USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=14 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+ 160:sc= 1.93 (180deg=0.302) USER MOD Set 1.2: C 107 ASN : amide:sc= 0.673 K(o=2.6,f=-16!) USER MOD Single : C 98 SER OG : rot 88:sc= 1.26 USER MOD Single : C 103 MET CE :methyl -123:sc= -0.124 (180deg=-1.09) USER MOD Single : C 111 TYR OH : rot 180:sc= 0 USER MOD Single : C 118 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.09) USER MOD Single : C 120 MET CE :methyl 141:sc= -0.795! (180deg=-3.06!) USER MOD Single : C 122 GLN : amide:sc= -1.01 K(o=-1,f=-3) USER MOD Single : C 124 THR OG1 : rot 106:sc= 0.971 USER MOD Single : C 127 THR OG1 : rot 180:sc= 0.127 USER MOD Single : C 129 THR OG1 : rot 92:sc= 1.21 USER MOD Single : C 137 MET CE :methyl -126:sc= -5.12! (180deg=-9.08!) USER MOD Single : C 138 LYS NZ :NH3+ -113:sc= 0.781 (180deg=-3.24!) USER MOD Single : C 142 LYS NZ :NH3+ -149:sc= 0.57 (180deg=-2.54!) USER MOD Single : C 143 ASN : amide:sc= -1.14 K(o=-1.1,f=-17!) USER MOD Single : C 144 ASN : amide:sc= -0.625 K(o=-0.62,f=-2.4!) USER MOD Single : C 150 TYR OH : rot 130:sc= -1.16 USER MOD Single : C 157 MET CE :methyl -169:sc= -3.81! (180deg=-4.24!) USER MOD ----------------------------------------------------------------- ATOM 60 N GLU C 94 6.929 -5.755 -11.592 1.00 0.00 N ATOM 61 CA GLU C 94 6.601 -4.858 -12.760 1.00 0.00 C ATOM 62 C GLU C 94 6.394 -3.419 -12.245 1.00 0.00 C ATOM 63 O GLU C 94 6.750 -2.437 -12.899 1.00 0.00 O ATOM 64 CB GLU C 94 5.262 -5.389 -13.295 1.00 0.00 C ATOM 65 CG GLU C 94 5.430 -6.819 -13.850 1.00 0.00 C ATOM 66 CD GLU C 94 4.120 -7.319 -14.467 1.00 0.00 C ATOM 67 OE1 GLU C 94 3.091 -6.698 -14.269 1.00 0.00 O1- ATOM 68 OE2 GLU C 94 4.160 -8.331 -15.108 1.00 0.00 O ATOM 0 HA GLU C 94 7.386 -4.851 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU C 94 4.519 -5.387 -12.498 1.00 0.00 H new ATOM 0 HB3 GLU C 94 4.890 -4.730 -14.079 1.00 0.00 H new ATOM 0 HG2 GLU C 94 6.220 -6.832 -14.601 1.00 0.00 H new ATOM 0 HG3 GLU C 94 5.740 -7.491 -13.050 1.00 0.00 H new ATOM 75 N GLU C 95 5.798 -3.290 -11.087 1.00 0.00 N ATOM 76 CA GLU C 95 5.519 -1.942 -10.518 1.00 0.00 C ATOM 77 C GLU C 95 6.832 -1.240 -10.095 1.00 0.00 C ATOM 78 O GLU C 95 7.055 -0.107 -10.475 1.00 0.00 O ATOM 79 CB GLU C 95 4.595 -2.227 -9.330 1.00 0.00 C ATOM 80 CG GLU C 95 3.290 -2.865 -9.876 1.00 0.00 C ATOM 81 CD GLU C 95 2.291 -3.161 -8.771 1.00 0.00 C ATOM 82 OE1 GLU C 95 2.582 -2.929 -7.633 1.00 0.00 O1- ATOM 83 OE2 GLU C 95 1.247 -3.652 -9.099 1.00 0.00 O ATOM 0 H GLU C 95 5.491 -4.071 -10.507 1.00 0.00 H new ATOM 0 HA GLU C 95 5.056 -1.260 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU C 95 5.081 -2.900 -8.623 1.00 0.00 H new ATOM 0 HB3 GLU C 95 4.372 -1.306 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU C 95 2.836 -2.193 -10.604 1.00 0.00 H new ATOM 0 HG3 GLU C 95 3.531 -3.788 -10.402 1.00 0.00 H new ATOM 90 N GLU C 96 7.759 -1.936 -9.427 1.00 0.00 N ATOM 91 CA GLU C 96 9.090 -1.272 -9.095 1.00 0.00 C ATOM 92 C GLU C 96 9.845 -0.975 -10.400 1.00 0.00 C ATOM 93 O GLU C 96 10.428 0.088 -10.567 1.00 0.00 O ATOM 94 CB GLU C 96 9.887 -2.270 -8.185 1.00 0.00 C ATOM 95 CG GLU C 96 10.245 -3.571 -8.946 1.00 0.00 C ATOM 96 CD GLU C 96 10.997 -4.550 -8.060 1.00 0.00 C ATOM 97 OE1 GLU C 96 10.532 -4.828 -6.987 1.00 0.00 O1- ATOM 98 OE2 GLU C 96 12.019 -5.039 -8.491 1.00 0.00 O ATOM 0 H GLU C 96 7.656 -2.900 -9.109 1.00 0.00 H new ATOM 0 HA GLU C 96 8.954 -0.326 -8.571 1.00 0.00 H new ATOM 0 HB2 GLU C 96 10.800 -1.791 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU C 96 9.293 -2.514 -7.304 1.00 0.00 