5.020 -14.687 1.00 0.00 H new ATOM 0 HE2 PHE C 104 16.452 3.455 -12.929 1.00 0.00 H new ATOM 0 HZ PHE C 104 18.846 4.080 -12.731 1.00 0.00 H new ATOM 247 N ASP C 105 14.662 6.324 -19.727 1.00 0.00 N ATOM 248 CA ASP C 105 14.504 6.533 -21.213 1.00 0.00 C ATOM 249 C ASP C 105 14.284 8.027 -21.497 1.00 0.00 C ATOM 250 O ASP C 105 13.241 8.584 -21.192 1.00 0.00 O ATOM 251 CB ASP C 105 13.262 5.724 -21.608 1.00 0.00 C ATOM 252 CG ASP C 105 13.115 5.737 -23.108 1.00 0.00 C ATOM 253 OD1 ASP C 105 14.027 5.327 -23.790 1.00 0.00 O1- ATOM 254 OD2 ASP C 105 12.107 6.145 -23.566 1.00 0.00 O ATOM 0 H ASP C 105 13.827 6.005 -19.236 1.00 0.00 H new ATOM 0 HA ASP C 105 15.382 6.216 -21.775 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.352 4.699 -21.249 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.374 6.148 -21.140 1.00 0.00 H new ATOM 259 N LYS C 106 15.277 8.689 -22.042 1.00 0.00 N ATOM 260 CA LYS C 106 15.161 10.179 -22.312 1.00 0.00 C ATOM 261 C LYS C 106 14.209 10.498 -23.489 1.00 0.00 C ATOM 262 O LYS C 106 13.595 11.544 -23.511 1.00 0.00 O ATOM 263 CB LYS C 106 16.605 10.678 -22.607 1.00 0.00 C ATOM 264 CG LYS C 106 17.125 10.098 -23.939 1.00 0.00 C ATOM 265 CD LYS C 106 18.612 10.482 -24.132 1.00 0.00 C ATOM 266 CE LYS C 106 19.171 10.129 -25.562 1.00 0.00 C ATOM 267 NZ LYS C 106 18.049 9.576 -26.388 1.00 0.00 N1+ ATOM 0 H LYS C 106 16.167 8.272 -22.315 1.00 0.00 H new ATOM 0 HA LYS C 106 14.727 10.686 -21.450 1.00 0.00 H new ATOM 0 HB2 LYS C 106 16.616 11.767 -22.651 1.00 0.00 H new ATOM 0 HB3 LYS C 106 17.269 10.385 -21.794 1.00 0.00 H new ATOM 0 HG2 LYS C 106 17.017 9.013 -23.941 1.00 0.00 H new ATOM 0 HG3 LYS C 106 16.531 10.479 -24.769 1.00 0.00 H new ATOM 0 HD2 LYS C 106 18.728 11.552 -23.959 1.00 0.00 H new ATOM 0 HD3 LYS C 106 19.212 9.970 -23.379 1.00 0.00 H new ATOM 0 HE2 LYS C 106 19.588 11.018 -26.036 1.00 0.00 H new ATOM 0 HE3 LYS C 106 19.978 9.401 -25.484 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 18.401 9.337 -27.337 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 17.672 8.720 -25.933 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 17.294 10.287 -26.468 1.00 0.00 H new ATOM 281 N ASN C 107 14.146 9.649 -24.502 1.00 0.00 N ATOM 282 CA ASN C 107 13.285 9.990 -25.711 1.00 0.00 C ATOM 283 C ASN C 107 11.841 9.515 -25.555 1.00 0.00 C ATOM 284 O ASN C 107 11.079 9.590 -26.506 1.00 0.00 O ATOM 285 CB ASN C 107 13.934 9.277 -26.916 1.00 0.00 C ATOM 286 CG ASN C 107 14.998 10.174 -27.539 1.00 0.00 C ATOM 287 OD1 ASN C 107 15.836 10.717 -26.836 1.00 0.00 O ATOM 288 ND2 ASN C 107 15.028 10.354 -28.822 1.00 0.00 N ATOM 0 H ASN C 107 14.637 8.756 -24.551 1.00 0.00 H new ATOM 0 HA ASN C 107 13.241 11.072 -25.836 1.00 0.00 H new ATOM 0 HB2 ASN C 107 14.382 8.336 -26.595 1.00 0.00 H new ATOM 0 HB3 ASN C 107 13.173 9.032 -27.657 1.00 0.00 H new ATOM 0 HD21 ASN C 107 15.748 10.945 -29.237 1.00 0.00 H new ATOM 0 HD22 ASN C 107 14.332 9.904 -29.417 1.00 0.00 H new ATOM 295 N ALA C 108 11.467 8.953 -24.414 1.00 0.00 N ATOM 296 CA ALA C 108 10.081 8.373 -24.236 1.00 0.00 C ATOM 297 C ALA C 108 9.810 7.269 -25.301 1.00 0.00 C ATOM 298 O ALA C 108 8.679 6.824 -25.461 1.00 0.00 O ATOM 299 CB ALA C 108 9.086 9.542 -24.392 1.00 0.00 C ATOM 0 H ALA C 108 12.068 8.872 -23.594 1.00 0.00 H new ATOM 0 HA ALA C 108 9.976 7.904 -23.258 1.00 0.00 H new ATOM 0 HB1 ALA C 108 8.068 9.172 -24.271 1.00 0.00 H new ATOM 0 HB2 ALA C 108 9.290 10.297 -23.633 1.00 0.00 H new ATOM 0 HB3 ALA C 108 9.196 9.984 -25.382 1.00 0.00 H new ATOM 305 N ASP C 109 10.850 6.757 -25.957 1.00 0.00 N ATOM 306 CA ASP C 109 10.684 5.610 -26.918 1.00 0.00 C ATOM 307 C ASP C 109 10.309 4.326 -26.142 1.00 0.00 C ATOM 308 O ASP C 109 9.641 3.450 -26.667 1.00 0.00 O ATOM 309 CB ASP C 109 12.027 5.464 -27.707 1.00 0.00 C ATOM 310 CG ASP C 109 13.206 5.178 -26.788 1.00 0.00 C ATOM 311 OD1 ASP C 109 13.437 4.081 -26.464 1.00 0.00 O1- ATOM 312 OD2 ASP C 109 13.892 6.070 -26.423 1.00 0.00 O ATOM 0 H ASP C 109 11.808 7.093 -25.861 1.00 0.00 H new ATOM 0 HA ASP C 109 9.875 5.790 -27.626 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.933 4.659 -28.435 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.219 6.379 -28.267 1.00 0.00 H new ATOM 317 N GLY C 110 10.703 4.223 -24.896 1.00 0.00 N ATOM 318 CA GLY C 110 10.335 3.029 -24.060 1.00 0.00 C ATOM 319 C GLY C 110 11.482 2.003 -24.011 1.00 0.00 C ATOM 320 O GLY C 110 11.387 1.003 -23.309 1.00 0.00 O ATOM 0 H GLY C 110 11.270 4.921 -24.414 1.00 0.00 H new ATOM 0 HA2 GLY C 110 10.091 3.353 -23.048 1.00 0.00 H new ATOM 0 HA3 GLY C 110 9.441 2.558 -24.469 1.00 0.00 H new ATOM 324 N TYR C 111 12.557 2.228 -24.729 1.00 0.00 N ATOM 325 CA TYR C 111 13.712 1.271 -24.710 1.00 0.00 C ATOM 326 C TYR C 111 14.940 2.037 -24.236 1.00 0.00 C ATOM 327 O TYR C 111 15.175 3.186 -24.688 1.00 0.00 O ATOM 328 CB TYR C 111 13.938 0.852 -26.183 1.00 0.00 C ATOM 329 CG TYR C 111 12.643 0.399 -26.815 1.00 0.00 C ATOM 330 CD1 TYR C 111 12.154 -0.890 -26.586 1.00 0.00 C ATOM 331 CD2 TYR C 111 11.928 1.289 -27.629 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.952 -1.287 -27.170 1.00 0.00 C ATOM 333 CE2 TYR C 111 10.733 0.891 -28.209 1.00 0.00 C ATOM 334 CZ TYR C 111 10.239 -0.398 -27.983 1.00 0.00 C ATOM 335 OH TYR C 111 9.047 -0.800 -28.563 1.00 0.00 O ATOM 0 H TYR C 111 12.686 3.040 -25.333 1.00 0.00 H new ATOM 0 HA TYR C 111 13.532 0.411 -24.065 1.00 0.00 H new ATOM 0 HB2 TYR C 111 14.349 1.690 -26.746 1.00 0.00 H new ATOM 0 HB3 TYR C 111 14.672 0.047 -26.229 1.00 0.00 H new ATOM 0 HD1 TYR C 111 12.705 -1.576 -25.959 1.00 0.00 H new ATOM 0 HD2 TYR C 111 12.308 2.285 -27.804 1.00 0.00 H new ATOM 0 HE1 TYR C 111 10.570 -2.282 -26.995 1.00 0.00 H new ATOM 0 HE2 TYR C 111 10.183 1.577 -28.836 1.00 0.00 H new ATOM 0 HH TYR C 111 8.678 -0.065 -29.096 1.00 0.00 H new ATOM 345 N ILE C 112 15.802 1.415 -23.470 1.00 0.00 N ATOM 346 CA ILE C 112 17.057 2.116 -23.109 1.00 0.00 C ATOM 347 C ILE C 112 17.988 1.912 -24.300 1.00 0.00 C