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+ -164:sc= 2.47 (180deg=0.00991!) USER MOD Set 1.2: C 107 ASN : amide:sc= -0.159 K(o=2.3,f=-13!) USER MOD Set 2.1: C 98 SER OG : rot -27:sc= 1.35 USER MOD Set 2.2: C 150 TYR OH : rot 180:sc= 0.87 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+ 167:sc= 1.1 (180deg=0.908) USER MOD Single : C 120 MET CE :methyl 149:sc= -0.629 (180deg=-3.03!) USER MOD Single : C 122 GLN : amide:sc= -1.82 K(o=-1.8,f=-2.7) USER MOD Single : C 124 THR OG1 : rot 106:sc= 1.11 USER MOD Single : C 127 THR OG1 : rot 180:sc= 0.152 USER MOD Single : C 129 THR OG1 : rot 121:sc= 1.25 USER MOD Single : C 137 MET CE :methyl 144:sc= -0.273 (180deg=-2.86!) USER MOD Single : C 138 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : C 142 LYS NZ :NH3+ -170:sc= 0.913 (180deg=0.466) USER MOD Single : C 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 144 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.14) USER MOD Single : C 157 MET CE :methyl -178:sc= -1.79 (180deg=-1.82) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 9.532 -4.995 -8.737 1.00 0.00 N ATOM 61 CA GLU C 94 8.731 -4.955 -10.017 1.00 0.00 C ATOM 62 C GLU C 94 7.851 -3.682 -10.074 1.00 0.00 C ATOM 63 O GLU C 94 7.726 -3.056 -11.110 1.00 0.00 O ATOM 64 CB GLU C 94 7.835 -6.214 -9.983 1.00 0.00 C ATOM 65 CG GLU C 94 8.699 -7.493 -9.865 1.00 0.00 C ATOM 66 CD GLU C 94 8.727 -7.948 -8.420 1.00 0.00 C ATOM 67 OE1 GLU C 94 7.791 -8.590 -8.013 1.00 0.00 O1- ATOM 68 OE2 GLU C 94 9.655 -7.610 -7.723 1.00 0.00 O ATOM 0 HA GLU C 94 9.380 -4.935 -10.892 1.00 0.00 H new ATOM 0 HB2 GLU C 94 7.146 -6.155 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU C 94 7.229 -6.260 -10.888 1.00 0.00 H new ATOM 0 HG2 GLU C 94 8.291 -8.281 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU C 94 9.712 -7.295 -10.215 1.00 0.00 H new ATOM 75 N GLU C 95 7.237 -3.300 -8.972 1.00 0.00 N ATOM 76 CA GLU C 95 6.360 -2.072 -8.985 1.00 0.00 C ATOM 77 C GLU C 95 7.230 -0.822 -9.104 1.00 0.00 C ATOM 78 O GLU C 95 6.950 0.064 -9.908 1.00 0.00 O ATOM 79 CB GLU C 95 5.638 -2.097 -7.637 1.00 0.00 C ATOM 80 CG GLU C 95 4.746 -3.358 -7.550 1.00 0.00 C ATOM 81 CD GLU C 95 4.024 -3.440 -6.209 1.00 0.00 C ATOM 82 OE1 GLU C 95 4.386 -2.721 -5.300 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 3.137 -4.241 -6.110 1.00 0.00 O ATOM 0 H GLU C 95 7.303 -3.778 -8.073 1.00 0.00 H new ATOM 0 HA GLU C 95 5.661 -2.060 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU C 95 6.364 -2.096 -6.824 1.00 0.00 H new ATOM 0 HB3 GLU C 95 5.029 -1.200 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU C 95 4.015 -3.344 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU C 95 5.359 -4.249 -7.690 1.00 0.00 H new ATOM 90 N GLU C 96 8.281 -0.746 -8.328 1.00 0.00 N ATOM 91 CA GLU C 96 9.213 0.425 -8.404 1.00 0.00 C ATOM 92 C GLU C 96 10.032 0.399 -9.723 1.00 0.00 C ATOM 93 O GLU C 96 10.370 1.443 -10.266 1.00 0.00 O ATOM 94 CB GLU C 96 10.108 0.328 -7.149 1.00 0.00 C ATOM 95 CG GLU C 96 9.507 1.201 -5.999 1.00 0.00 C ATOM 96 CD GLU C 96 8.385 0.512 -5.193 1.00 0.00 C ATOM 97 OE1 GLU C 96 7.917 -0.542 -5.551 1.00 0.00 O1- ATOM 98 OE2 GLU C 96 7.983 1.069 -4.206 1.00 0.00 O ATOM 0 H GLU C 96 8.538 -1.451 -7.637 1.00 0.00 H new ATOM 0 HA GLU C 96 8.678 1.375 -8.419 1.00 0.00 H new ATOM 0 HB2 GLU C 96 10.186 -0.710 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU C 96 11.117 0.666 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU C 96 10.309 1.481 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU C 96 9.116 2.124 -6.427 1.00 0.00 H new ATOM 105 N LEU C 97 10.333 -0.780 -10.248 1.00 0.00 N ATOM 106 CA LEU C 97 11.137 -0.897 -11.532 1.00 0.00 C ATOM 107 C LEU C 97 10.598 0.028 -12.612 1.00 0.00 C ATOM 108 O LEU C 97 11.369 0.646 -13.348 1.00 0.00 O ATOM 109 CB LEU C 97 10.954 -2.365 -11.992 1.00 0.00 C ATOM 110 CG LEU C 97 11.542 -2.570 -13.400 1.00 0.00 C ATOM 111 CD1 LEU C 97 13.021 -2.236 -13.417 1.00 0.00 C ATOM 112 CD2 LEU C 97 11.335 -4.012 -13.836 1.00 0.00 C ATOM 0 H LEU C 97 10.055 -1.673 -9.841 1.00 0.00 H new ATOM 0 HA LEU C 97 12.179 -0.624 -11.363 1.00 0.00 H new ATOM 0 HB2 LEU C 97 11.444 -3.036 -11.287 1.00 0.00 H new ATOM 0 HB3 LEU C 97 9.895 -2.622 -11.994 1.00 0.00 H new ATOM 0 HG LEU C 97 11.029 -1.902 -14.092 1.00 0.00 H new ATOM 0 HD11 LEU C 97 13.417 -2.388 -14.421 1.00 0.00 H new ATOM 0 HD12 LEU C 97 13.162 -1.196 -13.125 1.00 0.00 H new ATOM 0 HD13 LEU C 97 13.549 -2.884 -12.717 1.00 0.00 H new ATOM 0 HD21 LEU C 97 11.752 -4.154 -14.833 1.00 0.00 H new ATOM 0 HD22 LEU C 97 11.836 -4.680 -13.135 1.00 0.00 H new ATOM 0 HD23 LEU C 97 10.269 -4.237 -13.853 1.00 0.00 H new ATOM 124 N SER C 98 9.316 0.089 -12.772 1.00 0.00 N ATOM 125 CA SER C 98 8.746 0.922 -13.857 1.00 0.00 C ATOM 126 C SER C 98 9.224 2.391 -13.720 1.00 0.00 C ATOM 127 O SER C 98 9.574 3.021 -14.725 1.00 0.00 O ATOM 128 CB SER C 98 7.234 0.806 -13.683 1.00 0.00 C ATOM 129 OG SER C 98 6.878 -0.587 -13.590 1.00 0.00 O ATOM 0 H SER C 98 8.633 -0.403 -12.197 1.00 0.00 H new ATOM 0 HA SER C 98 9.062 0.594 -14.848 1.00 0.00 H new ATOM 0 HB2 SER C 98 6.917 1.336 -12.785 1.00 0.00 H new ATOM 0 HB3 SER C 98 6.721 1.270 -14.526 1.00 0.00 H new ATOM 0 HG SER C 98 7.539 -1.126 -14.072 1.00 0.00 H new ATOM 135 N ASP C 99 9.310 2.926 -12.505 1.00 0.00 N ATOM 136 CA ASP C 99 9.843 4.329 -12.346 1.00 0.00 C ATOM 137 C ASP C 99 11.338 4.365 -12.715 1.00 0.00 C ATOM 138 O ASP C 99 11.777 5.220 -13.471 1.00 0.00 O ATOM 139 CB ASP C 99 9.658 4.707 -10.874 1.00 0.00 C ATOM 140 CG ASP C 99 9.905 6.197 -10.729 1.00 0.00 C ATOM 141 OD1 ASP C 99 8.998 6.949 -11.008 1.00 0.00 O ATOM 142 OD2 ASP C 99 10.988 6.573 -10.383 1.00 0.00 O1- ATOM 0 H ASP C 99 9.040 2.460 -11.639 1.00 0.00 H new ATOM 0 HA ASP C 99 9.318 5.027 -12.998 1.00 0.00 H new ATOM 0 HB2 ASP C 99 8.651 4.455 -10.541 1.00 0.00 H new ATOM 0 HB3 ASP C 99 10.351 4.145 -10.248 1.00 0.00 H new ATOM 147 N LEU C 100 12.111 3.385 -12.257 1.00 0.00 N ATOM 148 CA LEU C 100 13.578 3.326 -12.648 1.00 0.00 C ATOM 149 C LEU C 100 13.687 3.202 -14.169 1.00 0.00 C ATOM 150 O LEU C 100 14.514 3.836 -14.799 1.00 0.00 O ATOM 151 CB LEU C 100 14.162 2.061 -11.970 1.00 0.00 C ATOM 152 CG LEU C 100 14.406 2.312 -10.460 1.00 0.00 C ATOM 153 CD1 LEU C 100 13.163 1.959 -9.648 1.00 0.00 C ATOM 154 CD2 LEU C 100 15.570 1.446 -9.977 1.00 0.00 C ATOM 0 H LEU C 100 11.796 2.636 -11.640 1.00 0.00 H new ATOM 0 HA LEU C 100 14.117 4.221 -12.336 1.00 0.00 H new ATOM 0 HB2 LEU C 100 13.476 1.224 -12.098 1.00 0.00 H new ATOM 0 HB3 LEU C 100 15.098 1.783 -12.453 1.00 0.00 H new ATOM 0 HG LEU C 100 14.638 3.368 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU C 100 13.355 2.142 -8.591 1.00 0.00 H new ATOM 0 HD12 LEU C 100 12.326 2.575 -9.977 1.00 0.00 H new ATOM 0 HD13 LEU C 100 12.919 0.907 -9.795 1.00 0.00 H new ATOM 0 HD21 LEU C 100 15.740 1.624 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU C 100 15.331 0.394 -10.135 1.00 0.00 H new ATOM 0 HD23 LEU C 100 16.470 1.701 -10.536 1.00 0.00 H new ATOM 166 N PHE C 101 12.827 2.422 -14.769 1.00 0.00 N ATOM 167 CA PHE C 101 12.814 2.310 -16.263 1.00 0.00 C ATOM 168 C PHE C 101 12.453 3.701 -16.854 1.00 0.00 C ATOM 169 O PHE C 101 13.040 4.144 -17.812 1.00 0.00 O ATOM 170 CB PHE C 101 11.712 1.269 -16.555 1.00 0.00 C ATOM 171 CG PHE C 101 11.718 0.858 -18.014 1.00 0.00 C ATOM 172 CD1 PHE C 101 12.635 -0.102 -18.468 1.00 