H new ATOM 0 HG2 GLU C 96 9.333 -4.040 -9.315 1.00 0.00 H new ATOM 0 HG3 GLU C 96 10.853 -3.328 -9.817 1.00 0.00 H new ATOM 105 N LEU C 97 9.782 -1.887 -11.353 1.00 0.00 N ATOM 106 CA LEU C 97 10.437 -1.651 -12.673 1.00 0.00 C ATOM 107 C LEU C 97 9.882 -0.402 -13.337 1.00 0.00 C ATOM 108 O LEU C 97 10.620 0.359 -13.934 1.00 0.00 O ATOM 109 CB LEU C 97 10.109 -2.906 -13.516 1.00 0.00 C ATOM 110 CG LEU C 97 10.413 -2.664 -15.007 1.00 0.00 C ATOM 111 CD1 LEU C 97 11.901 -2.469 -15.231 1.00 0.00 C ATOM 112 CD2 LEU C 97 9.926 -3.853 -15.807 1.00 0.00 C ATOM 0 H LEU C 97 9.302 -2.783 -11.265 1.00 0.00 H new ATOM 0 HA LEU C 97 11.511 -1.495 -12.570 1.00 0.00 H new ATOM 0 HB2 LEU C 97 10.692 -3.753 -13.155 1.00 0.00 H new ATOM 0 HB3 LEU C 97 9.058 -3.167 -13.393 1.00 0.00 H new ATOM 0 HG LEU C 97 9.900 -1.759 -15.331 1.00 0.00 H new ATOM 0 HD11 LEU C 97 12.090 -2.300 -16.291 1.00 0.00 H new ATOM 0 HD12 LEU C 97 12.245 -1.607 -14.659 1.00 0.00 H new ATOM 0 HD13 LEU C 97 12.438 -3.359 -14.904 1.00 0.00 H new ATOM 0 HD21 LEU C 97 10.137 -3.691 -16.864 1.00 0.00 H new ATOM 0 HD22 LEU C 97 10.438 -4.754 -15.469 1.00 0.00 H new ATOM 0 HD23 LEU C 97 8.852 -3.972 -15.665 1.00 0.00 H new ATOM 124 N SER C 98 8.593 -0.219 -13.300 1.00 0.00 N ATOM 125 CA SER C 98 7.983 0.930 -14.034 1.00 0.00 C ATOM 126 C SER C 98 8.586 2.273 -13.581 1.00 0.00 C ATOM 127 O SER C 98 8.987 3.075 -14.418 1.00 0.00 O ATOM 128 CB SER C 98 6.479 0.866 -13.701 1.00 0.00 C ATOM 129 OG SER C 98 5.924 -0.404 -14.152 1.00 0.00 O ATOM 0 H SER C 98 7.934 -0.812 -12.795 1.00 0.00 H new ATOM 0 HA SER C 98 8.171 0.865 -15.106 1.00 0.00 H new ATOM 0 HB2 SER C 98 6.331 0.977 -12.627 1.00 0.00 H new ATOM 0 HB3 SER C 98 5.956 1.693 -14.182 1.00 0.00 H new ATOM 0 HG SER C 98 6.031 -1.076 -13.447 1.00 0.00 H new ATOM 135 N ASP C 99 8.694 2.522 -12.286 1.00 0.00 N ATOM 136 CA ASP C 99 9.278 3.843 -11.837 1.00 0.00 C ATOM 137 C ASP C 99 10.716 4.005 -12.306 1.00 0.00 C ATOM 138 O ASP C 99 11.062 5.020 -12.910 1.00 0.00 O ATOM 139 CB ASP C 99 9.192 3.874 -10.303 1.00 0.00 C ATOM 140 CG ASP C 99 7.846 4.442 -9.893 1.00 0.00 C ATOM 141 OD1 ASP C 99 7.742 5.660 -9.777 1.00 0.00 O ATOM 142 OD2 ASP C 99 6.920 3.686 -9.763 1.00 0.00 O1- ATOM 0 H ASP C 99 8.412 1.888 -11.539 1.00 0.00 H new ATOM 0 HA ASP C 99 8.720 4.671 -12.273 1.00 0.00 H new ATOM 0 HB2 ASP C 99 9.315 2.869 -9.899 1.00 0.00 H new ATOM 0 HB3 ASP C 99 9.998 4.483 -9.893 1.00 0.00 H new ATOM 147 N LEU C 100 11.556 3.009 -12.098 1.00 0.00 N ATOM 148 CA LEU C 100 12.978 3.122 -12.592 1.00 0.00 C ATOM 149 C LEU C 100 13.009 3.130 -14.125 1.00 0.00 C ATOM 150 O LEU C 100 13.753 3.874 -14.727 1.00 0.00 O ATOM 151 CB LEU C 100 13.765 1.918 -12.010 1.00 0.00 C ATOM 152 CG LEU C 100 14.049 2.157 -10.503 1.00 0.00 C ATOM 153 CD1 LEU C 100 12.912 1.601 -9.653 1.00 0.00 C ATOM 154 CD2 LEU C 100 15.361 1.474 -10.093 1.00 0.00 C ATOM 0 H LEU C 100 11.326 2.139 -11.618 1.00 0.00 H new ATOM 0 HA LEU C 100 13.436 4.055 -12.264 1.00 0.00 H new ATOM 0 HB2 LEU C 100 13.193 1.000 -12.141 1.00 0.00 H new ATOM 0 HB3 LEU C 100 14.703 1.789 -12.551 1.00 0.00 H new ATOM 0 HG LEU C 100 14.131 3.232 -10.340 1.00 0.00 H new ATOM 0 HD11 LEU C 100 13.126 1.777 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU C 100 11.980 2.099 -9.922 1.00 0.00 H new ATOM 0 HD13 LEU C 100 12.816 0.530 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU C 100 15.547 1.650 -9.034 1.00 0.00 H new ATOM 0 HD22 LEU C 100 15.285 0.402 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU C 100 16.183 1.884 -10.679 1.00 0.00 H new ATOM 166 N PHE C 101 12.189 2.341 -14.764 1.00 