ATOM 348 O ILE C 112 18.423 0.788 -24.609 1.00 0.00 O ATOM 349 CB ILE C 112 17.613 1.416 -21.837 1.00 0.00 C ATOM 350 CG1 ILE C 112 16.548 1.364 -20.716 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.818 2.200 -21.316 1.00 0.00 C ATOM 352 CD1 ILE C 112 15.970 2.766 -20.464 1.00 0.00 C ATOM 0 H ILE C 112 15.690 0.475 -23.090 1.00 0.00 H new ATOM 0 HA ILE C 112 16.935 3.179 -22.902 1.00 0.00 H new ATOM 0 HB ILE C 112 17.895 0.399 -22.108 1.00 0.00 H new ATOM 0 HG12 ILE C 112 15.748 0.678 -20.996 1.00 0.00 H new ATOM 0 HG13 ILE C 112 16.993 0.977 -19.800 1.00 0.00 H new ATOM 0 HG21 ILE C 112 19.211 1.713 -20.424 1.00 0.00 H new ATOM 0 HG22 ILE C 112 19.591 2.231 -22.083 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.512 3.216 -21.069 1.00 0.00 H new ATOM 0 HD11 ILE C 112 15.222 2.714 -19.673 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.771 3.441 -20.163 1.00 0.00 H new ATOM 0 HD13 ILE C 112 15.507 3.138 -21.378 1.00 0.00 H new ATOM 364 N ASP C 113 18.190 2.962 -25.030 1.00 0.00 N ATOM 365 CA ASP C 113 18.991 2.905 -26.288 1.00 0.00 C ATOM 366 C ASP C 113 20.454 3.021 -25.951 1.00 0.00 C ATOM 367 O ASP C 113 20.818 3.616 -24.939 1.00 0.00 O ATOM 368 CB ASP C 113 18.553 4.128 -27.114 1.00 0.00 C ATOM 369 CG ASP C 113 17.070 4.032 -27.450 1.00 0.00 C ATOM 370 OD1 ASP C 113 16.748 3.377 -28.396 1.00 0.00 O ATOM 371 OD2 ASP C 113 16.266 4.622 -26.733 1.00 0.00 O1- ATOM 0 H ASP C 113 17.825 3.888 -24.806 1.00 0.00 H new ATOM 0 HA ASP C 113 18.837 1.973 -26.831 1.00 0.00 H new ATOM 0 HB2 ASP C 113 18.748 5.043 -26.554 1.00 0.00 H new ATOM 0 HB3 ASP C 113 19.138 4.185 -28.032 1.00 0.00 H new ATOM 376 N LEU C 114 21.318 2.528 -26.815 1.00 0.00 N ATOM 377 CA LEU C 114 22.790 2.685 -26.560 1.00 0.00 C ATOM 378 C LEU C 114 23.113 4.175 -26.340 1.00 0.00 C ATOM 379 O LEU C 114 23.858 4.518 -25.441 1.00 0.00 O ATOM 380 CB LEU C 114 23.507 2.170 -27.831 1.00 0.00 C ATOM 381 CG LEU C 114 25.028 2.294 -27.637 1.00 0.00 C ATOM 382 CD1 LEU C 114 25.506 1.309 -26.577 1.00 0.00 C ATOM 383 CD2 LEU C 114 25.754 2.006 -28.949 1.00 0.00 C ATOM 0 H LEU C 114 21.072 2.032 -27.672 1.00 0.00 H new ATOM 0 HA LEU C 114 23.110 2.133 -25.676 1.00 0.00 H new ATOM 0 HB2 LEU C 114 23.236 1.132 -28.021 1.00 0.00 H new ATOM 0 HB3 LEU C 114 23.191 2.746 -28.701 1.00 0.00 H new ATOM 0 HG LEU C 114 25.250 3.311 -27.315 1.00 0.00 H new ATOM 0 HD11 LEU C 114 26.584 1.407 -26.449 1.00 0.00 H new ATOM 0 HD12 LEU C 114 25.008 1.522 -25.631 1.00 0.00 H new ATOM 0 HD13 LEU C 114 25.269 0.293 -26.891 1.00 0.00 H new ATOM 0 HD21 LEU C 114 26.830 2.097 -28.797 1.00 0.00 H new ATOM 0 HD22 LEU C 114 25.519 0.995 -29.281 1.00 0.00 H new ATOM 0 HD23 LEU C 114 25.433 2.720 -29.707 1.00 0.00 H new ATOM 395 N ASP C 115 22.515 5.061 -27.121 1.00 0.00 N ATOM 396 CA ASP C 115 22.756 6.535 -26.920 1.00 0.00 C ATOM 397 C ASP C 115 22.316 6.960 -25.510 1.00 0.00 C ATOM 398 O ASP C 115 23.012 7.694 -24.832 1.00 0.00 O ATOM 399 CB ASP C 115 21.885 7.245 -27.964 1.00 0.00 C ATOM 400 CG ASP C 115 22.158 8.731 -27.899 1.00 0.00 C ATOM 401 OD1 ASP C 115 23.167 9.150 -28.427 1.00 0.00 O ATOM 402 OD2 ASP C 115 21.360 9.433 -27.338 1.00 0.00 O1- ATOM 0 H ASP C 115 21.877 4.827 -27.881 1.00 0.00 H new ATOM 0 HA ASP C 115 23.812 6.784 -27.028 1.00 0.00 H new ATOM 0 HB2 ASP C 115 22.106 6.864 -28.961 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.830 7.047 -27.773 1.00 0.00 H new ATOM 407 N GLU C 116 21.194 6.463 -25.049 1.00 0.00 N ATOM 408 CA GLU C 116 20.736 6.803 -23.661 1.00 0.00 C ATOM 409 C GLU C 116 21.742 6.230 -22.651 1.00 0.00 C ATOM 410 O GLU C 116 22.145 6.919 -21.721 1.00 0.00 O ATOM 411 CB GLU C 116 19.345 6.149 -23.532 1.00 0.00 C ATOM 412 CG GLU C 116 18.386 6.854 -24.521 1.00 0.00 C ATOM 413 CD GLU C 116 16.977 6.267 -24.503 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.788 5.183 -24.080 1.00 0.00 O ATOM 415 OE2 GLU C 116 16.100 6.891 -24.981 1.00 0.00 O1- ATOM 0 H GLU C 116 20.577 5.839 -25.569 1.00 0.00 H new ATOM 0 HA GLU C 116 20.675 7.874 -23.469 1.00 0.00 H new ATOM 0 HB2 GLU C 116 19.404 5.083 -23.754 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.974 6.242 -22.511 1.00 0.00 H new ATOM 0 HG2 GLU C 116 18.335 7.915 -24.276 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.793 6.779 -25.530 1.00 0.00 H new ATOM 422 N LEU C 117 22.252 5.030 -22.900 1.00 0.00 N ATOM 423 CA LEU C 117 23.343 4.488 -22.016 1.00 0.00 C ATOM 424 C LEU C 117 24.574 5.391 -22.159 1.00 0.00 C ATOM 425 O LEU C 117 25.199 5.755 -21.180 1.00 0.00 O ATOM 426 CB LEU C 117 23.672 3.072 -22.547 1.00 0.00 C ATOM 427 CG LEU C 117 22.442 2.150 -22.447 1.00 0.00 C ATOM 428 CD1 LEU C 117 22.769 0.800 -23.074 1.00 0.00 C ATOM 429 CD2 LEU C 117 22.080 1.933 -20.974 1.00 0.00 C ATOM 0 H LEU C 117 21.963 4.418 -23.663 1.00 0.00 H new ATOM 0 HA LEU C 117 23.046 4.453 -20.968 1.00 0.00 H new ATOM 0 HB2 LEU C 117 24.001 3.135 -23.584 1.00 0.00 H new ATOM 0 HB3 LEU C 117 24.498 2.647 -21.976 1.00 0.00 H new ATOM 0 HG LEU C 117 21.605 2.612 -22.970 1.00 0.00 H new ATOM 0 HD11 LEU C 117 21.900 0.146 -23.004 1.00 0.00 H new ATOM 0 HD12 LEU C 117 23.034 0.940 -24.122 1.00 0.00 H new ATOM 0 HD13 LEU C 117 23.607 0.347 -22.545 1.00 0.00 H new ATOM 0 HD21 LEU C 117 21.210 1.280 -20.906 1.00 0.00 H new ATOM 0 HD22 LEU C 117 22.921 1.471 -20.457 1.00 0.00 H new ATOM 0 HD23 LEU C 117 21.851 2.893 -20.510 1.00 0.00 H new ATOM 441 N LYS C 118 24.891 5.789 -23.379 1.00 0.00 N ATOM 442 CA LYS C 118 26.066 6.687 -23.628 1.00 0.00 C ATOM 443 C LYS C 118 25.915 7.975 -22.820 1.00 0.00 C ATOM 444 O LYS C 118 26.816 8.359 -22.084 1.00 0.00 O ATOM 445 CB LYS C 118 25.985 6.989 -25.156 1.00 0.00 C ATOM 446 CG LYS C 118 26.917 8.141 -25.561 1.00 0.00 C ATOM 447 CD LYS C 118 26.083 9.294 -26.160 1.00 0.00 C ATOM 448 CE LYS C 118 26.496 9.544 -27.628 1.00 0.00 C ATOM 449 NZ LYS C 118 25.678 8.598 -28.432 1.00 0.00 N1+ ATOM 0 H LYS C 118 24.376 5.523 -24.218 1.00 0.00 H new ATOM 0 HA LYS C 118 27.017 6.241 -23.338 