0.00 C ATOM 173 CD2 PHE C 101 10.799 1.414 -18.908 1.00 0.00 C ATOM 174 CE1 PHE C 101 12.628 -0.497 -19.810 1.00 0.00 C ATOM 175 CE2 PHE C 101 10.792 1.012 -20.247 1.00 0.00 C ATOM 176 CZ PHE C 101 11.708 0.059 -20.698 1.00 0.00 C ATOM 0 H PHE C 101 12.129 1.854 -14.289 1.00 0.00 H new ATOM 0 HA PHE C 101 13.767 2.009 -16.698 1.00 0.00 H new ATOM 0 HB2 PHE C 101 11.862 0.391 -15.927 1.00 0.00 H new ATOM 0 HB3 PHE C 101 10.738 1.684 -16.296 1.00 0.00 H new ATOM 0 HD1 PHE C 101 13.346 -0.536 -17.781 1.00 0.00 H new ATOM 0 HD2 PHE C 101 10.093 2.155 -18.564 1.00 0.00 H new ATOM 0 HE1 PHE C 101 13.336 -1.234 -20.159 1.00 0.00 H new ATOM 0 HE2 PHE C 101 10.077 1.439 -20.934 1.00 0.00 H new ATOM 0 HZ PHE C 101 11.704 -0.247 -21.734 1.00 0.00 H new ATOM 186 N ARG C 102 11.476 4.379 -16.262 1.00 0.00 N ATOM 187 CA ARG C 102 11.030 5.742 -16.763 1.00 0.00 C ATOM 188 C ARG C 102 12.194 6.753 -16.736 1.00 0.00 C ATOM 189 O ARG C 102 12.372 7.505 -17.665 1.00 0.00 O ATOM 190 CB ARG C 102 9.973 6.183 -15.729 1.00 0.00 C ATOM 191 CG ARG C 102 9.251 7.455 -16.187 1.00 0.00 C ATOM 192 CD ARG C 102 8.430 8.045 -15.012 1.00 0.00 C ATOM 193 NE ARG C 102 7.445 6.976 -14.596 1.00 0.00 N ATOM 194 CZ ARG C 102 6.533 7.266 -13.700 1.00 0.00 C ATOM 195 NH1 ARG C 102 6.825 7.208 -12.426 1.00 0.00 N ATOM 196 NH2 ARG C 102 5.348 7.652 -14.093 1.00 0.00 N1+ ATOM 0 H ARG C 102 10.964 4.043 -15.446 1.00 0.00 H new ATOM 0 HA ARG C 102 10.664 5.697 -17.789 1.00 0.00 H new ATOM 0 HB2 ARG C 102 9.248 5.383 -15.581 1.00 0.00 H new ATOM 0 HB3 ARG C 102 10.453 6.360 -14.766 1.00 0.00 H new ATOM 0 HG2 ARG C 102 9.976 8.188 -16.540 1.00 0.00 H new ATOM 0 HG3 ARG C 102 8.592 7.228 -17.025 1.00 0.00 H new ATOM 0 HD2 ARG C 102 9.082 8.316 -14.181 1.00 0.00 H new ATOM 0 HD3 ARG C 102 7.910 8.953 -15.319 1.00 0.00 H new ATOM 0 HE ARG C 102 7.489 6.043 -15.006 1.00 0.00 H new ATOM 0 HH11 ARG C 102 7.763 6.937 -12.129 1.00 0.00 H new ATOM 0 HH12 ARG C 102 6.115 7.434 -11.729 1.00 0.00 H new ATOM 0 HH21 ARG C 102 5.140 7.725 -15.089 1.00 0.00 H new ATOM 0 HH22 ARG C 102 4.631 7.880 -13.404 1.00 0.00 H new ATOM 210 N MET C 103 12.939 6.824 -15.639 1.00 0.00 N ATOM 211 CA MET C 103 14.046 7.864 -15.551 1.00 0.00 C ATOM 212 C MET C 103 15.148 7.603 -16.586 1.00 0.00 C ATOM 213 O MET C 103 15.810 8.524 -17.029 1.00 0.00 O ATOM 214 CB MET C 103 14.625 7.828 -14.109 1.00 0.00 C ATOM 215 CG MET C 103 15.036 6.403 -13.702 1.00 0.00 C ATOM 216 SD MET C 103 16.439 6.470 -12.556 1.00 0.00 S ATOM 217 CE MET C 103 17.743 6.064 -13.759 1.00 0.00 C ATOM 0 H MET C 103 12.835 6.225 -14.820 1.00 0.00 H new ATOM 0 HA MET C 103 13.637 8.850 -15.771 1.00 0.00 H new ATOM 0 HB2 MET C 103 15.489 8.489 -14.046 1.00 0.00 H new ATOM 0 HB3 MET C 103 13.882 8.208 -13.408 1.00 0.00 H new ATOM 0 HG2 MET C 103 14.195 5.893 -13.232 1.00 0.00 H new ATOM 0 HG3 MET C 103 15.305 5.826 -14.587 1.00 0.00 H new ATOM 0 HE1 MET C 103 18.710 6.051 -13.257 1.00 0.00 H new ATOM 0 HE2 MET C 103 17.546 5.083 -14.192 1.00 0.00 H new ATOM 0 HE3 MET C 103 17.755 6.814 -14.550 1.00 0.00 H new ATOM 227 N PHE C 104 15.403 6.348 -16.894 1.00 0.00 N ATOM 228 CA PHE C 104 16.524 5.979 -17.837 1.00 0.00 C ATOM 229 C PHE C 104 16.281 6.571 -19.242 1.00 0.00 C ATOM 230 O PHE C 104 17.215 6.973 -19.918 1.00 0.00 O ATOM 231 CB PHE C 104 16.483 4.435 -17.916 1.00 0.00 C ATOM 232 CG PHE C 104 17.828 3.892 -18.357 1.00 0.00 C ATOM 233 CD1 PHE C 104 18.293 4.103 -19.661 1.00 0.00 C ATOM 234 CD2 PHE C 104 18.607 3.178 -17.446 1.00 0.00 C ATOM 235 CE1 PHE C 104 19.535 3.600 -20.047 1.00 0.00 C ATOM 236 CE2 PHE C 104 19.844 2.672 -17.832 1.00 0.00 C ATOM 237 CZ PHE C 104 20.311 2.882 -19.134 1.00 0.00 C ATOM 0 H PHE C 104 14.878 5.553 -16.530 1.00 0.00 H new ATOM 0 HA PHE C 104 17.483 6.363 -17.488 1.00 0.00 H new ATOM 0 HB2 PHE C 104 16.218 4.022 -16.943 1.00 0.00 H new ATOM 0 HB3 PHE C 104 15.709 4.121 -18.617 1.00 0.00 H new ATOM 0 HD1 PHE C 104 17.690 4.655 -20.367 1.00 0.00 H new ATOM 0 HD2 PHE C 104 18.249 3.018 -16.440 1.00 0.00 H new ATOM 0 HE1 PHE C 104 19.897 3.765 -21.051 1.00 0.00 H new ATOM 0 HE2 PHE C 104 20.444 2.117 -17.126 1.00 0.00 H new ATOM 0 HZ PHE C 104 21.271 2.489 -19.433 1.00 0.00 H new ATOM 247 N ASP C 105 15.055 6.537 -19.722 1.00 0.00 N ATOM 248 CA ASP C 105 14.798 6.995 -21.130 1.00 0.00 C ATOM 249 C ASP C 105 14.803 8.529 -21.197 1.00 0.00 C ATOM 250 O ASP C 105 14.063 9.201 -20.481 1.00 0.00 O ATOM 251 CB ASP C 105 13.413 6.473 -21.502 1.00 0.00 C ATOM 252 CG ASP C 105 13.248 6.595 -22.988 1.00 0.00 C ATOM 253 OD1 ASP C 105 12.893 7.637 -23.451 1.00 0.00 O1- ATOM 254 OD2 ASP C 105 13.534 5.641 -23.658 1.00 0.00 O ATOM 0 H ASP C 105 14.234 6.217 -19.209 1.00 0.00 H new ATOM 0 HA ASP C 105 15.566 6.626 -21.810 1.00 0.00 H new ATOM 0 HB2 ASP C 105 13.303 5.434 -21.192 1.00 0.00 H new ATOM 0 HB3 ASP C 105 12.641 7.044 -20.986 1.00 0.00 H new ATOM 259 N LYS C 106 15.625 9.092 -22.049 1.00 0.00 N ATOM 260 CA LYS C 106 15.685 10.606 -22.177 1.00 0.00 C ATOM 261 C LYS C 106 14.836 11.152 -23.342 1.00 0.00 C ATOM 262 O LYS C 106 14.642 12.355 -23.440 1.00 0.00 O ATOM 263 CB LYS C 106 17.183 11.029 -22.346 1.00 0.00 C ATOM 264 CG LYS C 106 18.000 10.061 -23.248 1.00 0.00 C ATOM 265 CD LYS C 106 17.640 10.243 -24.738 1.00 0.00 C ATOM 266 CE LYS C 106 18.439 9.234 -25.622 1.00 0.00 C ATOM 267 NZ LYS C 106 17.424 8.292 -26.175 1.00 0.00 N1+ ATOM 0 H LYS C 106 16.259 8.582 -22.664 1.00 0.00 H new ATOM 0 HA LYS C 106 15.259 11.037 -21.271 1.00 0.00 H new ATOM 0 HB2 LYS C 106 17.224 12.032 -22.771 1.00 0.00 H new ATOM 0 HB3 LYS C 106 17.651 11.080 -21.363 1.00 0.00 H new ATOM 0 HG2 LYS C 106 19.066 10.240 -23.105 1.00 0.00 H new ATOM 0 HG3 LYS C 106 17.806 9.031 -22.948 1.00 0.00 H new ATOM 0 HD2 LYS C 106 16.570 10.092 -24.881 1.00 0.00 H new ATOM 0 HD3 LYS C 106 17.862 11.264 -25.050 1.00 0.00 H new ATOM 0 HE2 LYS C 106 18.971 9.750 -26.421 1.00 0.00 H new ATOM 0 HE3 LYS C 106 19.186 8.703 -25.032 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 17.901 7.446 -26.546 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 16.762 8.014 -25.423 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 16.900 8.758 -26.943 1.00 0.00 H new ATOM 281 N ASN C 107 14.344 10.315 -24.242 1.00 0.00 N ATOM 282 CA ASN C 107 13.493 10.869 -25.379 1.00 0.00 C ATOM 283 C ASN C 107 12.014 10.562 -25.173 1.00 0.00 C ATOM 284 O ASN C 107 11.235 10.715 -26.096 1.00 0.00 O ATOM 285 CB ASN C 107 13.972 10.198 -26.685 1.00 0.00 C ATOM 286 CG ASN C 107 15.314 10.762 -27.146 1.00 0.00 C ATOM 287 OD1 ASN C 107 16.198 10.014 -27.500 1.00 0.00 O ATOM 288 ND2 ASN C 107 15.522 12.048 -27.173 1.00 0.00 N ATOM 0 H ASN C 107 14.485 9.305 -24.247 1.00 0.00 H new ATOM 0 HA ASN C 107 13.603 11.953 -25.417 1.00 0.00 H new ATOM 0 HB2 ASN C 107 14.062 9.123 -26.531 1.00 0.00 H new ATOM 0 HB3 ASN C 107 13.226 10.347 -27.466 1.00 0.00 H new ATOM 0 HD21 ASN C 107 16.420 12.413 -27.489 1.00 0.00 H new ATOM 0 HD22 ASN C 107 14.786 12.690 -26.878 1.00 0.00 H new ATOM 295 N ALA C 108 11.632 10.017 -24.030 1.00 0.00 N ATOM 296 CA ALA C 108 10.217 9.554 -23.810 1.00 0.00 C ATOM 297 C ALA C 108 9.823 8.514 -24.895 1.00 0.00 C ATOM 298 O ALA C 108 8.652 8.227 -25.075 1.00 0.00 O ATOM 299 CB ALA C 108 9.324 10.804 -23.907 1.00 0.00 C ATOM 0 H ALA C 108 12.251 9.873 -23.232 1.00 0.00 H new ATOM 0 HA ALA C 108 10.103 9.072 -22.839 1.00 0.00 H new ATOM 0 HB1 ALA C 108 8.283 10.520 -23.754 1.00 0.00 H new ATOM 0 HB2 ALA C 108 9.620 11.523 -23.143 1.00 0.00 H new ATOM 0 HB3 ALA C 108 9.436 11.255 -24.893 1.00 0.00 H new ATOM 305 N ASP C 109 10.805 7.892 -25.564 1.00 0.00 N ATOM 306 CA ASP C 109 10.482 6.811 -26.558 1.00 0.00 C ATOM 307 C ASP C 109 9.925 5.582 -25.820 1.00 0.00 C ATOM 308 O ASP C 109 9.118 4.842 -26.355 1.00 0.00 O ATOM 309 CB ASP C 109 11.776 6.504 -27.395 1.00 0.00 C ATOM 310 CG ASP C 109 12.918 6.007 -26.541 1.00 0.00 C ATOM 311 OD1 ASP C 109 12.983 4.877 -26.257 1.00 0.00 O1- ATOM 312 OD2 ASP C 109 13.755 6.766 -26.185 1.00 0.00 O ATOM 0 H ASP C 109 11.799 8.095 -25.455 1.00 0.00 H new ATOM 0 HA ASP C 109 9.706 7.127 -27.256 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.544 5.757 -28.154 1.00 0.00 H new ATOM 0 HB3 ASP C 109 12.087 7.407 -27.920 1.00 0.00 H new ATOM 317 N GLY C 110 10.308 5.390 -24.573 1.00 0.00 N ATOM 318 CA GLY C 110 9.738 4.272 -23.761 1.00 0.00 C ATOM 319 C GLY C 110 10.663 3.060 -23.741 1.00 0.00 C ATOM 320 O GLY C 110 10.429 2.136 -22.993 1.00 0.00 O ATOM 0 H GLY C 110 10.995 5.966 -24.086 1.00 0.00 H new ATOM 0 HA2 GLY C 110 9.565 4.615 -22.741 1.00 0.00 H new ATOM 0 HA3 GLY C 110 8.769 3.984 -24.169 1.00 0.00 H new ATOM 324 N TYR C 111 11.712 3.046 -24.526 1.00 0.00 N ATOM 325 CA TYR C 111 12.644 1.883 -24.505 1.00 0.00 C ATOM 326 C TYR C 111 14.055 2.368 -24.269 1.00 0.00 C ATOM 327 O TYR C 111 14.446 3.461 -24.729 1.00 0.00 O ATOM 328 CB TYR C 111 12.525 1.222 -25.882 1.00 0.00 C ATOM 329 CG TYR C 111 11.126 0.660 -26.052 1.00 0.00 C ATOM 330 CD1 TYR C 111 10.789 -0.560 -25.454 1.00 0.00 C ATOM 331 CD2 TYR C 111 10.171 1.353 -26.802 1.00 0.00 C ATOM 332 CE1 TYR C 111 9.510 -1.083 -25.605 1.00 0.00 C ATOM 333 CE2 TYR C 111 8.885 0.826 -26.954 1.00 0.00 C ATOM 334 CZ TYR C 111 8.553 -0.392 -26.355 1.00 0.00 C ATOM 335 OH TYR C 111 7.279 -0.910 -26.503 1.00 0.00 O ATOM 0 H TYR C 111 11.961 3.790 -25.178 1.00 0.00 H new ATOM 0 HA TYR C 111 12.401 1.179 -23.709 1.00 0.00 H new ATOM 0 HB2 TYR C 111 12.734 1.950 -26.666 1.00 0.00 H new ATOM 0 HB3 TYR C 111 13.263 0.426 -25.981 1.00 0.00 H new ATOM 0 HD1 TYR C 111 11.525 -1.097 -24.874 1.00 0.00 H new ATOM 0 HD2 TYR C 111 10.427 2.295 -27.264 1.00 0.00 H new ATOM 0 HE1 TYR C 111 9.255 -2.025 -25.142 1.00 0.00 H new ATOM 0 HE2 TYR C 111 8.148 1.361 -27.535 1.00 0.00 H new ATOM 0 HH TYR C 111 6.741 -0.303 -27.053 1.00 0.00 H new ATOM 345 N ILE C 112 14.868 1.568 -23.657 1.00 0.00 N ATOM 346 CA ILE C 112 16.264 2.002 -23.478 1.00 0.00 C ATOM 347 C ILE C 112 16.993 1.699 -24.772 1.00 0.00 C ATOM 348 O ILE C 112 16.970 0.560 -25.281 1.00 0.00 O ATOM 349 CB ILE C 112 16.809 1.194 -22.302 1.00 0.00 C ATOM 350 CG1 ILE C 112 15.970 1.496 -21.052 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.273 1.569 -22.039 1.00 0.00 C ATOM 352 CD1 ILE C 112 16.455 0.640 -19.900 1.00 0.00 C ATOM 0 H ILE C 112 14.631 0.650 -23.280 1.00 0.00 H new ATOM 0 HA ILE C 112 16.378 3.065 -23.265 1.00 0.00 H new ATOM 0 HB ILE C 112 16.753 0.131 -22.538 1.00 0.00 H new ATOM 0 HG12 ILE C 112 16.050 2.552 -20.793 1.00 0.00 H new ATOM 0 HG13 ILE C 112 14.917 1.295 -21.250 1.00 0.00 H new ATOM 0 HG21 ILE C 112 18.652 0.987 -21.199 1.00 0.00 H new ATOM 0 HG22 ILE C 112 18.868 1.355 -22.927 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.340 2.631 -21.805 1.00 0.00 H new ATOM 0 HD11 ILE C 112 15.860 0.854 -19.012 1.00 0.00 H new ATOM 0 HD12 ILE C 112 16.352 -0.413 -20.161 1.00 0.00 H new ATOM 0 HD13 ILE C 112 17.502 0.863 -19.697 1.00 0.00 H new ATOM 364 N ASP C 113 17.544 2.714 -25.351 1.00 0.00 N ATOM 365 CA ASP C 113 18.220 2.603 -26.677 1.00 0.00 C ATOM 366 C ASP C 113 19.702 2.921 -26.532 1.00 0.00 C ATOM 367 O ASP C 113 20.157 3.372 -25.480 1.00 0.00 O ATOM 368 CB ASP C 113 17.510 3.621 -27.642 1.00 0.00 C ATOM 369 CG ASP C 113 17.092 4.910 -26.924 1.00 0.00 C ATOM 370 OD1 ASP C 113 17.921 5.795 -26.782 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 15.925 4.990 -26.504 1.00 0.00 O ATOM 0 H ASP C 113 17.559 3.653 -24.953 1.00 0.00 H new ATOM 0 HA ASP C 113 18.145 1.592 -27.079 1.00 0.00 H new ATOM 0 HB2 ASP C 113 18.182 3.867 -28.464 1.00 0.00 H new ATOM 0 HB3 ASP C 113 16.630 3.150 -28.080 1.00 0.00 H new ATOM 376 N LEU C 114 20.476 2.666 -27.571 1.00 0.00 N ATOM 377 CA LEU C 114 21.970 2.911 -27.502 1.00 0.00 C ATOM 378 C LEU C 114 22.268 4.348 -27.080 1.00 0.00 C ATOM 379 O LEU C 114 23.194 4.587 -26.306 1.00 0.00 O ATOM 380 CB LEU C 114 22.509 2.689 -28.934 1.00 0.00 C ATOM 381 CG LEU C 114 22.536 1.194 -29.280 1.00 0.00 C ATOM 382 CD1 LEU C 114 22.576 1.026 -30.799 1.00 0.00 C ATOM 383 CD2 LEU C 114 23.805 0.569 -28.695 1.00 0.00 C ATOM 0 H LEU C 114 20.142 2.300 -28.463 1.00 0.00 H new ATOM 0 HA LEU C 114 22.433 2.245 -26.774 1.00 0.00 H new ATOM 0 HB2 LEU C 114 21.883 3.221 -29.650 1.00 0.00 H new ATOM 0 HB3 LEU C 114 23.513 3.105 -29.018 1.00 0.00 H new ATOM 0 HG LEU C 114 21.649 0.711 -28.871 1.00 0.00 H new ATOM 0 HD11 LEU C 114 22.595 -0.035 -31.047 1.00 0.00 H new ATOM 0 HD12 LEU C 114 21.691 1.486 -31.239 1.00 0.00 H new ATOM 0 HD13 LEU C 114 23.470 1.508 -31.195 1.00 0.00 H new ATOM 0 HD21 LEU C 114 23.832 -0.494 -28.936 1.00 0.00 H new ATOM 0 HD22 LEU C 114 24.681 1.060 -29.119 1.00 0.00 H new ATOM 0 HD23 LEU C 114 23.807 0.695 -27.612 1.00 0.00 H new ATOM 395 N ASP C 115 21.521 5.316 -27.590 1.00 0.00 N ATOM 396 CA ASP C 115 21.806 6.734 -27.208 1.00 0.00 C ATOM 397 C ASP C 115 21.610 6.937 -25.707 1.00 0.00 C ATOM 398 O ASP C 115 22.447 7.530 -25.052 1.00 0.00 O ATOM 399 CB ASP C 115 20.847 7.626 -28.008 1.00 0.00 C ATOM 400 CG ASP C 115 21.411 9.036 -28.025 1.00 0.00 C ATOM 401 OD1 ASP C 115 22.544 9.201 -28.438 1.00 0.00 O1- ATOM 402 OD2 ASP C 115 20.724 9.929 -27.621 1.00 0.00 O ATOM 0 H ASP C 115 20.746 5.181 -28.239 1.00 0.00 H new ATOM 0 HA ASP C 115 22.841 6.990 -27.434 1.00 0.00 H new ATOM 0 HB2 ASP C 115 20.736 7.249 -29.025 1.00 0.00 H new ATOM 0 HB3 ASP C 115 19.855 7.619 -27.556 1.00 0.00 H new ATOM 407 N GLU C 116 20.562 6.362 -25.129 1.00 0.00 N ATOM 408 CA GLU C 116 20.396 6.455 -23.632 1.00 0.00 C ATOM 409 C GLU C 116 21.599 5.795 -22.926 1.00 0.00 C ATOM 410 O GLU C 116 22.142 6.347 -21.971 1.00 0.00 O ATOM 411 CB GLU C 116 19.062 5.737 -23.305 1.00 0.00 C ATOM 412 CG GLU C 116 17.923 6.769 -23.373 1.00 0.00 C ATOM 413 CD GLU C 116 16.623 6.207 -23.923 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.349 5.085 -23.794 1.00 0.00 O1- ATOM 415 OE2 GLU C 116 15.899 6.951 -24.497 1.00 0.00 O ATOM 0 H GLU C 116 19.833 5.845 -25.620 1.00 0.00 H new ATOM 0 HA GLU C 116 20.365 7.487 -23.282 1.00 0.00 H new ATOM 0 HB2 GLU C 116 18.883 4.928 -24.014 1.00 0.00 H new ATOM 0 HB3 GLU C 116 19.107 5.287 -22.313 1.00 0.00 H new ATOM 0 HG2 GLU C 116 17.743 7.165 -22.374 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.239 7.606 -23.996 1.00 0.00 H new ATOM 422 N LEU C 117 22.091 4.687 -23.443 1.00 0.00 N ATOM 423 CA LEU C 117 23.331 4.074 -22.839 1.00 0.00 C ATOM 424 C LEU C 117 24.517 5.037 -23.033 1.00 0.00 C ATOM 425 O LEU C 117 25.278 5.288 -22.109 1.00 0.00 O ATOM 426 CB LEU C 117 23.575 2.757 -23.608 1.00 0.00 C ATOM 427 CG LEU C 117 22.374 1.802 -23.442 1.00 0.00 C ATOM 428 CD1 LEU C 117 22.631 0.530 -24.229 1.00 0.00 C ATOM 429 CD2 LEU C 117 22.198 1.438 -21.966 1.00 0.00 C ATOM 0 H LEU C 117 21.699 4.187 -24.241 1.00 0.00 H new ATOM 0 HA LEU C 117 23.220 3.888 -21.771 1.00 0.00 H new ATOM 