0.00 N ATOM 167 CA PHE C 101 12.170 2.334 -16.271 1.00 0.00 C ATOM 168 C PHE C 101 11.807 3.749 -16.782 1.00 0.00 C ATOM 169 O PHE C 101 12.411 4.262 -17.710 1.00 0.00 O ATOM 170 CB PHE C 101 11.072 1.315 -16.632 1.00 0.00 C ATOM 171 CG PHE C 101 11.161 0.956 -18.079 1.00 0.00 C ATOM 172 CD1 PHE C 101 12.119 0.027 -18.498 1.00 0.00 C ATOM 173 CD2 PHE C 101 10.290 1.529 -19.001 1.00 0.00 C ATOM 174 CE1 PHE C 101 12.211 -0.327 -19.841 1.00 0.00 C ATOM 175 CE2 PHE C 101 10.383 1.177 -20.345 1.00 0.00 C ATOM 176 CZ PHE C 101 11.342 0.244 -20.766 1.00 0.00 C ATOM 0 H PHE C 101 11.531 1.701 -14.319 1.00 0.00 H new ATOM 0 HA PHE C 101 13.129 2.070 -16.718 1.00 0.00 H new ATOM 0 HB2 PHE C 101 11.180 0.420 -16.020 1.00 0.00 H new ATOM 0 HB3 PHE C 101 10.090 1.734 -16.413 1.00 0.00 H new ATOM 0 HD1 PHE C 101 12.789 -0.417 -17.777 1.00 0.00 H new ATOM 0 HD2 PHE C 101 9.547 2.242 -18.676 1.00 0.00 H new ATOM 0 HE1 PHE C 101 12.954 -1.042 -20.164 1.00 0.00 H new ATOM 0 HE2 PHE C 101 9.714 1.624 -21.066 1.00 0.00 H new ATOM 0 HZ PHE C 101 11.406 -0.031 -21.808 1.00 0.00 H new ATOM 186 N ARG C 102 10.828 4.387 -16.154 1.00 0.00 N ATOM 187 CA ARG C 102 10.417 5.780 -16.567 1.00 0.00 C ATOM 188 C ARG C 102 11.579 6.782 -16.462 1.00 0.00 C ATOM 189 O ARG C 102 11.681 7.673 -17.270 1.00 0.00 O ATOM 190 CB ARG C 102 9.272 6.170 -15.613 1.00 0.00 C ATOM 191 CG ARG C 102 7.979 5.457 -16.051 1.00 0.00 C ATOM 192 CD ARG C 102 6.983 5.308 -14.883 1.00 0.00 C ATOM 193 NE ARG C 102 7.045 6.569 -14.067 1.00 0.00 N ATOM 194 CZ ARG C 102 7.096 6.454 -12.762 1.00 0.00 C ATOM 195 NH1 ARG C 102 6.060 5.970 -12.112 1.00 0.00 N ATOM 196 NH2 ARG C 102 8.178 6.788 -12.122 1.00 0.00 N1+ ATOM 0 H ARG C 102 10.298 4.000 -15.373 1.00 0.00 H new ATOM 0 HA ARG C 102 10.108 5.799 -17.612 1.00 0.00 H new ATOM 0 HB2 ARG C 102 9.525 5.892 -14.590 1.00 0.00 H new ATOM 0 HB3 ARG C 102 9.127 7.250 -15.623 1.00 0.00 H new ATOM 0 HG2 ARG C 102 7.510 6.019 -16.859 1.00 0.00 H new ATOM 0 HG3 ARG C 102 8.224 4.472 -16.448 1.00 0.00 H new ATOM 0 HD2 ARG C 102 5.973 5.145 -15.260 1.00 0.00 H new ATOM 0 HD3 ARG C 102 7.238 4.443 -14.271 1.00 0.00 H new ATOM 0 HE ARG C 102 7.047 7.486 -14.515 1.00 0.00 H new ATOM 0 HH11 ARG C 102 5.224 5.687 -12.623 1.00 0.00 H new ATOM 0 HH12 ARG C 102 6.093 5.878 -11.097 1.00 0.00 H new ATOM 0 HH21 ARG C 102 8.986 7.139 -12.635 1.00 0.00 H new ATOM 0 HH22 ARG C 102 8.218 6.699 -11.107 1.00 0.00 H new ATOM 210 N MET C 103 12.424 6.686 -15.449 1.00 0.00 N ATOM 211 CA MET C 103 13.559 7.694 -15.347 1.00 0.00 C ATOM 212 C MET C 103 14.652 7.413 -16.401 1.00 0.00 C ATOM 213 O MET C 103 15.328 8.324 -16.843 1.00 0.00 O ATOM 214 CB MET C 103 14.145 7.641 -13.900 1.00 0.00 C ATOM 215 CG MET C 103 14.551 6.217 -13.501 1.00 0.00 C ATOM 216 SD MET C 103 15.463 6.255 -11.936 1.00 0.00 S ATOM 217 CE MET C 103 17.017 6.922 -12.586 1.00 0.00 C ATOM 0 H MET C 103 12.386 5.983 -14.711 1.00 0.00 H new ATOM 0 HA MET C 103 13.175 8.694 -15.548 1.00 0.00 H new ATOM 0 HB2 MET C 103 15.012 8.298 -13.835 1.00 0.00 H new ATOM 0 HB3 MET C 103 13.405 8.019 -13.194 1.00 0.00 H new ATOM 0 HG2 MET C 103 13.664 5.591 -13.401 1.00 0.00 H new ATOM 0 HG3 MET C 103 15.168 5.773 -14.282 1.00 0.00 H new ATOM 0 HE1 MET C 103 17.833 6.240 -12.348 1.00 0.00 H new ATOM 0 HE2 MET C 103 16.941 7.034 -13.668 1.00 0.00 H new ATOM 0 HE3 MET C 103 17.213 7.894 -12.134 1.00 0.00 H new ATOM 227 N PHE C 104 14.884 6.158 -16.745 1.00 0.00 N ATOM 228 CA PHE C 104 15.979 5.831 -17.741 1.00 0.00 C ATOM 229 C PHE C 104 15.622 6.227 -19.185 1.00 0.00 C ATOM 230 O PHE C 104 16.496 6.644 -19.938 1.00 0.00 O ATOM 