1.00 0.00 H new ATOM 0 HB2 LYS C 118 26.249 6.093 -25.718 1.00 0.00 H new ATOM 0 HB3 LYS C 118 24.959 7.241 -25.423 1.00 0.00 H new ATOM 0 HG2 LYS C 118 27.474 8.494 -24.693 1.00 0.00 H new ATOM 0 HG3 LYS C 118 27.649 7.791 -26.289 1.00 0.00 H new ATOM 0 HD2 LYS C 118 25.022 9.050 -26.110 1.00 0.00 H new ATOM 0 HD3 LYS C 118 26.229 10.201 -25.574 1.00 0.00 H new ATOM 0 HE2 LYS C 118 26.304 10.576 -27.920 1.00 0.00 H new ATOM 0 HE3 LYS C 118 27.561 9.364 -27.773 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 25.869 8.747 -29.443 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 25.923 7.621 -28.174 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 24.669 8.763 -28.242 1.00 0.00 H new ATOM 463 N ILE C 119 24.782 8.626 -22.921 1.00 0.00 N ATOM 464 CA ILE C 119 24.587 9.896 -22.158 1.00 0.00 C ATOM 465 C ILE C 119 24.744 9.662 -20.649 1.00 0.00 C ATOM 466 O ILE C 119 25.414 10.443 -19.971 1.00 0.00 O ATOM 467 CB ILE C 119 23.180 10.420 -22.546 1.00 0.00 C ATOM 468 CG1 ILE C 119 23.173 10.749 -24.050 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.831 11.687 -21.753 1.00 0.00 C ATOM 470 CD1 ILE C 119 21.810 11.284 -24.463 1.00 0.00 C ATOM 0 H ILE C 119 23.990 8.335 -23.494 1.00 0.00 H new ATOM 0 HA ILE C 119 25.343 10.641 -22.407 1.00 0.00 H new ATOM 0 HB ILE C 119 22.441 9.653 -22.316 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.944 11.487 -24.272 1.00 0.00 H new ATOM 0 HG13 ILE C 119 23.411 9.855 -24.627 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.840 12.036 -22.042 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.840 11.463 -20.686 1.00 0.00 H new ATOM 0 HG23 ILE C 119 23.565 12.464 -21.966 1.00 0.00 H new ATOM 0 HD11 ILE C 119 21.817 11.513 -25.529 1.00 0.00 H new ATOM 0 HD12 ILE C 119 21.047 10.533 -24.258 1.00 0.00 H new ATOM 0 HD13 ILE C 119 21.588 12.190 -23.898 1.00 0.00 H new ATOM 482 N MET C 120 24.180 8.592 -20.100 1.00 0.00 N ATOM 483 CA MET C 120 24.383 8.375 -18.620 1.00 0.00 C ATOM 484 C MET C 120 25.855 8.137 -18.336 1.00 0.00 C ATOM 485 O MET C 120 26.393 8.684 -17.386 1.00 0.00 O ATOM 486 CB MET C 120 23.632 7.109 -18.215 1.00 0.00 C ATOM 487 CG MET C 120 22.123 7.259 -18.394 1.00 0.00 C ATOM 488 SD MET C 120 21.271 6.044 -17.332 1.00 0.00 S ATOM 489 CE MET C 120 22.474 4.674 -17.437 1.00 0.00 C ATOM 0 H MET C 120 23.617 7.895 -20.586 1.00 0.00 H new ATOM 0 HA MET C 120 24.027 9.248 -18.073 1.00 0.00 H new ATOM 0 HB2 MET C 120 23.987 6.270 -18.813 1.00 0.00 H new ATOM 0 HB3 MET C 120 23.852 6.874 -17.174 1.00 0.00 H new ATOM 0 HG2 MET C 120 21.812 8.270 -18.132 1.00 0.00 H new ATOM 0 HG3 MET C 120 21.851 7.102 -19.438 1.00 0.00 H new ATOM 0 HE1 MET C 120 22.012 3.755 -17.076 1.00 0.00 H new ATOM 0 HE2 MET C 120 22.785 4.541 -18.473 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.345 4.907 -16.824 1.00 0.00 H new ATOM 499 N LEU C 121 26.517 7.311 -19.119 1.00 0.00 N ATOM 500 CA LEU C 121 27.966 7.012 -18.823 1.00 0.00 C ATOM 501 C LEU C 121 28.815 8.266 -18.970 1.00 0.00 C ATOM 502 O LEU C 121 29.682 8.522 -18.147 1.00 0.00 O ATOM 503 CB LEU C 121 28.410 5.905 -19.806 1.00 0.00 C ATOM 504 CG LEU C 121 27.562 4.615 -19.604 1.00 0.00 C ATOM 505 CD1 LEU C 121 28.142 3.483 -20.429 1.00 0.00 C ATOM 506 CD2 LEU C 121 27.543 4.183 -18.132 1.00 0.00 C ATOM 0 H LEU C 121 26.129 6.838 -19.935 1.00 0.00 H new ATOM 0 HA LEU C 121 28.093 6.673 -17.795 1.00 0.00 H new ATOM 0 HB2 LEU C 121 28.304 6.259 -20.832 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.466 5.679 -19.654 1.00 0.00 H new ATOM 0 HG LEU C 121 26.543 4.837 -19.922 1.00 0.00 H new ATOM 0 HD11 LEU C 121 27.544 2.583 -20.283 1.00 0.00 H new ATOM 0 HD12 LEU C 121 28.132 3.759 -21.483 1.00 0.00 H new ATOM 0 HD13 LEU C 121 29.168 3.292 -20.114 1.00 0.00 H new ATOM 0 HD21 LEU C 121 26.942 3.280 -18.026 1.00 0.00 H new ATOM 0 HD22 LEU C 121 28.561 3.983 -17.798 1.00 0.00 H new ATOM 0 HD23 LEU C 121 27.112 4.979 -17.525 1.00 0.00 H new ATOM 518 N GLN C 122 28.539 9.087 -19.962 1.00 0.00 N ATOM 519 CA GLN C 122 29.307 10.378 -20.109 1.00 0.00 C ATOM 520 C GLN C 122 29.092 11.263 -18.868 1.00 0.00 C ATOM 521 O GLN C 122 30.009 11.919 -18.415 1.00 0.00 O ATOM 522 CB GLN C 122 28.725 11.082 -21.355 1.00 0.00 C ATOM 523 CG GLN C 122 29.042 10.285 -22.638 1.00 0.00 C ATOM 524 CD GLN C 122 28.332 10.934 -23.838 1.00 0.00 C ATOM 525 OE1 GLN C 122 27.204 11.379 -23.731 1.00 0.00 O ATOM 526 NE2 GLN C 122 28.936 11.016 -24.976 1.00 0.00 N ATOM 0 H GLN C 122 27.824 8.924 -20.671 1.00 0.00 H new ATOM 0 HA GLN C 122 30.377 10.195 -20.210 1.00 0.00 H new ATOM 0 HB2 GLN C 122 27.646 11.189 -21.246 1.00 0.00 H new ATOM 0 HB3 GLN C 122 29.138 12.087 -21.436 1.00 0.00 H new ATOM 0 HG2 GLN C 122 30.118 10.263 -22.808 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.716 9.251 -22.526 1.00 0.00 H new ATOM 0 HE21 GLN C 122 29.881 10.647 -25.079 1.00 0.00 H new ATOM 0 HE22 GLN C 122 28.468 11.450 -25.772 1.00 0.00 H new ATOM 535 N ALA C 123 27.893 11.274 -18.305 1.00 0.00 N ATOM 536 CA ALA C 123 27.644 12.116 -17.082 1.00 0.00 C ATOM 537 C ALA C 123 28.182 11.394 -15.846 1.00 0.00 C ATOM 538 O ALA C 123 28.819 11.982 -15.004 1.00 0.00 O ATOM 539 CB ALA C 123 26.121 12.278 -16.993 1.00 0.00 C ATOM 0 H ALA C 123 27.089 10.742 -18.637 1.00 0.00 H new ATOM 0 HA ALA C 123 28.141 13.084 -17.138 1.00 0.00 H new ATOM 0 HB1 ALA C 123 25.870 12.883 -16.122 1.00 0.00 H new ATOM 0 HB2 ALA C 123 25.754 12.770 -17.894 1.00 0.00 H new ATOM 0 HB3 ALA C 123 25.656 11.297 -16.900 1.00 0.00 H new ATOM 545 N THR C 124 27.896 10.127 -15.740 1.00 0.00 N ATOM 546 CA THR C 124 28.355 9.305 -14.573 1.00 0.00 C ATOM 547 C THR C 124 29.908 9.241 -14.530 1.00 0.00 C ATOM 548 O THR C 124 30.501 9.216 -13.466 1.00 0.00 O ATOM 549 CB THR C 124 27.723 7.909 -14.817 1.00 0.00 C ATOM 550 OG1 THR C 124 26.304 8.039 -14.978 1.00 0.00 O ATOM 551 CG2 THR C 124 27.972 7.009 -13.641 1.00 0.00 C ATOM 0 H THR C 124 27.350 9.609 -16.428 1.00 0.00 H new ATOM 0 HA THR C 124 28.053 