0 HB2 LEU C 117 23.734 2.971 -24.665 1.00 0.00 H new ATOM 0 HB3 LEU C 117 24.482 2.277 -23.240 1.00 0.00 H new ATOM 0 HG LEU C 117 21.474 2.296 -23.808 1.00 0.00 H new ATOM 0 HD11 LEU C 117 21.784 -0.147 -24.114 1.00 0.00 H new ATOM 0 HD12 LEU C 117 22.759 0.774 -25.284 1.00 0.00 H new ATOM 0 HD13 LEU C 117 23.534 0.048 -23.856 1.00 0.00 H new ATOM 0 HD21 LEU C 117 21.349 0.764 -21.856 1.00 0.00 H new ATOM 0 HD22 LEU C 117 23.101 0.947 -21.602 1.00 0.00 H new ATOM 0 HD23 LEU C 117 22.019 2.344 -21.387 1.00 0.00 H new ATOM 441 N LYS C 118 24.634 5.635 -24.211 1.00 0.00 N ATOM 442 CA LYS C 118 25.722 6.646 -24.458 1.00 0.00 C ATOM 443 C LYS C 118 25.548 7.816 -23.480 1.00 0.00 C ATOM 444 O LYS C 118 26.479 8.196 -22.788 1.00 0.00 O ATOM 445 CB LYS C 118 25.480 7.107 -25.933 1.00 0.00 C ATOM 446 CG LYS C 118 26.154 8.471 -26.244 1.00 0.00 C ATOM 447 CD LYS C 118 25.080 9.588 -26.180 1.00 0.00 C ATOM 448 CE LYS C 118 25.382 10.710 -27.202 1.00 0.00 C ATOM 449 NZ LYS C 118 24.926 10.182 -28.515 1.00 0.00 N1+ ATOM 0 H LYS C 118 24.021 5.463 -25.008 1.00 0.00 H new ATOM 0 HA LYS C 118 26.729 6.254 -24.314 1.00 0.00 H new ATOM 0 HB2 LYS C 118 25.866 6.350 -26.616 1.00 0.00 H new ATOM 0 HB3 LYS C 118 24.408 7.184 -26.116 1.00 0.00 H new ATOM 0 HG2 LYS C 118 26.949 8.671 -25.526 1.00 0.00 H new ATOM 0 HG3 LYS C 118 26.615 8.447 -27.231 1.00 0.00 H new ATOM 0 HD2 LYS C 118 24.097 9.163 -26.382 1.00 0.00 H new ATOM 0 HD3 LYS C 118 25.046 10.007 -25.174 1.00 0.00 H new ATOM 0 HE2 LYS C 118 24.855 11.629 -26.944 1.00 0.00 H new ATOM 0 HE3 LYS C 118 26.446 10.947 -27.222 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 24.894 10.957 -29.208 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 25.588 9.450 -28.844 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 23.977 9.769 -28.413 1.00 0.00 H new ATOM 463 N ILE C 119 24.359 8.364 -23.400 1.00 0.00 N ATOM 464 CA ILE C 119 24.110 9.518 -22.486 1.00 0.00 C ATOM 465 C ILE C 119 24.412 9.155 -21.029 1.00 0.00 C ATOM 466 O ILE C 119 25.088 9.910 -20.342 1.00 0.00 O ATOM 467 CB ILE C 119 22.628 9.923 -22.714 1.00 0.00 C ATOM 468 CG1 ILE C 119 22.459 10.423 -24.161 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.200 11.038 -21.753 1.00 0.00 C ATOM 470 CD1 ILE C 119 21.001 10.756 -24.420 1.00 0.00 C ATOM 0 H ILE C 119 23.546 8.057 -23.934 1.00 0.00 H new ATOM 0 HA ILE C 119 24.771 10.357 -22.701 1.00 0.00 H new ATOM 0 HB ILE C 119 22.003 9.049 -22.531 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.078 11.305 -24.326 1.00 0.00 H new ATOM 0 HG13 ILE C 119 22.798 9.660 -24.862 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.158 11.298 -21.939 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.311 10.694 -20.725 1.00 0.00 H new ATOM 0 HG23 ILE C 119 22.827 11.916 -21.912 1.00 0.00 H new ATOM 0 HD11 ILE C 119 20.885 11.109 -25.445 1.00 0.00 H new ATOM 0 HD12 ILE C 119 20.392 9.864 -24.273 1.00 0.00 H new ATOM 0 HD13 ILE C 119 20.677 11.534 -23.729 1.00 0.00 H new ATOM 482 N MET C 120 23.964 8.009 -20.540 1.00 0.00 N ATOM 483 CA MET C 120 24.292 7.675 -19.107 1.00 0.00 C ATOM 484 C MET C 120 25.788 7.575 -18.889 1.00 0.00 C ATOM 485 O MET C 120 26.305 8.115 -17.919 1.00 0.00 O ATOM 486 CB MET C 120 23.654 6.328 -18.780 1.00 0.00 C ATOM 487 CG MET C 120 22.190 6.506 -18.408 1.00 0.00 C ATOM 488 SD MET C 120 21.737 5.173 -17.273 1.00 0.00 S ATOM 489 CE MET C 120 22.931 5.576 -15.955 1.00 0.00 C ATOM 0 H MET C 120 23.410 7.319 -21.047 1.00 0.00 H new ATOM 0 HA MET C 120 23.909 8.466 -18.462 1.00 0.00 H new ATOM 0 HB2 MET C 120 23.738 5.661 -19.638 1.00 0.00 H new ATOM 0 HB3 MET C 120 24.190 5.856 -17.956 1.00 0.00 H new ATOM 0 HG2 MET C 120 22.031 7.477 -17.939 1.00 0.00 H new ATOM 0 HG3 MET C 120 21.564 6.477 -19.300 1.00 0.00 H new ATOM 0 HE1 MET C 120 22.515 5.293 -14.988 1.00 0.00 H new ATOM 0 HE2 MET C 120 23.859 5.030 -16.125 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.134 6.647 -15.963 1.00 0.00 H new ATOM 499 N LEU C 121 26.505 6.918 -19.763 1.00 0.00 N ATOM 500 CA LEU C 121 27.989 6.821 -19.556 1.00 0.00 C ATOM 501 C LEU C 121 28.597 8.223 -19.616 1.00 0.00 C ATOM 502 O LEU C 121 29.408 8.595 -18.776 1.00 0.00 O ATOM 503 CB LEU C 121 28.527 5.942 -20.707 1.00 0.00 C ATOM 504 CG LEU C 121 28.414 4.418 -20.383 1.00 0.00 C ATOM 505 CD1 LEU C 121 29.584 3.990 -19.507 1.00 0.00 C ATOM 506 CD2 LEU C 121 27.101 4.079 -19.660 1.00 0.00 C ATOM 0 H LEU C 121 26.142 6.452 -20.595 1.00 0.00 H new ATOM 0 HA LEU C 121 28.244 6.388 -18.588 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.972 6.161 -21.619 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.570 6.195 -20.899 1.00 0.00 H new ATOM 0 HG LEU C 121 28.430 3.882 -21.332 1.00 0.00 H new ATOM 0 HD11 LEU C 121 29.501 2.926 -19.283 1.00 0.00 H new ATOM 0 HD12 LEU C 121 30.520 4.178 -20.033 1.00 0.00 H new ATOM 0 HD13 LEU C 121 29.569 4.558 -18.577 1.00 0.00 H new ATOM 0 HD21 LEU C 121 27.065 3.009 -19.454 1.00 0.00 H new ATOM 0 HD22 LEU C 121 27.049 4.631 -18.721 1.00 0.00 H new ATOM 0 HD23 LEU C 121 26.256 4.356 -20.291 1.00 0.00 H new ATOM 518 N GLN C 122 28.158 9.031 -20.558 1.00 0.00 N ATOM 519 CA GLN C 122 28.663 10.441 -20.640 1.00 0.00 C ATOM 520 C GLN C 122 28.262 11.238 -19.382 1.00 0.00 C ATOM 521 O GLN C 122 29.050 12.022 -18.877 1.00 0.00 O ATOM 522 CB GLN C 122 28.010 11.046 -21.899 1.00 0.00 C ATOM 523 CG GLN C 122 28.526 10.303 -23.151 1.00 0.00 C ATOM 524 CD GLN C 122 27.879 10.869 -24.421 1.00 0.00 C ATOM 525 OE1 GLN C 122 26.816 11.470 -24.375 1.00 0.00 O ATOM 526 NE2 GLN C 122 28.475 10.717 -25.556 1.00 0.00 N ATOM 0 H GLN C 122 27.474 8.775 -21.270 1.00 0.00 H new ATOM 0 HA GLN C 122 29.751 10.474 -20.697 1.00 0.00 H new ATOM 0 HB2 GLN C 122 26.925 10.964 -21.835 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.245 12.108 -21.970 1.00 0.00 H new ATOM 0 HG2 GLN C 122 29.610 10.398 -23.216 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.304 9.239 -23.066 1.00 0.00 H new ATOM 0 HE21 GLN C 122 29.363 10.217 -25.603 1.00 0.00 H new ATOM 0 HE22 GLN C 122 28.058 11.097 -26.406 1.00 0.00 H new ATOM 535 N ALA C 123 27.062 11.013 -18.855 1.00 0.00 N ATOM 536 CA ALA C 123 26.609 11.739 -17.601 1.00 0.00 C ATOM 537 C ALA C 123 27.420 11.247 -16.416 1.00 0.00 C ATOM 538 O ALA C 123 27.796 12.012 -15.548 1.00 0.00 O ATOM 539 CB ALA C 123 25.132 11.366 -17.417 1.00 0.00 C ATOM 0 H ALA C 123 26.380 10.359 -19.239 1.00 0.00 H new ATOM 0 HA ALA C 123 26.743 12.818 -17.678 1.00 0.00 H new ATOM 0 HB1 ALA C 123 24.741 11.858 -16.526 1.00 0.00 H new ATOM 0 HB2 ALA C 123 24.564 11.689 -18.289 1.00 0.00 H new ATOM 0 HB3 ALA C 123 25.041 10.286 -17.304 1.00 0.00 H new ATOM 545 N THR C 124 27.709 9.975 -16.392 1.00 0.00 N ATOM 546 CA THR C 124 28.538 9.382 -15.304 1.00 0.00 C ATOM 547 C THR C 124 29.907 10.114 -15.250 1.00 0.00 C ATOM 548 O THR C 124 30.428 10.386 -14.174 1.00 0.00 O ATOM 549 CB THR C 124 28.682 7.894 -15.714 1.00 0.00 C ATOM 550 OG1 THR C 124 27.389 7.299 -15.844 1.00 0.00 O ATOM 551 CG2 THR C 124 29.442 7.127 -14.665 1.00 0.00 C ATOM 0 H THR C 124 27.398 9.307 -17.097 1.00 0.00 H new ATOM 0 HA THR C 124 28.104 9.476 -14.309 1.00 0.00 H new ATOM 0 HB THR C 124 29.219 7.857 -16.662 1.00 0.00 H new ATOM 0 HG1 THR C 124 27.177 7.181 -16.794 1.00 0.00 H new ATOM 0 HG21 THR C 124 29.533 6.085 -14.971 1.00 0.00 H new ATOM 0 HG22 THR C 124 30.436 7.559 -14.547 1.00 0.00 H new ATOM 0 HG23 THR