231 CB PHE C 104 16.268 4.322 -17.617 1.00 0.00 C ATOM 232 CG PHE C 104 17.276 4.106 -16.504 1.00 0.00 C ATOM 233 CD1 PHE C 104 18.646 4.172 -16.778 1.00 0.00 C ATOM 234 CD2 PHE C 104 16.843 3.847 -15.203 1.00 0.00 C ATOM 235 CE1 PHE C 104 19.574 3.979 -15.750 1.00 0.00 C ATOM 236 CE2 PHE C 104 17.769 3.656 -14.177 1.00 0.00 C ATOM 237 CZ PHE C 104 19.135 3.719 -14.448 1.00 0.00 C ATOM 0 H PHE C 104 14.371 5.353 -16.386 1.00 0.00 H new ATOM 0 HA PHE C 104 16.868 6.418 -17.508 1.00 0.00 H new ATOM 0 HB2 PHE C 104 15.348 3.778 -17.403 1.00 0.00 H new ATOM 0 HB3 PHE C 104 16.657 3.934 -18.558 1.00 0.00 H new ATOM 0 HD1 PHE C 104 18.987 4.372 -17.783 1.00 0.00 H new ATOM 0 HD2 PHE C 104 15.786 3.794 -14.989 1.00 0.00 H new ATOM 0 HE1 PHE C 104 20.632 4.031 -15.962 1.00 0.00 H new ATOM 0 HE2 PHE C 104 17.427 3.459 -13.172 1.00 0.00 H new ATOM 0 HZ PHE C 104 19.852 3.567 -13.655 1.00 0.00 H new ATOM 247 N ASP C 105 14.380 6.075 -19.604 1.00 0.00 N ATOM 248 CA ASP C 105 14.048 6.431 -21.036 1.00 0.00 C ATOM 249 C ASP C 105 13.920 7.954 -21.172 1.00 0.00 C ATOM 250 O ASP C 105 12.884 8.537 -20.867 1.00 0.00 O ATOM 251 CB ASP C 105 12.695 5.746 -21.344 1.00 0.00 C ATOM 252 CG ASP C 105 12.313 5.989 -22.794 1.00 0.00 C ATOM 253 OD1 ASP C 105 13.140 5.799 -23.648 1.00 0.00 O1- ATOM 254 OD2 ASP C 105 11.195 6.356 -23.034 1.00 0.00 O ATOM 0 H ASP C 105 13.603 5.732 -19.040 1.00 0.00 H new ATOM 0 HA ASP C 105 14.823 6.101 -21.728 1.00 0.00 H new ATOM 0 HB2 ASP C 105 12.767 4.675 -21.152 1.00 0.00 H new ATOM 0 HB3 ASP C 105 11.921 6.137 -20.684 1.00 0.00 H new ATOM 259 N LYS C 106 14.959 8.600 -21.625 1.00 0.00 N ATOM 260 CA LYS C 106 14.924 10.111 -21.786 1.00 0.00 C ATOM 261 C LYS C 106 14.173 10.541 -23.069 1.00 0.00 C ATOM 262 O LYS C 106 13.760 11.686 -23.182 1.00 0.00 O ATOM 263 CB LYS C 106 16.401 10.575 -21.843 1.00 0.00 C ATOM 264 CG LYS C 106 17.090 10.000 -23.097 1.00 0.00 C ATOM 265 CD LYS C 106 18.580 10.359 -23.109 1.00 0.00 C ATOM 266 CE LYS C 106 19.235 9.925 -24.458 1.00 0.00 C ATOM 267 NZ LYS C 106 18.587 10.725 -25.529 1.00 0.00 N1+ ATOM 0 H LYS C 106 15.839 8.160 -21.895 1.00 0.00 H new ATOM 0 HA LYS C 106 14.387 10.567 -20.955 1.00 0.00 H new ATOM 0 HB2 LYS C 106 16.448 11.664 -21.860 1.00 0.00 H new ATOM 0 HB3 LYS C 106 16.928 10.247 -20.947 1.00 0.00 H new ATOM 0 HG2 LYS C 106 16.972 8.917 -23.119 1.00 0.00 H new ATOM 0 HG3 LYS C 106 16.609 10.391 -23.994 1.00 0.00 H new ATOM 0 HD2 LYS C 106 18.703 11.433 -22.967 1.00 0.00 H new ATOM 0 HD3 LYS C 106 19.085 9.868 -22.278 1.00 0.00 H new ATOM 0 HE2 LYS C 106 20.310 10.103 -24.440 1.00 0.00 H new ATOM 0 HE3 LYS C 106 19.091 8.859 -24.632 1.00 0.00 H new ATOM 0 HZ1 LYS C 106 19.195 10.732 -26.373 1.00 0.00 H new ATOM 0 HZ2 LYS C 106 17.667 10.304 -25.768 1.00 0.00 H new ATOM 0 HZ3 LYS C 106 18.445 11.700 -25.196 1.00 0.00 H new ATOM 281 N ASN C 107 14.086 9.688 -24.076 1.00 0.00 N ATOM 282 CA ASN C 107 13.415 10.123 -25.371 1.00 0.00 C ATOM 283 C ASN C 107 11.906 9.836 -25.365 1.00 0.00 C ATOM 284 O ASN C 107 11.252 10.005 -26.382 1.00 0.00 O ATOM 285 CB ASN C 107 14.107 9.343 -26.501 1.00 0.00 C ATOM 286 CG ASN C 107 15.306 10.130 -27.003 1.00 0.00 C ATOM 287 OD1 ASN C 107 16.385 10.043 -26.440 1.00 0.00 O ATOM 288 ND2 ASN C 107 15.182 10.915 -28.029 1.00 0.00 N ATOM 0 H ASN C 107 14.439 8.731 -24.066 1.00 0.00 H new ATOM 0 HA ASN C 107 13.516 11.200 -25.503 1.00 0.00 H new ATOM 0 HB2 ASN C 107 14.426 8.366 -26.139 1.00 0.00 H new ATOM 0 HB3 ASN C 107 13.407 9.168 -27.318 1.00 0.00 H new ATOM 0 HD21 ASN C 107 15.983 11.453 -28.359 1.00 0.00 H new ATOM 0 HD22 ASN C 107 14.284 