9.721 -13.612 1.00 0.00 H new ATOM 0 HB THR C 124 28.174 7.485 -15.714 1.00 0.00 H new ATOM 0 HG1 THR C 124 26.075 7.968 -15.928 1.00 0.00 H new ATOM 0 HG21 THR C 124 27.522 6.034 -13.828 1.00 0.00 H new ATOM 0 HG22 THR C 124 29.046 6.892 -13.494 1.00 0.00 H new ATOM 0 HG23 THR C 124 27.529 7.448 -12.747 1.00 0.00 H new ATOM 559 N GLY C 125 30.556 9.194 -15.672 1.00 0.00 N ATOM 560 CA GLY C 125 32.049 9.081 -15.694 1.00 0.00 C ATOM 561 C GLY C 125 32.448 7.610 -15.920 1.00 0.00 C ATOM 562 O GLY C 125 33.439 7.141 -15.381 1.00 0.00 O ATOM 0 H GLY C 125 30.113 9.229 -16.590 1.00 0.00 H new ATOM 0 HA2 GLY C 125 32.460 9.707 -16.486 1.00 0.00 H new ATOM 0 HA3 GLY C 125 32.466 9.442 -14.754 1.00 0.00 H new ATOM 566 N GLU C 126 31.708 6.903 -16.752 1.00 0.00 N ATOM 567 CA GLU C 126 32.047 5.474 -17.082 1.00 0.00 C ATOM 568 C GLU C 126 32.838 5.474 -18.409 1.00 0.00 C ATOM 569 O GLU C 126 33.336 6.519 -18.838 1.00 0.00 O ATOM 570 CB GLU C 126 30.686 4.764 -17.256 1.00 0.00 C ATOM 571 CG GLU C 126 29.844 4.877 -15.959 1.00 0.00 C ATOM 572 CD GLU C 126 30.586 4.288 -14.761 1.00 0.00 C ATOM 573 OE1 GLU C 126 31.086 3.191 -14.866 1.00 0.00 O ATOM 574 OE2 GLU C 126 30.604 4.929 -13.756 1.00 0.00 O1- ATOM 0 H GLU C 126 30.875 7.260 -17.221 1.00 0.00 H new ATOM 0 HA GLU C 126 32.649 4.978 -16.320 1.00 0.00 H new ATOM 0 HB2 GLU C 126 30.142 5.208 -18.090 1.00 0.00 H new ATOM 0 HB3 GLU C 126 30.846 3.714 -17.502 1.00 0.00 H new ATOM 0 HG2 GLU C 126 29.610 5.924 -15.765 1.00 0.00 H new ATOM 0 HG3 GLU C 126 28.895 4.358 -16.093 1.00 0.00 H new ATOM 581 N THR C 127 32.987 4.343 -19.065 1.00 0.00 N ATOM 582 CA THR C 127 33.776 4.334 -20.340 1.00 0.00 C ATOM 583 C THR C 127 33.067 5.234 -21.384 1.00 0.00 C ATOM 584 O THR C 127 31.926 5.007 -21.766 1.00 0.00 O ATOM 585 CB THR C 127 33.813 2.857 -20.825 1.00 0.00 C ATOM 586 OG1 THR C 127 33.362 1.965 -19.790 1.00 0.00 O ATOM 587 CG2 THR C 127 35.251 2.482 -21.211 1.00 0.00 C ATOM 0 H THR C 127 32.604 3.442 -18.778 1.00 0.00 H new ATOM 0 HA THR C 127 34.787 4.716 -20.198 1.00 0.00 H new ATOM 0 HB THR C 127 33.151 2.762 -21.686 1.00 0.00 H new ATOM 0 HG1 THR C 127 32.929 1.185 -20.196 1.00 0.00 H new ATOM 0 HG21 THR C 127 35.278 1.447 -21.551 1.00 0.00 H new ATOM 0 HG22 THR C 127 35.595 3.136 -22.012 1.00 0.00 H new ATOM 0 HG23 THR C 127 35.902 2.596 -20.344 1.00 0.00 H new ATOM 595 N ILE C 128 33.743 6.274 -21.816 1.00 0.00 N ATOM 596 CA ILE C 128 33.154 7.228 -22.824 1.00 0.00 C ATOM 597 C ILE C 128 32.968 6.512 -24.187 1.00 0.00 C ATOM 598 O ILE C 128 32.097 6.868 -24.970 1.00 0.00 O ATOM 599 CB ILE C 128 34.188 8.390 -22.953 1.00 0.00 C ATOM 600 CG1 ILE C 128 34.473 9.034 -21.570 1.00 0.00 C ATOM 601 CG2 ILE C 128 33.643 9.479 -23.883 1.00 0.00 C ATOM 602 CD1 ILE C 128 33.159 9.419 -20.878 1.00 0.00 C ATOM 0 H ILE C 128 34.688 6.508 -21.512 1.00 0.00 H new ATOM 0 HA ILE C 128 32.175 7.595 -22.517 1.00 0.00 H new ATOM 0 HB ILE C 128 35.109 7.970 -23.358 1.00 0.00 H new ATOM 0 HG12 ILE C 128 35.030 8.336 -20.945 1.00 0.00 H new ATOM 0 HG13 ILE C 128 35.098 9.918 -21.695 1.00 0.00 H new ATOM 0 HG21 ILE C 128 34.372 10.285 -23.966 1.00 0.00 H new ATOM 0 HG22 ILE C 128 33.457 9.055 -24.870 1.00 0.00 H new ATOM 0 HG23 ILE C 128 32.712 9.873 -23.476 1.00 0.00 H new ATOM 0 HD11 ILE C 128 33.376 9.869 -19.909 1.00 0.00 H new ATOM 0 HD12 ILE C 128 32.618 10.134 -21.497 1.00 0.00 H new ATOM 0 HD13 ILE C 128 32.548 8.528 -20.735 1.00 0.00 H new ATOM 614 N THR C 129 33.813 5.562 -24.494 1.00 0.00 N ATOM 615 CA THR C 129 33.739 4.859 -25.807 1.00 0.00 C ATOM 616 C THR C 129 32.397 4.094 -25.912 1.00 0.00 C ATOM 617 O THR C 129 32.158 3.140 -25.183 1.00 0.00 O ATOM 618 CB THR C 129 34.958 3.878 -25.785 1.00 0.00 C ATOM 619 OG1 THR C 129 35.412 3.671 -24.420 1.00 0.00 O ATOM 620 CG2 THR C 129 36.113 4.475 -26.598 1.00 0.00 C ATOM 0 H THR C 129 34.562 5.240 -23.881 1.00 0.00 H new ATOM 0 HA THR C 129 33.779 5.532 -26.664 1.00 0.00 H new ATOM 0 HB THR C 129 34.646 2.926 -26.215 1.00 0.00 H new ATOM 0 HG1 THR C 129 36.174 3.054 -24.419 1.00 0.00 H new ATOM 0 HG21 THR C 129 36.961 3.791 -26.582 1.00 0.00 H new ATOM 0 HG22 THR C 129 35.791 4.630 -27.628 1.00 0.00 H new ATOM 0 HG23 THR C 129 36.409 5.430 -26.163 1.00 0.00 H new ATOM 628 N GLU C 130 31.527 4.497 -26.829 1.00 0.00 N ATOM 629 CA GLU C 130 30.211 3.775 -26.987 1.00 0.00 C ATOM 630 C GLU C 130 30.458 2.317 -27.399 1.00 0.00 C ATOM 631 O GLU C 130 29.708 1.442 -27.038 1.00 0.00 O ATOM 632 CB GLU C 130 29.392 4.537 -28.037 1.00 0.00 C ATOM 633 CG GLU C 130 29.039 5.929 -27.490 1.00 0.00 C ATOM 634 CD GLU C 130 28.025 6.583 -28.391 1.00 0.00 C ATOM 635 OE1 GLU C 130 26.856 6.287 -28.249 1.00 0.00 O ATOM 636 OE2 GLU C 130 28.404 7.402 -29.181 1.00 0.00 O1- ATOM 0 H GLU C 130 31.671 5.282 -27.464 1.00 0.00 H new ATOM 0 HA GLU C 130 29.658 3.747 -26.048 1.00 0.00 H new ATOM 0 HB2 GLU C 130 29.961 4.630 -28.962 1.00 0.00 H new ATOM 0 HB3 GLU C 130 28.483 3.986 -28.276 1.00 0.00 H new ATOM 0 HG2 GLU C 130 28.641 5.843 -26.479 1.00 0.00 H new ATOM 0 HG3 GLU C 130 29.936 6.545 -27.428 1.00 0.00 H new ATOM 643 N ASP C 131 31.551 2.049 -28.083 1.00 0.00 N ATOM 644 CA ASP C 131 31.935 0.619 -28.414 1.00 0.00 C ATOM 645 C ASP C 131 32.048 -0.200 -27.106 1.00 0.00 C ATOM 646 O ASP C 131 31.541 -1.303 -27.020 1.00 0.00 O ATOM 647 CB ASP C 131 33.320 0.686 -29.158 1.00 0.00 C ATOM 648 CG ASP C 131 34.292 1.669 -28.493 1.00 0.00 C ATOM 649 OD1 ASP C 131 34.088 2.863 -28.648 1.00 0.00 O ATOM 650 OD2 ASP C 131 35.215 1.241 -27.878 1.00 0.00 O1- ATOM 0 H ASP C 131 32.199 2.756 -28.430 1.00 0.00 H new ATOM 0 HA ASP C 131 31.189 0.133 -29.043 1.00 0.00 H new ATOM 0 HB2 ASP C 131 33.768 -0.307 -29.177 1.00 0.00 H new ATOM 0 HB3 ASP C 131 33.159 0.983 -30.194 1.00 0.00 H new ATOM 655 N ASP C 132 32.599 0.378 -26.050 1.00 0.00 N ATOM 656 CA ASP C 132 32.569 -0.330 -24.713 1.00 0.00 C ATOM 657 C ASP C 132 31.104 -0.379 -24.214 1.00 0.00 C ATOM 658 O ASP C 132 30.610 -1.402 -23.750 1.00 