C 124 28.908 7.182 -13.716 1.00 0.00 H new ATOM 559 N GLY C 125 30.459 10.482 -16.393 1.00 0.00 N ATOM 560 CA GLY C 125 31.747 11.243 -16.402 1.00 0.00 C ATOM 561 C GLY C 125 32.923 10.312 -16.116 1.00 0.00 C ATOM 562 O GLY C 125 33.891 10.719 -15.501 1.00 0.00 O ATOM 0 H GLY C 125 30.068 10.285 -17.314 1.00 0.00 H new ATOM 0 HA2 GLY C 125 31.884 11.725 -17.370 1.00 0.00 H new ATOM 0 HA3 GLY C 125 31.713 12.035 -15.654 1.00 0.00 H new ATOM 566 N GLU C 126 32.865 9.086 -16.575 1.00 0.00 N ATOM 567 CA GLU C 126 33.999 8.143 -16.355 1.00 0.00 C ATOM 568 C GLU C 126 34.699 7.890 -17.691 1.00 0.00 C ATOM 569 O GLU C 126 34.089 8.015 -18.758 1.00 0.00 O ATOM 570 CB GLU C 126 33.356 6.854 -15.807 1.00 0.00 C ATOM 571 CG GLU C 126 34.457 5.886 -15.315 1.00 0.00 C ATOM 572 CD GLU C 126 35.191 6.460 -14.093 1.00 0.00 C ATOM 573 OE1 GLU C 126 34.611 7.249 -13.369 1.00 0.00 O1- ATOM 574 OE2 GLU C 126 36.327 6.110 -13.909 1.00 0.00 O ATOM 0 H GLU C 126 32.077 8.699 -17.094 1.00 0.00 H new ATOM 0 HA GLU C 126 34.748 8.527 -15.663 1.00 0.00 H new ATOM 0 HB2 GLU C 126 32.678 7.095 -14.988 1.00 0.00 H new ATOM 0 HB3 GLU C 126 32.760 6.376 -16.584 1.00 0.00 H new ATOM 0 HG2 GLU C 126 34.012 4.925 -15.058 1.00 0.00 H new ATOM 0 HG3 GLU C 126 35.170 5.702 -16.119 1.00 0.00 H new ATOM 581 N THR C 127 35.956 7.552 -17.662 1.00 0.00 N ATOM 582 CA THR C 127 36.691 7.282 -18.932 1.00 0.00 C ATOM 583 C THR C 127 36.158 5.947 -19.525 1.00 0.00 C ATOM 584 O THR C 127 36.497 4.862 -19.069 1.00 0.00 O ATOM 585 CB THR C 127 38.194 7.180 -18.521 1.00 0.00 C ATOM 586 OG1 THR C 127 38.304 6.903 -17.098 1.00 0.00 O ATOM 587 CG2 THR C 127 38.897 8.508 -18.835 1.00 0.00 C ATOM 0 H THR C 127 36.510 7.450 -16.812 1.00 0.00 H new ATOM 0 HA THR C 127 36.559 8.052 -19.692 1.00 0.00 H new ATOM 0 HB THR C 127 38.663 6.370 -19.080 1.00 0.00 H new ATOM 0 HG1 THR C 127 39.250 6.839 -16.849 1.00 0.00 H new ATOM 0 HG21 THR C 127 39.947 8.440 -18.549 1.00 0.00 H new ATOM 0 HG22 THR C 127 38.824 8.715 -19.903 1.00 0.00 H new ATOM 0 HG23 THR C 127 38.420 9.313 -18.276 1.00 0.00 H new ATOM 595 N ILE C 128 35.306 6.041 -20.517 1.00 0.00 N ATOM 596 CA ILE C 128 34.681 4.821 -21.146 1.00 0.00 C ATOM 597 C ILE C 128 34.987 4.787 -22.653 1.00 0.00 C ATOM 598 O ILE C 128 35.370 5.797 -23.241 1.00 0.00 O ATOM 599 CB ILE C 128 33.154 4.978 -20.923 1.00 0.00 C ATOM 600 CG1 ILE C 128 32.625 6.257 -21.602 1.00 0.00 C ATOM 601 CG2 ILE C 128 32.833 5.032 -19.428 1.00 0.00 C ATOM 602 CD1 ILE C 128 31.386 5.912 -22.409 1.00 0.00 C ATOM 0 H ILE C 128 35.008 6.925 -20.929 1.00 0.00 H new ATOM 0 HA ILE C 128 35.066 3.899 -20.711 1.00 0.00 H new ATOM 0 HB ILE C 128 32.665 4.112 -21.369 1.00 0.00 H new ATOM 0 HG12 ILE C 128 32.388 7.011 -20.852 1.00 0.00 H new ATOM 0 HG13 ILE C 128 33.390 6.683 -22.251 1.00 0.00 H new ATOM 0 HG21 ILE C 128 31.757 5.142 -19.291 1.00 0.00 H new ATOM 0 HG22 ILE C 128 33.167 4.111 -18.951 1.00 0.00 H new ATOM 0 HG23 ILE C 128 33.345 5.881 -18.976 1.00 0.00 H new ATOM 0 HD11 ILE C 128 31.005 6.811 -22.893 1.00 0.00 H new ATOM 0 HD12 ILE C 128 31.640 5.172 -23.168 1.00 0.00 H new ATOM 0 HD13 ILE C 128 30.622 5.505 -21.747 1.00 0.00 H new ATOM 614 N THR C 129 34.795 3.664 -23.282 1.00 0.00 N ATOM 615 CA THR C 129 35.029 3.560 -24.757 1.00 0.00 C ATOM 616 C THR C 129 33.719 3.118 -25.475 1.00 0.00 C ATOM 617 O THR C 129 32.757 2.704 -24.835 1.00 0.00 O ATOM 618 CB THR C 129 36.170 2.525 -24.911 1.00 0.00 C ATOM 619 OG1 THR C 129 36.000 1.457 -23.975 1.00 0.00 O ATOM 620 CG2 THR C 129 37.521 3.195 -24.666 1.00 0.00 C ATOM 0 H THR C 129 34.482 2.801 -22.837 1.00 0.00 H new ATOM 0 HA THR C 129 35.309 4.509 -25.214 1.00 0.00 H new ATOM 0 HB THR C 129 36.138 2.125 -25.925 1.00 0.00 H new ATOM 0 HG1 THR C 129 35.916 0.609 -24.458 1.00 0.00 H new ATOM 0 HG21 THR C 129 38.317 2.459 -24.777 1.00 0.00 H new ATOM 0 HG22 THR C 129 37.666 3.998 -25.389 1.00 0.00 H new ATOM 0 HG23 THR C 129 37.545 3.607 -23.657 1.00 0.00 H new ATOM 628 N GLU C 130 33.646 3.289 -26.782 1.00 0.00 N ATOM 629 CA GLU C 130 32.364 2.964 -27.525 1.00 0.00 C ATOM 630 C GLU C 130 32.000 1.472 -27.362 1.00 0.00 C ATOM 631 O GLU C 130 30.836 1.129 -27.208 1.00 0.00 O ATOM 632 CB GLU C 130 32.659 3.268 -29.010 1.00 0.00 C ATOM 633 CG GLU C 130 33.035 4.760 -29.201 1.00 0.00 C ATOM 634 CD GLU C 130 31.971 5.668 -28.614 1.00 0.00 C ATOM 635 OE1 GLU C 130 30.852 5.592 -29.041 1.00 0.00 O1- ATOM 636 OE2 GLU C 130 32.308 6.463 -27.783 1.00 0.00 O ATOM 0 H GLU C 130 34.408 3.636 -27.365 1.00 0.00 H new ATOM 0 HA GLU C 130 31.526 3.545 -27.141 1.00 0.00 H new ATOM 0 HB2 GLU C 130 33.474 2.635 -29.361 1.00 0.00 H new ATOM 0 HB3 GLU C 130 31.785 3.028 -29.616 1.00 0.00 H new ATOM 0 HG2 GLU C 130 33.994 4.961 -28.723 1.00 0.00 H new ATOM 0 HG3 GLU C 130 33.157 4.975 -30.263 1.00 0.00 H new ATOM 643 N ASP C 131 32.985 0.591 -27.345 1.00 0.00 N ATOM 644 CA ASP C 131 32.690 -0.880 -27.141 1.00 0.00 C ATOM 645 C ASP C 131 32.027 -1.110 -25.774 1.00 0.00 C ATOM 646 O ASP C 131 31.095 -1.891 -25.668 1.00 0.00 O ATOM 647 CB ASP C 131 34.051 -1.646 -27.252 1.00 0.00 C ATOM 648 CG ASP C 131 35.057 -1.251 -26.153 1.00 0.00 C ATOM 649 OD1 ASP C 131 35.053 -0.114 -25.734 1.00 0.00 O ATOM 650 OD2 ASP C 131 35.835 -2.084 -25.773 1.00 0.00 O1- ATOM 0 H ASP C 131 33.972 0.822 -27.462 1.00 0.00 H new ATOM 0 HA ASP C 131 31.993 -1.246 -27.895 1.00 0.00 H new ATOM 0 HB2 ASP C 131 33.863 -2.718 -27.196 1.00 0.00 H new ATOM 0 HB3 ASP C 131 34.493 -1.450 -28.229 1.00 0.00 H new ATOM 655 N ASP C 132 32.446 -0.384 -24.755 1.00 0.00 N ATOM 656 CA ASP C 132 31.779 -0.491 -23.406 1.00 0.00 C ATOM 657 C ASP C 132 30.300 -0.115 -23.543 1.00 0.00 C ATOM 658 O ASP C 132 29.415 -0.859 -23.131 1.00 0.00 O ATOM 659 CB ASP C 132 32.501 0.550 -22.529 1.00 0.00 C ATOM 660 CG ASP C 132 31.890 0.566 -21.141 1.00 0.00 C ATOM 661 OD1 ASP C 132 32.228 -0.295 -20.354 1.00 0.00 O ATOM 662 OD2 ASP C 132 31.099 1.459 -20.879 1.00 0.00 O1- ATOM 0 H ASP C 132 33.221 0.278 -24.799 1.00 0.00 H new ATOM 0 HA ASP C 132 31.834 -1.495 -22.986 1.00 0.00 H new ATOM 0 HB2 ASP C 132 33.563 0.312 -22.466 1.00 0.00 H new ATOM 0 HB3 ASP C 132 32.422 1.538 -22.982 1.00 0.00 H new ATOM 667 N ILE C 133 30.016 0.974 -24.234 1.00 0.00 N ATOM 668 CA ILE C 133 28.576 1.366 -24.478 1.00 0.00 C ATOM 669 C ILE C 133 27.878 0.208 -25.211 1.00 0.00 C ATOM 670 O ILE C 133 26.771 -0.195 -24.844 1.00 0.00 O ATOM 671 CB ILE C 133 28.625 2.654 -25.360 1.00 0.00 C ATOM 672 CG1 ILE C 133 29.396 3.759 -24.617 1.00 0.00 C ATOM 673 CG2 ILE C 133 27.200 3.164 -25.645 1.00 0.00 C ATOM 674 CD1 ILE C 133 29.555 4.983 -25.524 1.00 0.00 C ATOM 0 H ILE C 133 30.710 1.604 -24.637 1.00 0.00 H new ATOM 0 HA ILE C 133 28.023 1.562 -23.559 1.00 0.00 H new ATOM 0 HB ILE C 133 29.121 2.409 -26.299 1.00 0.00 H new ATOM 0 HG12 ILE C 133 28.864 4.036 -23.707 1.00 0.00 H new ATOM 0 HG13 ILE C 133 30.376 3.390 -24.314 1.00 0.00 H new ATOM 0 HG21 ILE C 133 27.251 4.062 -26.261 1.00 0.00 H new ATOM 0 HG22 ILE C 133 26.637 2.394 -26.172 1.00 0.00 H new ATOM 0 HG23 ILE C 133 26.702 3.397 -24.704 1.00 0.00 H new ATOM 0 HD11 ILE C 133 30.102 5.762 -24.992 1.00 0.00 H new ATOM 0 HD12 ILE C 133 30.106 4.702 -26.422 1.00 0.00 H new ATOM 0 HD13 ILE C 133 28.571 5.358 -25.805 1.00 0.00 H new ATOM 686 N GLU C 134 28.535 -0.378 -26.193 1.00 0.00 N ATOM 687 CA GLU C 134 27.936 -1.550 -26.894 1.00 0.00 C ATOM 688 C GLU C 134 27.786 -2.747 -25.933 1.00 0.00 C ATOM 689 O GLU C 134 26.768 -3.431 -25.962 1.00 0.00 O ATOM 690 CB GLU C 134 28.915 -1.901 -28.036 1.00 0.00 C ATOM 691 CG GLU C 134 28.392 -1.342 -29.368 1.00 0.00 C ATOM 692 CD GLU C 134 27.569 -2.416 -30.045 1.00 0.00 C ATOM 693 OE1 GLU C 134 28.143 -3.227 -30.751 1.00 0.00 O1- ATOM 694 OE2 GLU C 134 26.388 -2.464 -29.820 1.00 0.00 O ATOM 0 H GLU C 134 29.454 -0.092 -26.532 1.00 0.00 H new ATOM 0 HA GLU C 134 26.939 -1.319 -27.270 1.00 0.00 H new ATOM 0 HB2 GLU C 134 29.900 -1.488 -27.821 1.00 0.00 H new ATOM 0 HB3 GLU C 134 29.031 -2.982 -28.107 1.00 0.00 H new ATOM 0 HG2 GLU C 134 27.786 -0.453 -29.195 1.00 0.00 H new ATOM 0 HG3 GLU C 134 29.223 -1.042 -30.006 1.00 0.00 H new ATOM 701 N GLU C 135 28.770 -3.036 -25.101 1.00 0.00 N ATOM 702 CA GLU C 135 28.613 -4.224 -24.193 1.00 0.00 C ATOM 703 C GLU C 135 27.483 -3.977 -23.191 1.00 0.00 C ATOM 704 O GLU C 135 26.618 -4.833 -23.011 1.00 0.00 O ATOM 705 CB GLU C 135 29.953 -4.419 -23.484 1.00 0.00 C ATOM 706 CG GLU C 135 29.940 -5.788 -22.768 1.00 0.00 C ATOM 707 CD GLU C 135 31.246 -6.050 -22.028 1.00 0.00 C ATOM 708 OE1 GLU C 135 32.186 -5.298 -22.182 1.00 0.00 O ATOM 709 OE2 GLU C 135 31.298 -7.026 -21.325 1.00 0.00 O1- ATOM 0 H GLU C 135 29.645 -2.519 -25.013 1.00 0.00 H new ATOM 0 HA GLU C 135 28.349 -5.121 -24.753 1.00 0.00 H new ATOM 0 HB2 GLU C 135 30.771 -4.377 -24.203 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.120 -3.618 -22.764 1.00 0.00 H new ATOM 0 HG2 GLU C 135 29.109 -5.822 -22.063 1.00 0.00 H new ATOM 0 HG3 GLU C 135 29.771 -6.579 -23.499 1.00 0.00 H new ATOM 716 N LEU C 136 27.412 -2.788 -22.613 1.00 0.00 N ATOM 717 CA LEU C 136 26.255 -2.475 -21.697 1.00 0.00 C ATOM 718 C LEU C 136 24.938 -2.609 -22.486 1.00 0.00 C ATOM 719 O LEU C 136 23.961 -3.144 -21.982 1.00 0.00 O ATOM 720 CB LEU C 136 26.478 -1.029 -21.179 1.00 0.00 C ATOM 721 CG LEU C 136 27.389 -1.049 -19.918 1.00 0.00 C ATOM 722 CD1 LEU C 136 28.852 -1.241 -20.298 1.00 0.00 C ATOM 723 CD2 LEU C 136 27.255 0.270 -19.161 1.00 0.00 C ATOM 0 H LEU C 136 28.091 -2.037 -22.733 1.00 0.00 H new ATOM 0 HA LEU C 136 26.195 -3.161 -20.852 1.00 0.00 H new ATOM 0 HB2 LEU C 136 26.936 -0.421 -21.959 1.00 0.00 H new ATOM 0 HB3 LEU C 136 25.520 -0.569 -20.938 1.00 0.00 H new ATOM 0 HG LEU C 136 27.071 -1.882 -19.292 1.00 0.00 H new ATOM 0 HD11 LEU C 136 29.464 -1.251 -19.396 1.00 0.00 H new ATOM 0 HD12 LEU C 136 28.970 -2.187 -20.826 1.00 0.00 H new ATOM 0 HD13 LEU C 136 29.171 -0.423 -20.944 1.00 0.00 H new ATOM 0 HD21 LEU C 136 27.895 0.250 -18.279 1.00 0.00 H new ATOM 0 HD22 LEU C 136 27.555 1.093 -19.809 1.00 0.00 H new ATOM 0 HD23 LEU C 136 26.219 0.410 -18.854 1.00 0.00 H new ATOM 735 N MET C 137 24.933 -2.211 -23.753 1.00 0.00 N ATOM 736 CA MET C 137 23.708 -2.425 -24.614 1.00 0.00 C ATOM 737 C MET C 137 23.431 -3.921 -24.747 1.00 0.00 C ATOM 738 O MET C 137 22.317 -4.367 -24.570 1.00 0.00 O ATOM 739 CB MET C 137 24.080 -1.833 -26.005 1.00 0.00 C ATOM 740 CG MET C 137 23.024 -2.210 -27.065 1.00 0.00 C ATOM 741 SD MET C 137 21.489 -1.305 -26.764 1.00 0.00 S ATOM 742 CE MET C 137 20.379 -2.455 -27.619 1.00 0.00 C ATOM 0 H MET C 137 25.715 -1.753 -24.220 1.00 0.00 H new ATOM 0 HA MET C 137 22.819 -1.956 -24.192 1.00 0.00 H new ATOM 0 HB2 MET C 137 24.158 -0.748 -25.934 1.00 0.00 H new ATOM 0 HB3 MET C 137 25.058 -2.203 -26.312 1.00 0.00 H new ATOM 0 HG2 MET C 137 23.401 -1.981 -28.062 1.00 0.00 H new ATOM 0 HG3 MET C 137 22.834 -3.283 -27.035 1.00 0.00 H new ATOM 0 HE1 MET C 137 19.429 -2.506 -27.088 1.00 0.00 H new ATOM 0 HE2 MET C 137 20.207 -2.106 -28.637 1.00 0.00 H new ATOM 0 HE3 MET C 137 20.833 -3.446 -27.647 1.00 0.00 H new ATOM 752 N LYS C 138 24.437 -4.688 -25.080 1.00 0.00 N ATOM 753 CA LYS C 138 24.241 -6.169 -25.259 1.00 0.00 C ATOM 754 C LYS C 138 23.803 -6.823 -23.952 1.00 0.00 C ATOM 755 O LYS C 138 22.911 -7.648 -23.958 1.00 0.00 O ATOM 756 CB LYS C 138 25.592 -6.692 -25.750 1.00 0.00 C ATOM 757 CG LYS C 138 25.832 -6.105 -27.150 1.00 0.00 C ATOM 758 CD LYS C 138 27.277 -6.295 -27.577 1.00 0.00 C ATOM 759 CE LYS C 138 27.653 -5.139 -28.525 1.00 0.00 C ATOM 760 NZ LYS C 138 27.390 -5.625 -29.904 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.389 -4.358 -25.237 1.00 0.00 H new ATOM 0 HA LYS C 138 23.450 -6.402 -25.972 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.389 -6.396 -25.068 1.00 0.00 H new ATOM 0 HB3 LYS C 138 25.592 -7.781 -25.786 1.00 0.00 H new ATOM 0 HG2 LYS C 138 25.170 -6.587 -27.869 1.00 0.00 H new ATOM 0 HG3 LYS C 138 25.585 -5.043 -27.151 1.00 0.00 H new ATOM 0 HD2 LYS C 138 27.933 -6.302 -26.707 1.00 0.00 H new ATOM 0 HD3 LYS C 138 27.403 -7.255 -28.079 1.00 0.00 H new ATOM 0 HE2 LYS C 138 27.061 -4.250 -28.307 1.00 0.00 H new ATOM 0 HE3 LYS C 138 28.700 -4.862 -28.404 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 27.629 -4.878 -30.587 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 27.972 -6.466 -30.093 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 26.384 -5.872 -29.999 1.00 0.00 H new ATOM 774 N ASP C 139 24.374 -6.433 -22.810 1.00 0.00 N ATOM 775 CA ASP C 139 23.860 -7.032 -21.525 1.00 0.00 C ATOM 776 C ASP C 139 22.416 -6.617 -21.343 1.00 0.00 C ATOM 777 O ASP C 139 21.599 -7.408 -20.922 1.00 0.00 O ATOM 778 CB ASP C 139 24.685 -6.465 -20.361 1.00 0.00 C ATOM 779 CG ASP C 139 24.287 -7.212 -19.089 1.00 0.00 C ATOM 780 OD1 ASP C 139 24.868 -8.235 -18.825 1.00 0.00 O ATOM 781 OD2 ASP C 139 23.372 -6.784 -18.421 1.00 0.00 O1- ATOM 0 H ASP C 139 25.135 -5.760 -22.721 1.00 0.00 H new ATOM 0 HA ASP C 139 23.939 -8.119 -21.553 1.00 0.00 H new ATOM 0 HB2 ASP C 139 25.751 -6.586 -20.556 1.00 0.00 H new ATOM 0 HB3 ASP C 139 24.500 -5.397 -20.249 1.00 0.00 H new ATOM 786 N GLY C 140 22.098 -5.377 -21.620 1.00 0.00 N ATOM 787 CA GLY C 140 20.698 -4.912 -21.465 1.00 0.00 C ATOM 788 C GLY C 140 19.799 -5.646 -22.450 1.00 0.00 C ATOM 789 O GLY C 140 18.713 -6.090 -22.103 1.00 0.00 O ATOM 0 H GLY C 140 22.755 -4.669 -21.948 1.00 0.00 H new ATOM 0 HA2 GLY C 140 20.357 -5.090 -20.445 1.00 0.00 H new ATOM 0 HA3 GLY C 140 20.641 -3.837 -21.638 1.00 0.00 H new ATOM 793 N ASP C 141 20.224 -5.758 -23.681 1.00 0.00 N ATOM 794 CA ASP C 141 19.381 -6.417 -24.722 1.00 0.00 C ATOM 795 C ASP C 141 19.585 -7.924 -24.642 1.00 0.00 C ATOM 796 O ASP C 141 20.295 -8.520 -25.437 1.00 0.00 O ATOM 797 CB ASP C 141 19.890 -5.842 -26.066 1.00 0.00 C ATOM 798 CG ASP C 141 18.913 -6.082 -27.198 1.00 0.00 C ATOM 799 OD1 ASP C 141 17.796 -6.501 -26.945 1.00 0.00 O ATOM 800 OD2 ASP C 141 19.263 -5.826 -28.302 1.00 0.00 O1- ATOM 0 H ASP C 141 21.127 -5.418 -24.013 1.00 0.00 H new ATOM 0 HA ASP C 141 18.314 -6.233 -24.599 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.063 -4.771 -25.959 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.849 -6.297 -26.314 1.00 0.00 H new ATOM 805 N LYS C 142 18.929 -8.544 -23.711 1.00 0.00 N ATOM 806 CA LYS C 142 19.055 -10.038 -23.514 1.00 0.00 C ATOM 807 C LYS C 142 18.642 -10.782 -24.788 1.00 0.00 C ATOM 808 O LYS C 142 19.225 -11.794 -25.132 1.00 0.00 O ATOM 809 CB LYS C 142 18.068 -10.384 -22.382 1.00 0.00 C ATOM 810 CG LYS C 142 18.367 -9.547 -21.113 1.00 0.00 C ATOM 811 CD LYS C 142 19.736 -9.904 -20.534 1.00 0.00 C ATOM 812 CE LYS C 142 19.964 -9.057 -19.270 1.00 0.00 C ATOM 813 NZ LYS C 142 21.434 -9.034 -19.057 1.00 0.00 N1+ ATOM 0 H LYS C 142 18.295 -8.084 -23.058 1.00 0.00 H new ATOM 0 HA LYS