10.994 -28.505 1.00 0.00 H new ATOM 295 N ALA C 108 11.340 9.385 -24.243 1.00 0.00 N ATOM 296 CA ALA C 108 9.859 9.061 -24.170 1.00 0.00 C ATOM 297 C ALA C 108 9.469 8.047 -25.267 1.00 0.00 C ATOM 298 O ALA C 108 8.342 8.039 -25.743 1.00 0.00 O ATOM 299 CB ALA C 108 9.115 10.395 -24.374 1.00 0.00 C ATOM 0 H ALA C 108 11.848 9.228 -23.373 1.00 0.00 H new ATOM 0 HA ALA C 108 9.601 8.607 -23.213 1.00 0.00 H new ATOM 0 HB1 ALA C 108 8.040 10.222 -24.331 1.00 0.00 H new ATOM 0 HB2 ALA C 108 9.402 11.095 -23.589 1.00 0.00 H new ATOM 0 HB3 ALA C 108 9.377 10.813 -25.346 1.00 0.00 H new ATOM 305 N ASP C 109 10.382 7.178 -25.649 1.00 0.00 N ATOM 306 CA ASP C 109 10.061 6.113 -26.677 1.00 0.00 C ATOM 307 C ASP C 109 9.609 4.807 -25.986 1.00 0.00 C ATOM 308 O ASP C 109 9.103 3.907 -26.635 1.00 0.00 O ATOM 309 CB ASP C 109 11.366 5.878 -27.493 1.00 0.00 C ATOM 310 CG ASP C 109 12.537 5.565 -26.580 1.00 0.00 C ATOM 311 OD1 ASP C 109 12.665 4.493 -26.129 1.00 0.00 O1- ATOM 312 OD2 ASP C 109 13.291 6.421 -26.301 1.00 0.00 O ATOM 0 H ASP C 109 11.339 7.156 -25.296 1.00 0.00 H new ATOM 0 HA ASP C 109 9.244 6.429 -27.326 1.00 0.00 H new ATOM 0 HB2 ASP C 109 11.217 5.055 -28.192 1.00 0.00 H new ATOM 0 HB3 ASP C 109 11.591 6.764 -28.086 1.00 0.00 H new ATOM 317 N GLY C 110 9.759 4.705 -24.677 1.00 0.00 N ATOM 318 CA GLY C 110 9.312 3.481 -23.942 1.00 0.00 C ATOM 319 C GLY C 110 10.452 2.463 -23.804 1.00 0.00 C ATOM 320 O GLY C 110 10.255 1.417 -23.235 1.00 0.00 O ATOM 0 H GLY C 110 10.176 5.427 -24.089 1.00 0.00 H new ATOM 0 HA2 GLY C 110 8.950 3.761 -22.953 1.00 0.00 H new ATOM 0 HA3 GLY C 110 8.475 3.023 -24.470 1.00 0.00 H new ATOM 324 N TYR C 111 11.621 2.727 -24.352 1.00 0.00 N ATOM 325 CA TYR C 111 12.757 1.735 -24.263 1.00 0.00 C ATOM 326 C TYR C 111 14.024 2.457 -23.815 1.00 0.00 C ATOM 327 O TYR C 111 14.283 3.593 -24.248 1.00 0.00 O ATOM 328 CB TYR C 111 12.954 1.213 -25.700 1.00 0.00 C ATOM 329 CG TYR C 111 11.656 0.649 -26.229 1.00 0.00 C ATOM 330 CD1 TYR C 111 11.277 -0.655 -25.909 1.00 0.00 C ATOM 331 CD2 TYR C 111 10.826 1.443 -27.029 1.00 0.00 C ATOM 332 CE1 TYR C 111 10.074 -1.167 -26.390 1.00 0.00 C ATOM 333 CE2 TYR C 111 9.619 0.929 -27.510 1.00 0.00 C ATOM 334 CZ TYR C 111 9.242 -0.378 -27.189 1.00 0.00 C ATOM 335 OH TYR C 111 8.051 -0.887 -27.670 1.00 0.00 O ATOM 0 H TYR C 111 11.840 3.585 -24.857 1.00 0.00 H new ATOM 0 HA TYR C 111 12.548 0.933 -23.556 1.00 0.00 H new ATOM 0 HB2 TYR C 111 13.298 2.021 -26.345 1.00 0.00 H new ATOM 0 HB3 TYR C 111 13.726 0.444 -25.713 1.00 0.00 H new ATOM 0 HD1 TYR C 111 11.916 -1.267 -25.289 1.00 0.00 H new ATOM 0 HD2 TYR C 111 11.119 2.453 -27.275 1.00 0.00 H new ATOM 0 HE1 TYR C 111 9.783 -2.178 -26.144 1.00 0.00 H new ATOM 0 HE2 TYR C 111 8.979 1.540 -28.129 1.00 0.00 H new ATOM 0 HH TYR C 111 7.597 -0.205 -28.207 1.00 0.00 H new ATOM 345 N ILE C 112 14.882 1.796 -23.077 1.00 0.00 N ATOM 346 CA ILE C 112 16.188 2.432 -22.736 1.00 0.00 C ATOM 347 C ILE C 112 17.120 2.190 -23.929 1.00 0.00 C ATOM 348 O ILE C 112 17.359 1.056 -24.335 1.00 0.00 O ATOM 349 CB ILE C 112 16.674 1.742 -21.436 1.00 0.00 C ATOM 350 CG1 ILE C 112 15.822 2.231 -20.262 1.00 0.00 C ATOM 351 CG2 ILE C 112 18.141 2.079 -21.150 1.00 0.00 C ATOM 352 CD1 ILE C 112 14.737 1.223 -19.956 1.00 0.00 C ATOM 0 H ILE C 112 14.737 0.859 -22.702 1.00 0.00 H new ATOM 0 HA ILE C 112 16.140 3.507 -22.561 1.00 0.00 H new ATOM 0 HB ILE C 112 16.578 0.664 -21.562 1.00 0.00 H new ATOM 0 HG12 ILE C 112 16.450 2.380 -19.383 1.00 0.00 H new ATOM 0 HG13 ILE C 112 15.376 3.196 -20.503 1.00 0.00 H new ATOM 0 HG21 ILE C 112 18.456 1.582 -20.233 1.00 