0.00 O ATOM 659 CB ASP C 132 33.423 0.531 -23.760 1.00 0.00 C ATOM 660 CG ASP C 132 33.487 -0.143 -22.403 1.00 0.00 C ATOM 661 OD1 ASP C 132 34.378 -0.928 -22.193 1.00 0.00 O1- ATOM 662 OD2 ASP C 132 32.651 0.154 -21.571 1.00 0.00 O ATOM 0 H ASP C 132 33.058 1.289 -26.053 1.00 0.00 H new ATOM 0 HA ASP C 132 32.951 -1.349 -24.771 1.00 0.00 H new ATOM 0 HB2 ASP C 132 34.427 0.656 -24.165 1.00 0.00 H new ATOM 0 HB3 ASP C 132 32.991 1.527 -23.665 1.00 0.00 H new ATOM 667 N ILE C 133 30.394 0.733 -24.353 1.00 0.00 N ATOM 668 CA ILE C 133 28.943 0.812 -23.914 1.00 0.00 C ATOM 669 C ILE C 133 28.086 -0.227 -24.670 1.00 0.00 C ATOM 670 O ILE C 133 27.220 -0.883 -24.070 1.00 0.00 O ATOM 671 CB ILE C 133 28.492 2.261 -24.263 1.00 0.00 C ATOM 672 CG1 ILE C 133 29.387 3.282 -23.532 1.00 0.00 C ATOM 673 CG2 ILE C 133 27.023 2.502 -23.866 1.00 0.00 C ATOM 674 CD1 ILE C 133 28.929 4.705 -23.849 1.00 0.00 C ATOM 0 H ILE C 133 30.760 1.596 -24.755 1.00 0.00 H new ATOM 0 HA ILE C 133 28.825 0.594 -22.853 1.00 0.00 H new ATOM 0 HB ILE C 133 28.586 2.387 -25.342 1.00 0.00 H new ATOM 0 HG12 ILE C 133 29.345 3.109 -22.457 1.00 0.00 H new ATOM 0 HG13 ILE C 133 30.425 3.150 -23.836 1.00 0.00 H new ATOM 0 HG21 ILE C 133 26.739 3.523 -24.123 1.00 0.00 H new ATOM 0 HG22 ILE C 133 26.382 1.802 -24.401 1.00 0.00 H new ATOM 0 HG23 ILE C 133 26.907 2.353 -22.793 1.00 0.00 H new ATOM 0 HD11 ILE C 133 29.568 5.418 -23.328 1.00 0.00 H new ATOM 0 HD12 ILE C 133 28.994 4.877 -24.923 1.00 0.00 H new ATOM 0 HD13 ILE C 133 27.897 4.836 -23.523 1.00 0.00 H new ATOM 686 N GLU C 134 28.286 -0.393 -25.971 1.00 0.00 N ATOM 687 CA GLU C 134 27.449 -1.391 -26.703 1.00 0.00 C ATOM 688 C GLU C 134 27.696 -2.793 -26.161 1.00 0.00 C ATOM 689 O GLU C 134 26.798 -3.617 -26.175 1.00 0.00 O ATOM 690 CB GLU C 134 27.755 -1.293 -28.223 1.00 0.00 C ATOM 691 CG GLU C 134 29.202 -1.658 -28.543 1.00 0.00 C ATOM 692 CD GLU C 134 29.304 -2.103 -29.984 1.00 0.00 C ATOM 693 OE1 GLU C 134 29.084 -3.280 -30.242 1.00 0.00 O ATOM 694 OE2 GLU C 134 29.594 -1.275 -30.815 1.00 0.00 O1- ATOM 0 H GLU C 134 28.974 0.108 -26.533 1.00 0.00 H new ATOM 0 HA GLU C 134 26.392 -1.173 -26.550 1.00 0.00 H new ATOM 0 HB2 GLU C 134 27.085 -1.956 -28.771 1.00 0.00 H new ATOM 0 HB3 GLU C 134 27.553 -0.279 -28.568 1.00 0.00 H new ATOM 0 HG2 GLU C 134 29.851 -0.800 -28.370 1.00 0.00 H new ATOM 0 HG3 GLU C 134 29.542 -2.454 -27.881 1.00 0.00 H new ATOM 701 N GLU C 135 28.890 -3.091 -25.653 1.00 0.00 N ATOM 702 CA GLU C 135 29.108 -4.457 -25.079 1.00 0.00 C ATOM 703 C GLU C 135 28.227 -4.619 -23.840 1.00 0.00 C ATOM 704 O GLU C 135 27.533 -5.613 -23.710 1.00 0.00 O ATOM 705 CB GLU C 135 30.606 -4.574 -24.761 1.00 0.00 C ATOM 706 CG GLU C 135 31.011 -6.064 -24.870 1.00 0.00 C ATOM 707 CD GLU C 135 30.909 -6.530 -26.334 1.00 0.00 C ATOM 708 OE1 GLU C 135 31.218 -5.750 -27.228 1.00 0.00 O1- ATOM 709 OE2 GLU C 135 30.530 -7.638 -26.548 1.00 0.00 O ATOM 0 H GLU C 135 29.691 -2.461 -25.617 1.00 0.00 H new ATOM 0 HA GLU C 135 28.832 -5.253 -25.770 1.00 0.00 H new ATOM 0 HB2 GLU C 135 31.190 -3.970 -25.456 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.812 -4.197 -23.759 1.00 0.00 H new ATOM 0 HG2 GLU C 135 32.029 -6.200 -24.506 1.00 0.00 H new ATOM 0 HG3 GLU C 135 30.363 -6.673 -24.240 1.00 0.00 H new ATOM 716 N LEU C 136 28.103 -3.577 -23.020 1.00 0.00 N ATOM 717 CA LEU C 136 27.109 -3.643 -21.880 1.00 0.00 C ATOM 718 C LEU C 136 25.702 -3.817 -22.487 1.00 0.00 C ATOM 719 O LEU C 136 24.896 -4.591 -22.005 1.00 0.00 O ATOM 720 CB LEU C 136 27.197 -2.285 -21.121 1.00 0.00 C ATOM 721 CG LEU C 136 28.393 -2.246 -20.125 1.00 0.00 C ATOM 722 CD1 LEU C 136 28.174 -3.242 -18.992 1.00 0.00 C ATOM 723 CD2 LEU C 136 29.715 -2.567 -20.825 1.00 0.00 C ATOM 0 H LEU C 136 28.633 -2.709 -23.090 1.00 0.00 H new ATOM 0 HA LEU C 136 27.314 -4.470 -21.200 1.00 0.00 H new ATOM 0 HB2 LEU C 136 27.300 -1.474 -21.842 1.00 0.00 H new ATOM 0 HB3 LEU C 136 26.268 -2.113 -20.578 1.00 0.00 H new ATOM 0 HG LEU C 136 28.447 -1.235 -19.722 1.00 0.00 H new ATOM 0 HD11 LEU C 136 29.019 -3.202 -18.304 1.00 0.00 H new ATOM 0 HD12 LEU C 136 27.259 -2.989 -18.457 1.00 0.00 H new ATOM 0 HD13 LEU C 136 28.088 -4.248 -19.403 1.00 0.00 H new ATOM 0 HD21 LEU C 136 30.529 -2.531 -20.100 1.00 0.00 H new ATOM 0 HD22 LEU C 136 29.662 -3.564 -21.262 1.00 0.00 H new ATOM 0 HD23 LEU C 136 29.897 -1.835 -21.612 1.00 0.00 H new ATOM 735 N MET C 137 25.429 -3.136 -23.588 1.00 0.00 N ATOM 736 CA MET C 137 24.109 -3.317 -24.285 1.00 0.00 C ATOM 737 C MET C 137 23.964 -4.772 -24.783 1.00 0.00 C ATOM 738 O MET C 137 22.917 -5.364 -24.637 1.00 0.00 O ATOM 739 CB MET C 137 24.102 -2.272 -25.446 1.00 0.00 C ATOM 740 CG MET C 137 23.590 -2.879 -26.765 1.00 0.00 C ATOM 741 SD MET C 137 23.303 -1.550 -27.961 1.00 0.00 S ATOM 742 CE MET C 137 21.834 -0.836 -27.167 1.00 0.00 C ATOM 0 H MET C 137 26.062 -2.468 -24.028 1.00 0.00 H new ATOM 0 HA MET C 137 23.257 -3.150 -23.627 1.00 0.00 H new ATOM 0 HB2 MET C 137 23.474 -1.426 -25.168 1.00 0.00 H new ATOM 0 HB3 MET C 137 25.111 -1.886 -25.592 1.00 0.00 H new ATOM 0 HG2 MET C 137 24.318 -3.588 -27.159 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.667 -3.433 -26.590 1.00 0.00 H new ATOM 0 HE1 MET C 137 21.280 -0.241 -27.894 1.00 0.00 H new ATOM 0 HE2 MET C 137 21.197 -1.637 -26.793 1.00 0.00 H new ATOM 0 HE3 MET C 137 22.142 -0.200 -26.337 1.00 0.00 H new ATOM 752 N LYS C 138 25.015 -5.353 -25.339 1.00 0.00 N ATOM 753 CA LYS C 138 24.921 -6.789 -25.801 1.00 0.00 C ATOM 754 C LYS C 138 24.606 -7.695 -24.590 1.00 0.00 C ATOM 755 O LYS C 138 23.751 -8.554 -24.673 1.00 0.00 O ATOM 756 CB LYS C 138 26.301 -7.141 -26.420 1.00 0.00 C ATOM 757 CG LYS C 138 26.260 -7.003 -27.982 1.00 0.00 C ATOM 758 CD LYS C 138 26.915 -5.685 -28.473 1.00 0.00 C ATOM 759 CE LYS C 138 28.332 -5.542 -27.893 1.00 0.00 C ATOM 760 NZ LYS C 138 29.279 -5.549 -29.026 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.918 -4.904 -25.491 1.00 0.00 H new ATOM 0 HA LYS