C 142 20.080 -10.325 -23.279 1.00 0.00 H new ATOM 0 HB2 LYS C 142 17.047 -10.196 -22.714 1.00 0.00 H new ATOM 0 HB3 LYS C 142 18.136 -11.446 -22.146 1.00 0.00 H new ATOM 0 HG2 LYS C 142 18.337 -8.485 -21.357 1.00 0.00 H new ATOM 0 HG3 LYS C 142 17.594 -9.724 -20.365 1.00 0.00 H new ATOM 0 HD2 LYS C 142 19.780 -10.966 -20.292 1.00 0.00 H new ATOM 0 HD3 LYS C 142 20.520 -9.711 -21.267 1.00 0.00 H new ATOM 0 HE2 LYS C 142 19.572 -8.048 -19.399 1.00 0.00 H new ATOM 0 HE3 LYS C 142 19.451 -9.490 -18.411 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 21.643 -8.621 -18.126 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 21.806 -10.005 -19.096 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 21.883 -8.461 -19.799 1.00 0.00 H new ATOM 827 N ASN C 143 17.636 -10.296 -25.485 1.00 0.00 N ATOM 828 CA ASN C 143 17.187 -10.997 -26.744 1.00 0.00 C ATOM 829 C ASN C 143 17.924 -10.466 -27.984 1.00 0.00 C ATOM 830 O ASN C 143 17.582 -10.838 -29.101 1.00 0.00 O ATOM 831 CB ASN C 143 15.673 -10.721 -26.864 1.00 0.00 C ATOM 832 CG ASN C 143 14.888 -11.950 -26.407 1.00 0.00 C ATOM 833 OD1 ASN C 143 14.445 -12.730 -27.218 1.00 0.00 O ATOM 834 ND2 ASN C 143 14.700 -12.170 -25.141 1.00 0.00 N ATOM 0 H ASN C 143 17.111 -9.456 -25.243 1.00 0.00 H new ATOM 0 HA ASN C 143 17.407 -12.063 -26.690 1.00 0.00 H new ATOM 0 HB2 ASN C 143 15.402 -9.858 -26.257 1.00 0.00 H new ATOM 0 HB3 ASN C 143 15.418 -10.478 -27.896 1.00 0.00 H new ATOM 0 HD21 ASN C 143 14.182 -12.995 -24.838 1.00 0.00 H new ATOM 0 HD22 ASN C 143 15.070 -11.518 -24.450 1.00 0.00 H new ATOM 841 N ASN C 144 18.894 -9.554 -27.821 1.00 0.00 N ATOM 842 CA ASN C 144 19.611 -8.942 -29.010 1.00 0.00 C ATOM 843 C ASN C 144 18.569 -8.437 -30.037 1.00 0.00 C ATOM 844 O ASN C 144 18.696 -8.636 -31.242 1.00 0.00 O ATOM 845 CB ASN C 144 20.510 -10.049 -29.606 1.00 0.00 C ATOM 846 CG ASN C 144 21.480 -9.423 -30.618 1.00 0.00 C ATOM 847 OD1 ASN C 144 22.289 -8.579 -30.268 1.00 0.00 O ATOM 848 ND2 ASN C 144 21.440 -9.786 -31.862 1.00 0.00 N ATOM 0 H ASN C 144 19.212 -9.214 -26.914 1.00 0.00 H new ATOM 0 HA ASN C 144 20.220 -8.085 -28.723 1.00 0.00 H new ATOM 0 HB2 ASN C 144 21.066 -10.549 -28.813 1.00 0.00 H new ATOM 0 HB3 ASN C 144 19.898 -10.808 -30.093 1.00 0.00 H new ATOM 0 HD21 ASN C 144 22.080 -9.367 -32.536 1.00 0.00 H new ATOM 0 HD22 ASN C 144 20.768 -10.491 -32.166 1.00 0.00 H new ATOM 855 N ASP C 145 17.521 -7.803 -29.552 1.00 0.00 N ATOM 856 CA ASP C 145 16.422 -7.265 -30.454 1.00 0.00 C ATOM 857 C ASP C 145 16.666 -5.787 -30.831 1.00 0.00 C ATOM 858 O ASP C 145 15.818 -5.157 -31.456 1.00 0.00 O ATOM 859 CB ASP C 145 15.078 -7.430 -29.669 1.00 0.00 C ATOM 860 CG ASP C 145 15.198 -6.895 -28.257 1.00 0.00 C ATOM 861 OD1 ASP C 145 15.309 -5.751 -28.058 1.00 0.00 O1- ATOM 862 OD2 ASP C 145 15.256 -7.645 -27.361 1.00 0.00 O ATOM 0 H ASP C 145 17.372 -7.629 -28.558 1.00 0.00 H new ATOM 0 HA ASP C 145 16.397 -7.815 -31.395 1.00 0.00 H new ATOM 0 HB2 ASP C 145 14.281 -6.903 -30.193 1.00 0.00 H new ATOM 0 HB3 ASP C 145 14.798 -8.483 -29.639 1.00 0.00 H new ATOM 867 N GLY C 146 17.791 -5.223 -30.464 1.00 0.00 N ATOM 868 CA GLY C 146 18.090 -3.807 -30.836 1.00 0.00 C ATOM 869 C GLY C 146 17.705 -2.833 -29.714 1.00 0.00 C ATOM 870 O GLY C 146 18.041 -1.659 -29.782 1.00 0.00 O ATOM 0 H GLY C 146 18.518 -5.687 -29.920 1.00 0.00 H new ATOM 0 HA2 GLY C 146 19.152 -3.705 -31.058 1.00 0.00 H new ATOM 0 HA3 GLY C 146 17.548 -3.547 -31.745 1.00 0.00 H new ATOM 874 N ARG C 147 17.024 -3.280 -28.680 1.00 0.00 N ATOM 875 CA ARG C 147 16.638 -2.342 -27.568 1.00 0.00 C ATOM 876 C ARG C 147 16.558 -3.083 -26.242 1.00 0.00 C ATOM 877 O ARG C 147 16.424 -4.344 -26.194 1.00 0.00 O ATOM 878 CB ARG C 147 15.247 -1.733 -27.948 1.00 0.00 C ATOM 879 CG ARG C 147 14.282 -2.801 -28.538 1.00 0.00 C ATOM 880 CD ARG C 147 13.128 -3.095 -27.561 1.00 0.00 C ATOM 881 NE ARG C 147 12.120 -2.029 -27.849 1.00 0.00 N ATOM 882 CZ ARG C 147 10.990 -2.330 -28.454 1.00 0.00 C ATOM 883 NH1 ARG C 147 10.121 -3.108 -27.857 1.00 0.00 N1+ ATOM 884 NH2 ARG C 147 10.769 -1.873 -29.663 1.00 0.00 N ATOM 0 H ARG C 147 16.720 -4.246 -28.557 1.00 0.00 H new ATOM 0 HA ARG C 147 17.384 -1.556 -27.448 1.00 0.00 H new ATOM 0 HB2 ARG C 147 14.794 -1.285 -27.064 1.00 0.00 H new ATOM 0 HB3 ARG C 147 15.388 -0.932 -28.674 1.00 0.00 H new ATOM 0 HG2 ARG C 147 13.880 -2.449 -29.488 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.832 -3.719 -28.746 1.00 0.00 H new ATOM 0 HD2 ARG C 147 12.713 -4.090 -27.724 1.00 0.00 H new ATOM 0 HD3 ARG C 147 13.464 -3.055 -26.525 1.00 0.00 H new ATOM 0 HE ARG C 147 12.309 -1.065 -27.576 1.00 0.00 H new ATOM 0 HH11 ARG C 147 10.321 -3.478 -26.928 1.00 0.00 H new ATOM 0 HH12 ARG C 147 9.244 -3.344 -28.322 1.00 0.00 H new ATOM 0 HH21 ARG C 147 11.469 -1.291 -30.124 1.00 0.00 H new ATOM 0 HH22 ARG C 147 9.897 -2.099 -30.142 1.00 0.00 H new ATOM 898 N ILE C 148 16.556 -2.354 -25.160 1.00 0.00 N ATOM 899 CA ILE C 148 16.390 -3.024 -23.853 1.00 0.00 C ATOM 900 C ILE C 148 14.934 -2.790 -23.481 1.00 0.00 C ATOM 901 O ILE C 148 14.507 -1.644 -23.314 1.00 0.00 O ATOM 902 CB ILE C 148 17.312 -2.275 -22.829 1.00 0.00 C ATOM 903 CG1 ILE C 148 18.682 -1.867 -23.444 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.575 -3.185 -21.631 1.00 0.00 C ATOM 905 CD1 ILE C 148 19.328 -3.039 -24.175 1.00 0.00 C ATOM 0 H ILE C 148 16.661 -1.340 -25.129 1.00 0.00 H new ATOM 0 HA ILE C 148 16.641 -4.085 -23.866 1.00 0.00 H new ATOM 0 HB ILE C 148 16.791 -1.365 -22.533 1.00 0.00 H new ATOM 0 HG12 ILE C 148 18.540 -1.037 -24.136 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.347 -1.515 -22.656 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.216 -2.669 -20.916 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.629 -3.440 -21.153 1.00 0.00 H new ATOM 0 HG23 ILE C 148 18.068 -4.097 -21.968 1.00 0.00 H new ATOM 0 HD11 ILE C 148 20.284 -2.724 -24.594 1.00 0.00 H new ATOM 0 HD12 ILE C 148 19.491 -3.859 -23.475 1.00 0.00 H new ATOM 0 HD13 ILE C 148 18.672 -3.373 -24.979 1.00 0.00 H new ATOM 917 N ASP C 149 14.160 -3.829 -23.419 1.00 0.00 N ATOM 918 CA ASP C 149 12.718 -3.668 -23.094 1.00 0.00 C ATOM 919 C ASP C 149 12.536 -3.766 -21.593 1.00 0.00 C ATOM 920 O ASP C 149 13.506 -3.957 -20.851 1.00 0.00 O ATOM 921 CB ASP C 149 11.968 -4.790 -23.813 1.00 0.00 C ATOM 922 CG ASP C 149 10.681 -4.214 -24.359 1.00 0.00 C ATOM 923 OD1 ASP C 149 9.854 -3.812 -23.572 1.00 0.00 O1- ATOM 924 OD2 ASP C 149 10.566 -4.135 -25.558 1.00 0.00 O ATOM 0 H ASP C 149 14.463 -4.790 -23.580 1.00 0.00 H new ATOM 0 HA ASP C 149 12.334 -2.700 -23.416 1.00 0.00 H new ATOM 0 HB2 ASP C 149 12.576 -5.199 -24.620 1.00 0.00 H new ATOM 0 HB3 ASP C 149 11.758 -5.610 -23.126 1.00 0.00 H new ATOM 929 N TYR C 150 11.338 -3.582 -21.118 1.00 0.00 N ATOM 930 CA TYR C 150 11.116 -3.587 -19.636 1.00 0.00 C ATOM 931 C TYR C 150 11.569 -4.932 -19.018 1.00 0.00 C ATOM 932 O TYR C 150 12.342 -4.943 -18.058 1.00 0.00 O ATOM 933 CB TYR C 150 9.603 -3.373 -19.461 1.00 0.00 C ATOM 934 CG TYR C 150 9.292 -3.160 -18.002 1.00 0.00 C ATOM 935 CD1 TYR C 150 9.642 -1.955 -17.396 1.00 0.00 C ATOM 936 CD2 TYR C 150 8.655 -4.158 -17.258 1.00 0.00 C ATOM 937 CE1 TYR C 150 9.369 -1.749 -16.053 1.00 0.00 C ATOM 938 CE2 TYR C 150 8.378 -3.947 -15.907 1.00 0.00 C ATOM 939 CZ TYR C 150 8.728 -2.739 -15.307 1.00 0.00 C ATOM 940 OH TYR C 150 8.454 -2.525 -13.980 1.00 0.00 O ATOM 0 H TYR C 150 10.503 -3.429 -21.683 1.00 0.00 H new ATOM 0 HA TYR C 150 11.694 -2.814 -19.129 1.00 0.00 H new ATOM 0 HB2 TYR C 150 9.277 -2.511 -20.043 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.056 -4.237 -19.838 1.00 0.00 H new ATOM 0 HD1 TYR C 150 10.126 -1.181 -17.973 1.00 0.00 H new ATOM 0 HD2 TYR C 150 8.378 -5.090 -17.728 1.00 0.00 H new ATOM 0 HE1 TYR C 150 9.653 -0.819 -15.582 1.00 0.00 H new ATOM 0 HE2 TYR C 150 7.893 -4.719 -15.327 1.00 0.00 H new ATOM 0 HH TYR C 150 8.004 -3.312 -13.608 1.00 0.00 H new ATOM 950 N ASP C 151 11.167 -6.059 -19.592 1.00 0.00 N ATOM 951 CA ASP C 151 11.646 -7.391 -19.046 1.00 0.00 C ATOM 952 C ASP C 151 13.172 -7.497 -19.159 1.00 0.00 C ATOM 953 O ASP C 151 13.838 -7.867 -18.202 1.00 0.00 O ATOM 954 CB ASP C 151 10.961 -8.494 -19.886 1.00 0.00 C ATOM 955 CG ASP C 151 9.520 -8.685 -19.428 1.00 0.00 C ATOM 956 OD1 ASP C 151 9.319 -9.001 -18.273 1.00 0.00 O ATOM 957 OD2 ASP C 151 8.631 -8.514 -20.228 1.00 0.00 O1- ATOM 0 H ASP C 151 10.542 -6.115 -20.396 1.00 0.00 H new ATOM 0 HA ASP C 151 11.391 -7.494 -17.991 1.00 0.00 H new ATOM 0 HB2 ASP C 151 10.982 -8.223 -20.942 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.509 -9.431 -19.786 1.00 0.00 H new ATOM 962 N GLU C 152 13.744 -7.098 -20.296 1.00 0.00 N ATOM 963 CA GLU C 152 15.252 -7.123 -20.435 1.00 0.00 C ATOM 964 C GLU C 152 15.867 -6.181 -19.380 1.00 0.00 C ATOM 965 O GLU C 152 16.922 -6.463 -18.809 1.00 0.00 O ATOM 966 CB GLU C 152 15.571 -6.570 -21.857 1.00 0.00 C ATOM 967 CG GLU C 152 15.023 -7.495 -22.968 1.00 0.00 C ATOM 968 CD GLU C 152 15.499 -7.007 -24.322 1.00 0.00 C ATOM 969 OE1 GLU C 152 14.970 -6.082 -24.844 1.00 0.00 O ATOM 970 OE2 GLU C 152 16.403 -7.531 -24.849 1.00 0.00 O1- ATOM 0 H GLU C 152 13.238 -6.763 -21.116 1.00 0.00 H new ATOM 0 HA GLU C 152 15.653 -8.127 -20.296 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.139 -5.575 -21.966 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.650 -6.463 -21.972 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.359 -8.518 -22.801 1.00 0.00 H new ATOM 0 HG3 GLU C 152 13.933 -7.509 -22.938 1.00 0.00 H new ATOM 977 N PHE C 153 15.230 -5.050 -19.134 1.00 0.00 N ATOM 978 CA PHE C 153 15.779 -4.082 -18.143 1.00 0.00 C ATOM 979 C PHE C 153 15.832 -4.675 -16.745 1.00 0.00 C ATOM 980 O PHE C 153 16.831 -4.519 -16.062 1.00 0.00 O ATOM 981 CB PHE C 153 14.895 -2.830 -18.183 1.00 0.00 C ATOM 982 CG PHE C 153 15.470 -1.793 -17.232 1.00 0.00 C ATOM 983 CD1 PHE C 153 16.658 -1.126 -17.556 1.00 0.00 C ATOM 984 CD2 PHE C 153 14.834 -1.528 -16.015 1.00 0.00 C ATOM 985 CE1 PHE C 153 17.192 -0.180 -16.677 1.00 0.00 C ATOM 986 CE2 PHE C 153 15.373 -0.582 -15.134 1.00 0.00 C ATOM 987 CZ PHE C 153 16.554 0.089 -15.464 1.00 0.00 C ATOM 0 H PHE C 153 14.358 -4.766 -19.580 1.00 0.00 H new ATOM 0 HA PHE C 153 16.807 -3.830 -18.402 1.00 0.00 H new ATOM 0 HB2 PHE C 153 14.853 -2.430 -19.196 1.00 0.00 H new ATOM 0 HB3 PHE C 153 13.874 -3.080 -17.896 1.00 0.00 H new ATOM 0 HD1 PHE C 153 17.162 -1.343 -18.486 1.00 0.00 H new ATOM 0 HD2 PHE C 153 13.927 -2.053 -15.754 1.00 0.00 H new ATOM 0 HE1 PHE C 153 18.100 0.344 -16.936 1.00 0.00 H new ATOM 0 HE2 PHE C 153 14.876 -0.371 -14.199 1.00 0.00 H new ATOM 0 HZ PHE C 153 16.973 0.814 -14.782 1.00 0.00 H new ATOM 997 N LEU C 154 14.786 -5.347 -16.301 1.00 0.00 N ATOM 998 CA LEU C 154 14.823 -5.937 -14.912 1.00 0.00 C ATOM 999 C LEU C 154 16.064 -6.833 -14.765 1.00 0.00 C ATOM 1000 O LEU C 154 16.760 -6.769 -13.765 1.00 0.00 O ATOM 1001 CB LEU C 154 13.528 -6.772 -14.769 1.00 0.00 C ATOM 1002 CG LEU C 154 13.462 -7.412 -13.364 1.00 0.00 C ATOM 1003 CD1 LEU C 154 13.206 -6.349 -12.294 1.00 0.00 C ATOM 1004 CD2 LEU C 154 12.334 -8.437 -13.322 1.00 0.00 C ATOM 0 H LEU C 154 13.927 -5.510 -16.826 1.00 0.00 H new ATOM 0 HA LEU C 154 14.880 -5.168 -14.142 1.00 0.00 H new ATOM 0 HB2 LEU C 154 12.657 -6.137 -14.929 1.00 0.00 H new ATOM 0 HB3 LEU C 154 13.501 -7.549 -15.533 1.00 0.00 H new ATOM 0 HG LEU C 154 14.418 -7.895 -13.162 1.00 0.00 H new ATOM 0 HD11 LEU C 154 13.163 -6.823 -11.313 1.00 0.00 H new ATOM 0 HD12 LEU C 154 14.013 -5.616 -12.308 1.00 0.00 H new ATOM 0 HD13 LEU C 154 12.259 -5.849 -12.497 1.00 0.00 H new ATOM 0 HD21 LEU C 154 12.289 -8.888 -12.331 1.00 0.00 H new ATOM 0 HD22 LEU C 154 11.386 -7.944 -13.540 1.00 0.00 H new ATOM 0 HD23 LEU C 154 12.519 -9.213 -14.065 1.00 0.00 H new ATOM 1016 N GLU C 155 16.387 -7.629 -15.766 1.00 0.00 N ATOM 1017 CA GLU C 155 17.632 -8.460 -15.649 1.00 0.00 C ATOM 1018 C GLU C 155 18.867 -7.536 -15.686 1.00 0.00 C ATOM 1019 O GLU C 155 19.802 -7.693 -14.915 1.00 0.00 O ATOM 1020 CB GLU C 155 17.653 -9.378 -16.864 1.00 0.00 C ATOM 1021 CG GLU C 155 16.415 -10.290 -16.875 1.00 0.00 C ATOM 1022 CD GLU C 155 16.563 -11.390 -17.929 1.00 0.00 C ATOM 1023 OE1 GLU C 155 17.521 -11.375 -18.677 1.00 0.00 O ATOM 1024 OE2 GLU C 155 15.739 -12.259 -17.935 1.00 0.00 O1- ATOM 0 H GLU C 155 15.859 -7.737 -16.632 1.00 0.00 H new ATOM 0 HA GLU C 155 17.647 -9.028 -14.719 1.00 0.00 H new ATOM 0 HB2 GLU C 155 17.680 -8.782 -17.776 1.00 0.00 H new ATOM 0 HB3 GLU C 155 18.558 -9.985 -16.852 1.00 0.00 H new ATOM 0 HG2 GLU C 155 16.279 -10.738 -15.891 1.00 0.00 H new ATOM 0 HG3 GLU C 155 15.523 -9.699 -17.082 1.00 0.00 H new ATOM 1031 N PHE C 156 18.850 -6.557 -16.571 1.00 0.00 N ATOM 1032 CA PHE C 156 19.991 -5.584 -16.692 1.00 0.00 C ATOM 1033 C PHE C 156 20.199 -4.840 -15.372 1.00 0.00 C ATOM 1034 O PHE C 156 21.308 -4.813 -14.852 1.00 0.00 O ATOM 1035 CB PHE C 156 19.531 -4.619 -17.810 1.00 0.00 C ATOM 1036 CG PHE C 156 20.583 -3.579 -18.120 1.00 0.00 C ATOM 1037 CD1 PHE C 156 21.783 -3.946 -18.735 1.00 0.00 C ATOM 1038 CD2 PHE C 156 20.334 -2.238 -17.814 1.00 0.00 C ATOM 1039 CE1 PHE C 156 22.730 -2.975 -19.051 1.00 0.00 C ATOM 1040 CE2 PHE C 156 21.283 -1.264 -18.125 1.00 0.00 C ATOM 1041 CZ PHE C 156 22.485 -1.631 -18.743 1.00 0.00 C ATOM 0 H PHE C 156 18.083 -6.391 -17.222 1.00 0.00 H new ATOM 0 HA PHE C 156 20.943 -6.064 -16.920 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.305 -5.188 -18.712 1.00 0.00 H new ATOM 0 HB3 PHE C 156 18.609 -4.124 -17.506 1.00 0.00 H new ATOM 0 HD1 PHE C 156 21.976 -4.983 -18.965 1.00 0.00 H new ATOM 0 HD2 PHE C 156 19.407 -1.956 -17.337 1.00 0.00 H new ATOM 0 HE1 PHE C 156 23.654 -3.259 -19.534 1.00 0.00 H new ATOM 0 HE2 PHE C 156 21.091 -0.228 -17.889 1.00 0.00 H new ATOM 0 HZ PHE C 156 23.222 -0.879 -18.982 1.00 0.00 H new ATOM 1051 N MET C 157 19.145 -4.289 -14.782 1.00 0.00 N ATOM 1052 CA MET C 157 19.328 -3.595 -13.453 1.00 0.00 C ATOM 1053 C MET C 157 19.725 -4.604 -12.368 1.00 0.00 C ATOM 1054 O MET C 157 20.568 -4.313 -11.543 1.00 0.00 O ATOM 1055 CB MET C 157 18.015 -2.842 -13.076 1.00 0.00 C ATOM 1056 CG MET C 157 16.769 -3.708 -13.283 1.00 0.00 C ATOM 1057 SD MET C 157 15.666 -3.536 -11.860 1.00 0.00 S ATOM 1058 CE MET C 157 16.107 -5.091 -11.041 1.00 0.00 C ATOM 0 H MET C 157 18.195 -4.290 -15.152 1.00 0.00 H new ATOM 0 HA MET C 157 20.136 -2.867 -13.532 1.00 0.00 H new ATOM 0 HB2 MET C 157 18.066 -2.526 -12.034 1.00 0.00 H new ATOM 0 HB3 MET C 157 17.931 -1.938 -13.679 1.00 0.00 H new ATOM 0 HG2 MET C 157 16.252 -3.407 -14.195 1.00 0.00 H new ATOM 0 HG3 MET C 157 17.056 -4.752 -13.409 1.00 0.00 H new ATOM 0 HE1 MET C 157 15.507 -5.210 -10.139 1.00 0.00 H new ATOM 0 HE2 MET C 157 15.916 -5.925 -11.717 1.00 0.00 H new ATOM 0 HE3 MET C 157 17.164 -5.075 -10.774 1.00 0.00 H new