0.00 H new ATOM 0 HG22 ILE C 112 18.761 1.738 -21.979 1.00 0.00 H new ATOM 0 HG23 ILE C 112 18.251 3.157 -21.035 1.00 0.00 H new ATOM 0 HD11 ILE C 112 14.135 1.579 -19.119 1.00 0.00 H new ATOM 0 HD12 ILE C 112 14.101 1.096 -20.832 1.00 0.00 H new ATOM 0 HD13 ILE C 112 15.191 0.267 -19.696 1.00 0.00 H new ATOM 364 N ASP C 113 17.536 3.237 -24.554 1.00 0.00 N ATOM 365 CA ASP C 113 18.331 3.124 -25.819 1.00 0.00 C ATOM 366 C ASP C 113 19.794 3.339 -25.541 1.00 0.00 C ATOM 367 O ASP C 113 20.174 3.952 -24.548 1.00 0.00 O ATOM 368 CB ASP C 113 17.809 4.247 -26.736 1.00 0.00 C ATOM 369 CG ASP C 113 16.319 4.054 -26.987 1.00 0.00 C ATOM 370 OD1 ASP C 113 15.985 3.267 -27.816 1.00 0.00 O1- ATOM 371 OD2 ASP C 113 15.532 4.711 -26.316 1.00 0.00 O ATOM 0 H ASP C 113 17.362 4.194 -24.246 1.00 0.00 H new ATOM 0 HA ASP C 113 18.224 2.138 -26.271 1.00 0.00 H new ATOM 0 HB2 ASP C 113 17.987 5.218 -26.275 1.00 0.00 H new ATOM 0 HB3 ASP C 113 18.351 4.239 -27.682 1.00 0.00 H new ATOM 376 N LEU C 114 20.635 2.884 -26.437 1.00 0.00 N ATOM 377 CA LEU C 114 22.111 3.091 -26.271 1.00 0.00 C ATOM 378 C LEU C 114 22.399 4.590 -26.070 1.00 0.00 C ATOM 379 O LEU C 114 23.177 4.960 -25.209 1.00 0.00 O ATOM 380 CB LEU C 114 22.729 2.614 -27.598 1.00 0.00 C ATOM 381 CG LEU C 114 24.263 2.738 -27.538 1.00 0.00 C ATOM 382 CD1 LEU C 114 24.845 1.716 -26.558 1.00 0.00 C ATOM 383 CD2 LEU C 114 24.853 2.496 -28.930 1.00 0.00 C ATOM 0 H LEU C 114 20.364 2.376 -27.279 1.00 0.00 H new ATOM 0 HA LEU C 114 22.515 2.555 -25.412 1.00 0.00 H new ATOM 0 HB2 LEU C 114 22.447 1.579 -27.789 1.00 0.00 H new ATOM 0 HB3 LEU C 114 22.340 3.208 -28.425 1.00 0.00 H new ATOM 0 HG LEU C 114 24.518 3.741 -27.197 1.00 0.00 H new ATOM 0 HD11 LEU C 114 25.930 1.818 -26.528 1.00 0.00 H new ATOM 0 HD12 LEU C 114 24.436 1.892 -25.563 1.00 0.00 H new ATOM 0 HD13 LEU C 114 24.584 0.709 -26.884 1.00 0.00 H new ATOM 0 HD21 LEU C 114 25.939 2.584 -28.885 1.00 0.00 H new ATOM 0 HD22 LEU C 114 24.584 1.496 -29.270 1.00 0.00 H new ATOM 0 HD23 LEU C 114 24.457 3.235 -29.626 1.00 0.00 H new ATOM 395 N ASP C 115 21.744 5.456 -26.830 1.00 0.00 N ATOM 396 CA ASP C 115 21.957 6.939 -26.642 1.00 0.00 C ATOM 397 C ASP C 115 21.559 7.358 -25.222 1.00 0.00 C ATOM 398 O ASP C 115 22.220 8.173 -24.596 1.00 0.00 O ATOM 399 CB ASP C 115 21.063 7.642 -27.677 1.00 0.00 C ATOM 400 CG ASP C 115 21.308 9.137 -27.617 1.00 0.00 C ATOM 401 OD1 ASP C 115 22.389 9.556 -27.976 1.00 0.00 O ATOM 402 OD2 ASP C 115 20.418 9.850 -27.229 1.00 0.00 O1- ATOM 0 H ASP C 115 21.080 5.202 -27.562 1.00 0.00 H new ATOM 0 HA ASP C 115 23.004 7.207 -26.779 1.00 0.00 H new ATOM 0 HB2 ASP C 115 21.280 7.266 -28.677 1.00 0.00 H new ATOM 0 HB3 ASP C 115 20.014 7.425 -27.475 1.00 0.00 H new ATOM 407 N GLU C 116 20.499 6.787 -24.703 1.00 0.00 N ATOM 408 CA GLU C 116 20.066 7.112 -23.306 1.00 0.00 C ATOM 409 C GLU C 116 21.135 6.585 -22.321 1.00 0.00 C ATOM 410 O GLU C 116 21.548 7.298 -21.413 1.00 0.00 O ATOM 411 CB GLU C 116 18.694 6.400 -23.151 1.00 0.00 C ATOM 412 CG GLU C 116 17.716 6.935 -24.258 1.00 0.00 C ATOM 413 CD GLU C 116 16.303 6.390 -24.103 1.00 0.00 C ATOM 414 OE1 GLU C 116 16.121 5.413 -23.497 1.00 0.00 O ATOM 415 OE2 GLU C 116 15.413 6.955 -24.638 1.00 0.00 O1- ATOM 0 H GLU C 116 19.913 6.108 -25.188 1.00 0.00 H new ATOM 0 HA GLU C 116 19.964 8.178 -23.101 1.00 0.00 H new ATOM 0 HB2 GLU C 116 18.816 5.321 -23.245 1.00 0.00 H new ATOM 0 HB3 GLU C 116 18.281 6.589 -22.160 1.00 0.00 H new ATOM 0 HG2 GLU C 116 17.688 8.024 -24.218 1.00 0.00 H new ATOM 0 HG3 GLU C 116 18.101 6.662 -25.241 1.00 0.00 H new ATOM 422 N LEU C 117 21.679 5.401 -22.573 1.00 0.00 N ATOM 423 CA LEU C 117 22.826 4.898 -21.720 1.00 0.00 C ATOM 424 C LEU C 117 24.054 5.811 -21.940 1.00 0.00 C ATOM 425 O LEU C 117 24.773 6.144 -21.010 1.00 0.00 O ATOM 426 CB LEU C 117 23.140 3.470 -22.229 1.00 0.00 C ATOM 427 CG LEU C 117 21.907 2.548 -22.088 1.00 0.00 C ATOM 428 CD1 LEU C 117 22.254 1.150 -22.589 1.00 0.00 C ATOM 429 CD2 LEU C 117 21.494 2.449 -20.618 1.00 0.00 C ATOM 0 H LEU C 117 21.384 4.772 -23.319 1.00 0.00 H new ATOM 0 HA LEU C 117 22.579 4.898 -20.658 1.00 0.00 H new ATOM 0 HB2 LEU C 117 23.449 3.512 -23.273 1.00 0.00 H new ATOM 0 HB3 LEU C 117 23.975 3.055 -21.665 1.00 0.00 H new ATOM 0 HG LEU C 117 21.088 2.965 -22.674 1.00 0.00 H new ATOM 0 HD11 LEU C 117 21.384 0.501 -22.489 1.00 0.00 H new ATOM 0 HD12 LEU C 117 22.549 1.202 -23.637 1.00 0.00 H new ATOM 0 HD13 LEU C 117 23.077 0.746 -22.000 1.00 0.00 H new ATOM 0 HD21 LEU C 117 20.625 1.798 -20.527 1.00 0.00 H new ATOM 0 HD22 LEU C 117 22.318 2.037 -20.035 1.00 0.00 H new ATOM 0 HD23 LEU C 117 21.245 3.441 -20.243 1.00 0.00 H new ATOM 441 N LYS C 118 24.291 6.206 -23.179 1.00 0.00 N ATOM 442 CA LYS C 118 25.476 7.072 -23.523 1.00 0.00 C ATOM 443 C LYS C 118 25.450 8.375 -22.723 1.00 0.00 C ATOM 444 O LYS C 118 26.464 8.775 -22.168 1.00 0.00 O ATOM 445 CB LYS C 118 25.285 7.375 -25.031 1.00 0.00 C ATOM 446 CG LYS C 118 26.286 8.439 -25.526 1.00 0.00 C ATOM 447 CD LYS C 118 25.508 9.617 -26.164 1.00 0.00 C ATOM 448 CE LYS C 118 25.757 9.660 -27.686 1.00 0.00 C ATOM 449 NZ LYS C 118 24.799 8.678 -28.268 1.00 0.00 N1+ ATOM 0 H LYS C 118 23.704 5.960 -23.976 1.00 0.00 H new ATOM 0 HA LYS C 118 26.425 6.587 -23.296 1.00 0.00 H new ATOM 0 HB2 LYS C 118 25.413 6.458 -25.606 1.00 0.00 H new ATOM 0 HB3 LYS C 118 24.267 7.722 -25.207 1.00 0.00 H new ATOM 0 HG2 LYS C 118 26.894 8.797 -24.695 1.00 0.00 H new ATOM 0 HG3 LYS C 118 26.968 8.002 -26.255 1.00 0.00 H new ATOM 0 HD2 LYS C 118 24.442 9.508 -25.966 1.00 0.00 H new ATOM 0 HD3 LYS C 118 25.822 10.557 -25.710 1.00 0.00 H new ATOM 0 HE2 LYS C 118 25.586 10.660 -28.085 1.00 0.00 H new ATOM 0 HE3 LYS C 118 26.787 9.394 -27.924 1.00 0.00 H new ATOM 0 HZ1 LYS C 118 24.888 8.678 -29.304 1.00 0.00 H new ATOM 0 HZ2 LYS C 118 25.011 7.728 -27.903 1.00 0.00 H new ATOM 0 HZ3 LYS C 118 23.828 8.942 -28.004 1.00 0.00 H new ATOM 463 N ILE C 119 24.317 9.045 -22.654 1.00 0.00 N ATOM 464 CA ILE C 119 24.281 10.333 -21.887 1.00 0.00 C ATOM 465 C ILE C 119 24.668 10.087 -20.425 1.00 0.00 C ATOM 466 O ILE C 119 25.439 10.857 -19.851 1.00 0.00 O ATOM 467 CB ILE C 119 22.858 10.922 -22.040 1.00 0.00 C ATOM 468 CG1 ILE C 119 22.605 11.249 -23.527 1.00 0.00 C ATOM 469 CG2 ILE C 119 22.712 12.210 -21.208 1.00 0.00 C ATOM 470 CD1 ILE C 119 21.328 12.072 -23.674 1.00 0.00 C ATOM 0 H ILE C 119 23.437 8.762 -23.085 1.00 0.00 H new ATOM 0 HA ILE C 119 25.004 11.051 -22.274 1.00 0.00 H new ATOM 0 HB ILE C 119 22.133 10.190 -21.684 1.00 0.00 H new ATOM 0 HG12 ILE C 119 23.452 11.801 -23.935 1.00 0.00 H new ATOM 0 HG13 ILE C 119 22.520 10.326 -24.101 1.00 0.00 H new ATOM 0 HG21 ILE C 119 21.705 12.609 -21.329 1.00 0.00 H new ATOM 0 HG22 ILE C 119 22.890 11.986 -20.156 1.00 0.00 H new ATOM 0 HG23 ILE C 119 23.438 12.948 -21.549 1.00 0.00 H new ATOM 0 HD11 ILE C 119 21.159 12.297 -24.727 1.00 0.00 H new ATOM 0 HD12 ILE C 119 20.483 11.505 -23.284 1.00 0.00 H new ATOM 0 HD13 ILE C 119 21.429 13.003 -23.116 1.00 0.00 H new ATOM 482 N MET C 120 24.230 8.983 -19.831 1.00 0.00 N ATOM 483 CA MET C 120 24.690 8.709 -18.432 1.00 0.00 C ATOM 484 C MET C 120 26.203 8.578 -18.404 1.00 0.00 C ATOM 485 O MET C 120 26.857 9.202 -17.589 