C 138 24.128 -6.934 -26.535 1.00 0.00 H new ATOM 0 HB2 LYS C 138 27.067 -6.482 -26.012 1.00 0.00 H new ATOM 0 HB3 LYS C 138 26.578 -8.159 -26.147 1.00 0.00 H new ATOM 0 HG2 LYS C 138 26.774 -7.852 -28.433 1.00 0.00 H new ATOM 0 HG3 LYS C 138 25.225 -7.040 -28.321 1.00 0.00 H new ATOM 0 HD2 LYS C 138 26.958 -5.677 -29.562 1.00 0.00 H new ATOM 0 HD3 LYS C 138 26.304 -4.834 -28.172 1.00 0.00 H new ATOM 0 HE2 LYS C 138 28.422 -4.616 -27.324 1.00 0.00 H new ATOM 0 HE3 LYS C 138 28.550 -6.360 -27.207 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 30.251 -5.625 -28.665 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 29.075 -6.360 -29.644 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 29.178 -4.667 -29.568 1.00 0.00 H new ATOM 774 N ASP C 139 25.245 -7.466 -23.449 1.00 0.00 N ATOM 775 CA ASP C 139 24.887 -8.274 -22.218 1.00 0.00 C ATOM 776 C ASP C 139 23.443 -7.978 -21.807 1.00 0.00 C ATOM 777 O ASP C 139 22.713 -8.857 -21.390 1.00 0.00 O ATOM 778 CB ASP C 139 25.830 -7.800 -21.101 1.00 0.00 C ATOM 779 CG ASP C 139 25.542 -8.598 -19.835 1.00 0.00 C ATOM 780 OD1 ASP C 139 25.988 -9.725 -19.747 1.00 0.00 O ATOM 781 OD2 ASP C 139 24.870 -8.071 -18.976 1.00 0.00 O1- ATOM 0 H ASP C 139 25.981 -6.772 -23.319 1.00 0.00 H new ATOM 0 HA ASP C 139 24.984 -9.343 -22.407 1.00 0.00 H new ATOM 0 HB2 ASP C 139 26.869 -7.935 -21.403 1.00 0.00 H new ATOM 0 HB3 ASP C 139 25.688 -6.735 -20.915 1.00 0.00 H new ATOM 786 N GLY C 140 23.053 -6.728 -21.850 1.00 0.00 N ATOM 787 CA GLY C 140 21.687 -6.324 -21.403 1.00 0.00 C ATOM 788 C GLY C 140 20.593 -6.802 -22.363 1.00 0.00 C ATOM 789 O GLY C 140 19.525 -7.224 -21.914 1.00 0.00 O ATOM 0 H GLY C 140 23.635 -5.959 -22.182 1.00 0.00 H new ATOM 0 HA2 GLY C 140 21.498 -6.731 -20.410 1.00 0.00 H new ATOM 0 HA3 GLY C 140 21.642 -5.238 -21.317 1.00 0.00 H new ATOM 793 N ASP C 141 20.792 -6.688 -23.666 1.00 0.00 N ATOM 794 CA ASP C 141 19.662 -7.010 -24.630 1.00 0.00 C ATOM 795 C ASP C 141 19.472 -8.522 -24.790 1.00 0.00 C ATOM 796 O ASP C 141 20.252 -9.196 -25.430 1.00 0.00 O ATOM 797 CB ASP C 141 20.074 -6.378 -25.979 1.00 0.00 C ATOM 798 CG ASP C 141 18.914 -6.382 -26.973 1.00 0.00 C ATOM 799 OD1 ASP C 141 17.784 -6.226 -26.561 1.00 0.00 O ATOM 800 OD2 ASP C 141 19.162 -6.515 -28.131 1.00 0.00 O1- ATOM 0 H ASP C 141 21.666 -6.393 -24.101 1.00 0.00 H new ATOM 0 HA ASP C 141 18.713 -6.618 -24.263 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.411 -5.355 -25.815 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.916 -6.928 -26.398 1.00 0.00 H new ATOM 805 N LYS C 142 18.418 -9.048 -24.220 1.00 0.00 N ATOM 806 CA LYS C 142 18.111 -10.525 -24.342 1.00 0.00 C ATOM 807 C LYS C 142 17.305 -10.815 -25.619 1.00 0.00 C ATOM 808 O LYS C 142 17.443 -11.864 -26.216 1.00 0.00 O ATOM 809 CB LYS C 142 17.258 -10.867 -23.108 1.00 0.00 C ATOM 810 CG LYS C 142 17.998 -10.475 -21.825 1.00 0.00 C ATOM 811 CD LYS C 142 19.253 -11.349 -21.655 1.00 0.00 C ATOM 812 CE LYS C 142 20.527 -10.479 -21.713 1.00 0.00 C ATOM 813 NZ LYS C 142 20.379 -9.461 -20.632 1.00 0.00 N1+ ATOM 0 H LYS C 142 17.743 -8.519 -23.667 1.00 0.00 H new ATOM 0 HA LYS C 142 19.026 -11.115 -24.396 1.00 0.00 H new ATOM 0 HB2 LYS C 142 16.304 -10.343 -23.160 1.00 0.00 H new ATOM 0 HB3 LYS C 142 17.035 -11.934 -23.096 1.00 0.00 H new ATOM 0 HG2 LYS C 142 18.280 -9.423 -21.865 1.00 0.00 H new ATOM 0 HG3 LYS C 142 17.340 -10.597 -20.964 1.00 0.00 H new ATOM 0 HD2 LYS C 142 19.209 -11.878 -20.703 1.00 0.00 H new ATOM 0 HD3 LYS C 142 19.286 -12.106 -22.439 1.00 0.00 H new ATOM 0 HE2 LYS C 142 21.420 -11.084 -21.559 1.00 0.00 H new ATOM 0 HE3 LYS C 142 20.629 -10.001 -22.687 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 21.316 -9.096 -20.368 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 19.785 -8.678 -20.972 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 19.932 -9.899 -19.801 1.00 0.00 H new ATOM 827 N ASN C 143 16.422 -9.911 -26.016 1.00 0.00 N ATOM 828 CA ASN C 143 15.563 -10.179 -27.236 1.00 0.00 C ATOM 829 C ASN C 143 16.329 -9.886 -28.536 1.00 0.00 C ATOM 830 O ASN C 143 15.770 -10.013 -29.612 1.00 0.00 O ATOM 831 CB ASN C 143 14.353 -9.233 -27.113 1.00 0.00 C ATOM 832 CG ASN C 143 13.228 -9.687 -28.060 1.00 0.00 C ATOM 833 OD1 ASN C 143 12.797 -10.828 -28.013 1.00 0.00 O ATOM 834 ND2 ASN C 143 12.716 -8.851 -28.904 1.00 0.00 N ATOM 0 H ASN C 143 16.260 -9.014 -25.558 1.00 0.00 H new ATOM 0 HA ASN C 143 15.264 -11.226 -27.277 1.00 0.00 H new ATOM 0 HB2 ASN C 143 13.992 -9.224 -26.085 1.00 0.00 H new ATOM 0 HB3 ASN C 143 14.653 -8.213 -27.355 1.00 0.00 H new ATOM 0 HD21 ASN C 143 11.960 -9.148 -29.521 1.00 0.00 H new ATOM 0 HD22 ASN C 143 13.068 -7.895 -28.952 1.00 0.00 H new ATOM 841 N ASN C 144 17.596 -9.454 -28.458 1.00 0.00 N ATOM 842 CA ASN C 144 18.390 -9.105 -29.699 1.00 0.00 C ATOM 843 C ASN C 144 17.616 -8.053 -30.509 1.00 0.00 C ATOM 844 O ASN C 144 17.570 -8.093 -31.735 1.00 0.00 O ATOM 845 CB ASN C 144 18.520 -10.423 -30.490 1.00 0.00 C ATOM 846 CG ASN C 144 19.560 -10.270 -31.596 1.00 0.00 C ATOM 847 OD1 ASN C 144 20.732 -10.112 -31.332 1.00 0.00 O ATOM 848 ND2 ASN C 144 19.186 -10.313 -32.840 1.00 0.00 N ATOM 0 H ASN C 144 18.105 -9.332 -27.582 1.00 0.00 H new ATOM 0 HA ASN C 144 19.371 -8.689 -29.470 1.00 0.00 H new ATOM 0 HB2 ASN C 144 18.808 -11.232 -29.819 1.00 0.00 H new ATOM 0 HB3 ASN C 144 17.556 -10.694 -30.921 1.00 0.00 H new ATOM 0 HD21 ASN C 144 19.877 -10.214 -33.584 1.00 0.00 H new ATOM 0 HD22 ASN C 144 18.202 -10.446 -33.072 1.00 0.00 H new ATOM 855 N ASP C 145 17.033 -7.095 -29.836 1.00 0.00 N ATOM 856 CA ASP C 145 16.287 -5.996 -30.537 1.00 0.00 C ATOM 857 C ASP C 145 17.149 -4.709 -30.639 1.00 0.00 C ATOM 858 O ASP C 145 16.672 -3.677 -31.105 1.00 0.00 O ATOM 859 CB ASP C 145 15.000 -5.760 -29.699 1.00 0.00 C ATOM 860 CG ASP C 145 15.339 -5.337 -28.289 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.686 -4.232 -28.093 1.00 0.00 O ATOM 862 OD2 ASP C 145 15.238 -6.130 -27.409 1.00 0.00 O1- ATOM 0 H ASP C 145 17.040 -7.023 -28.819 1.00 0.00 H new ATOM 0 HA ASP C 145 16.043 -6.268 -31.564 1.00 0.00 H new ATOM 0 HB2 ASP C 145 14.388 -4.994 -30.175 1.00 0.00 H new ATOM 0 HB3 ASP C 145 14.405 -6.673 -29.675 1.00 0.00 H new ATOM 867 N GLY C 146 18.396 -4.748 -30.211 1.00 0.00 N ATOM 868 CA GLY C 146 19.295 -3.546 -30.331 1.00 0.00 C ATOM 869 C GLY C 146 19.057 -2.530 -29.200 1.00 0.00 C ATOM 870 O GLY C 146 19.639 -1.458 -29.206 1.00 0.00 O ATOM 0 H GLY C 146 18.831 -5.565 -29.782 1.00 0.00 H new ATOM 0 HA2 GLY C 146 20.336 -3.869 -30.314 1.00 0.00 H new ATOM 0 HA3 GLY C 146 19.127 -3.063 -31.293 1.00 0.00 H new ATOM 874 N ARG C 147 18.212 -2.829 -28.246 1.00 0.00 N ATOM 875 CA ARG C 147 17.945 -1.868 -27.123 1.00 0.00 C ATOM 876 C ARG C 147 17.773 -2.650 -25.834 1.00 0.00 C ATOM 877 O ARG C 147 17.224 -3.776 -25.847 1.00 0.00 O ATOM 878 CB ARG C 147 16.603 -1.221 -27.460 1.00 0.00 C ATOM 879 CG ARG C 147 16.786 0.029 -28.351 1.00 0.00 C ATOM 880 CD ARG C 147 16.687 -0.304 -29.877 1.00 0.00 C ATOM 881 NE ARG C 147 15.738 -1.472 -30.038 1.00 0.00 N ATOM 882 CZ ARG C 147 14.478 -1.384 -29.664 1.00 0.00 C ATOM 883 NH1 ARG C 147 13.778 -0.312 -29.977 1.00 0.00 N1+ ATOM 884 NH2 ARG C 147 13.957 -2.341 -28.948 1.00 0.00 N ATOM 0 H ARG C 147 17.690 -3.704 -28.193 1.00 0.00 H new ATOM 0 HA ARG C 147 18.751 -1.144 -27.005 1.00 0.00 H new ATOM 0 HB2 ARG C 147 15.967 -1.944 -27.971 1.00 0.00 H new ATOM 0 HB3 ARG C 147 16.091 -0.941 -26.539 1.00 0.00 H new ATOM 0 HG2 ARG C 147 16.028 0.769 -28.094 1.00 0.00 H new ATOM 0 HG3 ARG C 147 17.756 0.481 -28.143 1.00 0.00 H new ATOM 0 HD2 ARG C 147 16.325 0.561 -30.433 1.00 0.00 H new ATOM 0 HD3 ARG C 147 17.670 -0.553 -30.278 1.00 0.00 H new ATOM 0 HE ARG C 147 16.080 -2.343 -30.443 1.00 0.00 H new ATOM 0 HH11 ARG C 147 14.212 0.444 -30.506 1.00 0.00 H new ATOM 0 HH12 ARG C 147 12.802 -0.239 -29.690 1.00 0.00 H new ATOM 0 HH21 ARG C 147 14.524 -3.147 -28.683 1.00 0.00 H new ATOM 0 HH22 ARG C 147 12.982 -2.284 -28.652 1.00 0.00 H new ATOM 898 N ILE C 148 18.050 -2.037 -24.713 1.00 0.00 N ATOM 899 CA ILE C 148 17.742 -2.717 -23.433 1.00 0.00 C ATOM 900 C ILE C 148 16.318 -2.282 -23.089 1.00 0.00 C ATOM 901 O ILE C 148 16.045 -1.097 -22.908 1.00 0.00 O ATOM 902 CB ILE C 148 18.763 -2.173 -22.383 1.00 0.00 C ATOM 903 CG1 ILE C 148 20.213 -2.236 -22.925 1.00 0.00 C ATOM 904 CG2 ILE C 148 18.694 -3.032 -21.112 1.00 0.00 C ATOM 905 CD1 ILE C 148 20.541 -3.653 -23.417 1.00 0.00 C ATOM 0 H ILE C 148 18.469 -1.110 -24.634 1.00 0.00 H new ATOM 0 HA ILE C 148 17.812 -3.804 -23.466 1.00 0.00 H new ATOM 0 HB ILE C 148 18.503 -1.136 -22.171 1.00 0.00 H new ATOM 0 HG12 ILE C 148 20.334 -1.524 -23.741 1.00 0.00 H new ATOM 0 HG13 ILE C 148 20.913 -1.945 -22.142 1.00 0.00 H new ATOM 0 HG21 ILE C 148 19.406 -2.654 -20.378 1.00 0.00 H new ATOM 0 HG22 ILE C 148 17.687 -2.988 -20.697 1.00 0.00 H new ATOM 0 HG23 ILE C 148 18.940 -4.065 -21.357 1.00 0.00 H new ATOM 0 HD11 ILE C 148 21.563 -3.680 -23.794 1.00 0.00 H new ATOM 0 HD12 ILE C 148 20.441 -4.357 -22.591 1.00 0.00 H new ATOM 0 HD13 ILE C 148 19.852 -3.930 -24.215 1.00 0.00 H new ATOM 917 N ASP C 149 15.404 -3.195 -23.078 1.00 0.00 N ATOM 918 CA ASP C 149 13.970 -2.833 -22.834 1.00 0.00 C ATOM 919 C ASP C 149 13.579 -3.144 -21.402 1.00 0.00 C ATOM 920 O ASP C 149 14.413 -3.522 -20.600 1.00 0.00 O ATOM 921 CB ASP C 149 13.042 -3.547 -23.897 1.00 0.00 C ATOM 922 CG ASP C 149 13.713 -4.713 -24.623 1.00 0.00 C ATOM 923 OD1 ASP C 149 14.674 -4.484 -25.352 1.00 0.00 O1- ATOM 924 OD2 ASP C 149 13.266 -5.800 -24.477 1.00 0.00 O ATOM 0 H ASP C 149 15.578 -4.189 -23.228 1.00 0.00 H new ATOM 0 HA ASP C 149 13.836 -1.759 -22.965 1.00 0.00 H new ATOM 0 HB2 ASP C 149 12.146 -3.912 -23.395 1.00 0.00 H new ATOM 0 HB3 ASP C 149 12.718 -2.812 -24.633 1.00 0.00 H new ATOM 929 N TYR C 150 12.355 -2.842 -21.036 1.00 0.00 N ATOM 930 CA TYR C 150 11.921 -2.933 -19.586 1.00 0.00 C ATOM 931 C TYR C 150 12.288 -4.296 -18.952 1.00 0.00 C ATOM 932 O TYR C 150 12.915 -4.339 -17.891 1.00 0.00 O ATOM 933 CB TYR C 150 10.386 -2.782 -19.648 1.00 0.00 C ATOM 934 CG TYR C 150 9.809 -2.644 -18.260 1.00 0.00 C ATOM 935 CD1 TYR C 150 9.744 -1.388 -17.666 1.00 0.00 C ATOM 936 CD2 TYR C 150 9.345 -3.771 -17.569 1.00 0.00 C ATOM 937 CE1 TYR C 150 9.205 -1.245 -16.397 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.805 -3.629 -16.292 1.00 0.00 C ATOM 939 CZ TYR C 150 8.742 -2.361 -15.704 1.00 0.00 C ATOM 940 OH TYR C 150 8.207 -2.205 -14.446 1.00 0.00 O ATOM 0 H TYR C 150 11.626 -2.533 -21.678 1.00 0.00 H new ATOM 0 HA TYR C 150 12.413 -2.178 -18.973 1.00 0.00 H new ATOM 0 HB2 TYR C 150 10.125 -1.908 -20.245 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.950 -3.649 -20.145 1.00 0.00 H new ATOM 0 HD1 TYR C 150 10.114 -0.522 -18.195 1.00 0.00 H new ATOM 0 HD2 TYR C 150 9.406 -4.748 -18.025 1.00 0.00 H new ATOM 0 HE1 TYR C 150 9.144 -0.266 -15.945 1.00 0.00 H new ATOM 0 HE2 TYR C 150 8.437 -4.493 -15.759 1.00 0.00 H new ATOM 0 HH TYR C 150 7.929 -3.078 -14.098 1.00 0.00 H new ATOM 950 N ASP C 151 11.909 -5.394 -19.568 1.00 0.00 N ATOM 951 CA ASP C 151 12.229 -6.747 -18.962 1.00 0.00 C ATOM 952 C ASP C 151 13.737 -6.978 -18.934 1.00 0.00 C ATOM 953 O ASP C 151 14.287 -7.418 -17.927 1.00 0.00 O ATOM 954 CB ASP C 151 11.512 -7.798 -19.850 1.00 0.00 C ATOM 955 CG ASP C 151 9.983 -7.643 -19.747 1.00 0.00 C ATOM 956 OD1 ASP C 151 9.502 -7.116 -18.755 1.00 0.00 O1- ATOM 957 OD2 ASP C 151 9.310 -8.050 -20.657 1.00 0.00 O ATOM 0 H ASP C 151 11.399 -5.422 -20.451 1.00 0.00 H new ATOM 0 HA ASP C 151 11.888 -6.816 -17.929 1.00 0.00 H new ATOM 0 HB2 ASP C 151 11.826 -7.680 -20.887 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.803 -8.802 -19.541 1.00 0.00 H new ATOM 962 N GLU C 152 14.427 -6.622 -20.000 1.00 0.00 N ATOM 963 CA GLU C 152 15.932 -6.752 -20.022 1.00 0.00 C ATOM 964 C GLU C 152 16.514 -5.803 -18.951 1.00 0.00 C ATOM 965 O GLU C 152 17.465 -6.122 -18.265 1.00 0.00 O ATOM 966 CB GLU C 152 16.346 -6.246 -21.417 1.00 0.00 C ATOM 967 CG GLU C 152 15.717 -7.123 -22.541 1.00 0.00 C ATOM 968 CD GLU C 152 16.152 -6.638 -23.915 1.00 0.00 C ATOM 969 OE1 GLU C 152 16.723 -5.614 -24.027 1.00 0.00 O ATOM 970 OE2 GLU C 152 15.884 -7.271 -24.872 1.00 0.00 O1- ATOM 0 H GLU C 152 14.016 -6.248 -20.855 1.00 0.00 H new ATOM 0 HA GLU C 152 16.278 -7.767 -19.827 1.00 0.00 H new ATOM 0 HB2 GLU C 152 16.030 -5.210 -21.540 1.00 0.00 H new ATOM 0 HB3 GLU C 152 17.432 -6.261 -21.505 1.00 0.00 H new ATOM 0 HG2 GLU C 152 16.016 -8.163 -22.407 1.00 0.00 H new ATOM 0 HG3 GLU C 152 14.630 -7.091 -22.467 1.00 0.00 H new ATOM 977 N PHE C 153 15.934 -4.628 -18.812 1.00 0.00 N ATOM 978 CA PHE C 153 16.418 -3.646 -17.796 1.00 0.00 C ATOM 979 C PHE C 153 16.277 -4.241 -16.395 1.00 0.00 C ATOM 980 O PHE C 153 17.174 -4.101 -15.576 1.00 0.00 O ATOM 981 CB PHE C 153 15.520 -2.401 -17.959 1.00 0.00 C ATOM 982 CG PHE C 153 16.031 -1.275 -17.083 1.00 0.00 C ATOM 983 CD1 PHE C 153 17.023 -0.415 -17.566 1.00 0.00 C ATOM 984 CD2 PHE C 153 15.509 -1.093 -15.795 1.00 0.00 C ATOM 985 CE1 PHE C 153 17.491 0.626 -16.765 1.00 0.00 C ATOM 986 CE2 PHE C 153 15.980 -0.050 -14.991 1.00 0.00 C ATOM 987 CZ PHE C 153 16.970 0.809 -15.478 1.00 0.00 C ATOM 0 H PHE C 153 15.139 -4.311 -19.367 1.00 0.00 H new ATOM 0 HA PHE C 153 17.469 -3.393 -17.934 1.00 0.00 H new ATOM 0 HB2 PHE C 153 15.509 -2.085 -19.002 1.00 0.00 H new ATOM 0 HB3 PHE C 153 14.493 -2.645 -17.689 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.426 -0.557 -18.558 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.743 -1.758 -15.424 1.00 0.00 H new ATOM 0 HE1 PHE C 153 18.256 1.292 -17.137 1.00 0.00 H new ATOM 0 HE2 PHE C 153 15.580 0.091 -13.998 1.00 0.00 H new ATOM 0 HZ PHE C 153 17.334 1.616 -14.860 1.00 0.00 H new ATOM 997 N LEU C 154 15.156 -4.897 -16.105 1.00 0.00 N ATOM 998 CA LEU C 154 14.960 -5.492 -14.732 1.00 0.00 C ATOM 999 C LEU C 154 16.112 -6.439 -14.386 1.00 0.00 C ATOM 1000 O LEU C 154 16.635 -6.378 -13.293 1.00 0.00 O ATOM 1001 CB LEU C 154 13.612 -6.262 -14.789 1.00 0.00 C ATOM 1002 CG LEU C 154 13.328 -6.952 -13.430 1.00 0.00 C ATOM 1003 CD1 LEU C 154 13.263 -5.917 -12.311 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.995 -7.699 -13.497 1.00 0.00 C ATOM 0 H LEU C 154 14.383 -5.041 -16.754 1.00 0.00 H new ATOM 0 HA LEU C 154 14.944 -4.722 -13.961 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.802 -5.574 -15.031 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.645 -7.008 -15.583 1.00 0.00 H new ATOM 0 HG LEU C 154 14.136 -7.654 -13.223 1.00 0.00 H new ATOM 0 HD11 LEU C 154 13.063 -6.418 -11.364 1.00 0.00 H new ATOM 0 HD12 LEU C 154 14.214 -5.389 -12.248 1.00 0.00 H new ATOM 0 HD13 LEU C 154 12.465 -5.204 -12.520 1.00 0.00 H new ATOM 0 HD21 LEU C 154 11.800 -8.182 -12.540 1.00 0.00 H new ATOM 0 HD22 LEU C 154 11.194 -6.994 -13.717 1.00 0.00 H new ATOM 0 HD23 LEU C 154 12.040 -8.454 -14.282 1.00 0.00 H new ATOM 1016 N GLU C 155 16.552 -7.279 -15.306 1.00 0.00 N ATOM 1017 CA GLU C 155 17.731 -8.153 -14.980 1.00 0.00 C ATOM 1018 C GLU C 155 19.031 -7.320 -15.039 1.00 0.00 C ATOM 1019 O GLU C 155 19.898 -7.446 -14.174 1.00 0.00 O ATOM 1020 CB GLU C 155 17.733 -9.327 -15.997 1.00 0.00 C ATOM 1021 CG GLU C 155 17.878 -8.833 -17.442 1.00 0.00 C ATOM 1022 CD GLU C 155 17.985 -10.015 -18.347 1.00 0.00 C ATOM 1023 OE1 GLU C 155 16.980 -10.502 -18.763 1.00 0.00 O1- ATOM 1024 OE2 GLU C 155 19.088 -10.439 -18.601 1.00 0.00 O ATOM 0 H GLU C 155 16.158 -7.394 -16.240 1.00 0.00 H new ATOM 0 HA GLU C 155 17.666 -8.558 -13.970 1.00 0.00 H new ATOM 0 HB2 GLU C 155 18.551 -10.009 -15.763 1.00 0.00 H new ATOM 0 HB3 GLU C 155 16.807 -9.894 -15.899 1.00 0.00 H new ATOM 0 HG2 GLU C 155 17.019 -8.222 -17.720 1.00 0.00 H new ATOM 0 HG3 GLU C 155 18.762 -8.203 -17.538 1.00 0.00 H new ATOM 1031 N PHE C 156 19.146 -6.450 -16.030 1.00 0.00 N ATOM 1032 CA PHE C 156 20.371 -5.583 -16.200 1.00 0.00 C ATOM 1033 C PHE C 156 20.612 -4.709 -14.958 1.00 0.00 C ATOM 1034 O PHE C 156 21.743 -4.550 -14.524 1.00 0.00 O ATOM 1035 CB PHE C 156 20.068 -4.713 -17.432 1.00 0.00 C ATOM 1036 CG PHE C 156 21.295 -3.930 -17.843 1.00 0.00 C ATOM 1037 CD1 PHE C 156 22.276 -4.531 -18.644 1.00 0.00 C ATOM 1038 CD2 PHE C 156 21.448 -2.606 -17.427 1.00 0.00 C ATOM 1039 CE1 PHE C 156 23.406 -3.807 -19.026 1.00 0.00 C ATOM 1040 CE2 PHE C 156 22.577 -1.880 -17.810 1.00 0.00 C ATOM 1041 CZ PHE C 156 23.557 -2.479 -18.612 1.00 0.00 C ATOM 0 H PHE C 156 18.429 -6.303 -16.740 1.00 0.00 H new ATOM 0 HA PHE C 156 21.276 -6.178 -16.327 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.739 -5.344 -18.258 1.00 0.00 H new ATOM 0 HB3 PHE C 156 19.250 -4.028 -17.208 1.00 0.00 H new ATOM 0 HD1 PHE C 156 22.157 -5.555 -18.966 1.00 0.00 H new ATOM 0 HD2 PHE C 156 20.693 -2.144 -16.809 1.00 0.00 H new ATOM 0 HE1 PHE C 156 24.163 -4.271 -19.641 1.00 0.00 H new ATOM 0 HE2 PHE C 156 22.695 -0.856 -17.488 1.00 0.00 H new ATOM 0 HZ PHE C 156 24.429 -1.916 -18.911 1.00 0.00 H new ATOM 1051 N MET C 157 19.566 -4.136 -14.369 1.00 0.00 N ATOM 1052 CA MET C 157 19.773 -3.250 -13.159 1.00 0.00 C ATOM 1053 C MET C 157 20.533 -3.989 -12.057 1.00 0.00 C ATOM 1054 O MET C 157 21.325 -3.380 -11.389 1.00 0.00 O ATOM 1055 CB MET C 157 18.364 -2.774 -12.703 1.00 0.00 C ATOM 1056 CG MET C 157 17.707 -3.792 -11.761 1.00 0.00 C ATOM 1057 SD MET C 157 16.025 -3.265 -11.373 1.00 0.00 S ATOM 1058 CE MET C 157 15.634 -4.620 -10.246 1.00 0.00 C ATOM 0 H MET C 157 18.597 -4.243 -14.669 1.00 0.00 H new ATOM 0 HA MET C 157 20.391 -2.386 -13.402 1.00 0.00 H new ATOM 0 HB2 MET C 157 18.449 -1.811 -12.199 1.00 0.00 H new ATOM 0 HB3 MET C 157 17.730 -2.622 -13.576 1.00 0.00 H new ATOM 0 HG2 MET C 157 17.691 -4.777 -12.228 1.00 0.00 H new ATOM 0 HG3 MET C 157 18.290 -3.883 -10.845 1.00 0.00 H new ATOM 0 HE1 MET C 157 14.557 -4.657 -10.081 1.00 0.00 H new ATOM 0 HE2 MET C 157 15.967 -5.562 -10.681 1.00 0.00 H new ATOM 0 HE3 MET C 157 16.141 -4.460 -9.295 1.00 0.00 H new