1.00 0.00 O ATOM 486 CB MET C 120 24.102 7.363 -18.014 1.00 0.00 C ATOM 487 CG MET C 120 22.619 7.461 -17.700 1.00 0.00 C ATOM 488 SD MET C 120 22.129 5.896 -16.939 1.00 0.00 S ATOM 489 CE MET C 120 23.262 5.977 -15.509 1.00 0.00 C ATOM 0 H MET C 120 23.601 8.293 -20.241 1.00 0.00 H new ATOM 0 HA MET C 120 24.377 9.517 -17.771 1.00 0.00 H new ATOM 0 HB2 MET C 120 24.256 6.637 -18.812 1.00 0.00 H new ATOM 0 HB3 MET C 120 24.634 6.992 -17.138 1.00 0.00 H new ATOM 0 HG2 MET C 120 22.423 8.295 -17.026 1.00 0.00 H new ATOM 0 HG3 MET C 120 22.045 7.644 -18.608 1.00 0.00 H new ATOM 0 HE1 MET C 120 22.754 5.601 -14.621 1.00 0.00 H new ATOM 0 HE2 MET C 120 24.144 5.368 -15.708 1.00 0.00 H new ATOM 0 HE3 MET C 120 23.565 7.011 -15.343 1.00 0.00 H new ATOM 499 N LEU C 121 26.773 7.799 -19.286 1.00 0.00 N ATOM 500 CA LEU C 121 28.268 7.622 -19.271 1.00 0.00 C ATOM 501 C LEU C 121 28.961 8.975 -19.471 1.00 0.00 C ATOM 502 O LEU C 121 29.946 9.291 -18.802 1.00 0.00 O ATOM 503 CB LEU C 121 28.597 6.665 -20.444 1.00 0.00 C ATOM 504 CG LEU C 121 28.501 5.181 -19.994 1.00 0.00 C ATOM 505 CD1 LEU C 121 27.203 4.907 -19.232 1.00 0.00 C ATOM 506 CD2 LEU C 121 28.564 4.260 -21.215 1.00 0.00 C ATOM 0 H LEU C 121 26.280 7.280 -20.012 1.00 0.00 H new ATOM 0 HA LEU C 121 28.616 7.217 -18.321 1.00 0.00 H new ATOM 0 HB2 LEU C 121 27.907 6.844 -21.269 1.00 0.00 H new ATOM 0 HB3 LEU C 121 29.600 6.872 -20.817 1.00 0.00 H new ATOM 0 HG LEU C 121 29.342 4.984 -19.329 1.00 0.00 H new ATOM 0 HD11 LEU C 121 27.171 3.859 -18.933 1.00 0.00 H new ATOM 0 HD12 LEU C 121 27.162 5.539 -18.345 1.00 0.00 H new ATOM 0 HD13 LEU C 121 26.350 5.127 -19.874 1.00 0.00 H new ATOM 0 HD21 LEU C 121 28.496 3.221 -20.891 1.00 0.00 H new ATOM 0 HD22 LEU C 121 27.734 4.486 -21.885 1.00 0.00 H new ATOM 0 HD23 LEU C 121 29.507 4.416 -21.740 1.00 0.00 H new ATOM 518 N GLN C 122 28.451 9.789 -20.371 1.00 0.00 N ATOM 519 CA GLN C 122 29.063 11.146 -20.608 1.00 0.00 C ATOM 520 C GLN C 122 28.907 12.048 -19.368 1.00 0.00 C ATOM 521 O GLN C 122 29.835 12.730 -18.991 1.00 0.00 O ATOM 522 CB GLN C 122 28.309 11.737 -21.813 1.00 0.00 C ATOM 523 CG GLN C 122 28.594 10.888 -23.079 1.00 0.00 C ATOM 524 CD GLN C 122 27.824 11.462 -24.272 1.00 0.00 C ATOM 525 OE1 GLN C 122 26.742 11.983 -24.125 1.00 0.00 O ATOM 526 NE2 GLN C 122 28.337 11.386 -25.463 1.00 0.00 N ATOM 0 H GLN C 122 27.640 9.575 -20.951 1.00 0.00 H new ATOM 0 HA GLN C 122 30.133 11.072 -20.800 1.00 0.00 H new ATOM 0 HB2 GLN C 122 27.238 11.756 -21.610 1.00 0.00 H new ATOM 0 HB3 GLN C 122 28.620 12.769 -21.978 1.00 0.00 H new ATOM 0 HG2 GLN C 122 29.663 10.884 -23.292 1.00 0.00 H new ATOM 0 HG3 GLN C 122 28.299 9.853 -22.908 1.00 0.00 H new ATOM 0 HE21 GLN C 122 29.249 10.949 -25.599 1.00 0.00 H new ATOM 0 HE22 GLN C 122 27.828 11.763 -26.262 1.00 0.00 H new ATOM 535 N ALA C 123 27.763 12.008 -18.694 1.00 0.00 N ATOM 536 CA ALA C 123 27.598 12.846 -17.434 1.00 0.00 C ATOM 537 C ALA C 123 28.507 12.277 -16.350 1.00 0.00 C ATOM 538 O ALA C 123 29.182 12.996 -15.641 1.00 0.00 O ATOM 539 CB ALA C 123 26.122 12.700 -17.023 1.00 0.00 C ATOM 0 H ALA C 123 26.952 11.445 -18.953 1.00 0.00 H new ATOM 0 HA ALA C 123 27.860 13.893 -17.588 1.00 0.00 H new ATOM 0 HB1 ALA C 123 25.937 13.281 -16.120 1.00 0.00 H new ATOM 0 HB2 ALA C 123 25.483 13.065 -17.827 1.00 0.00 H new ATOM 0 HB3 ALA C 123 25.900 11.650 -16.831 1.00 0.00 H new ATOM 545 N THR C 124 28.554 10.979 -16.271 1.00 0.00 N ATOM 546 CA THR C 124 29.441 10.262 -15.306 1.00 0.00 C ATOM 547 C THR C 124 30.923 10.636 -15.570 1.00 0.00 C ATOM 548 O THR C 124 31.728 10.666 -14.658 1.00 0.00 O ATOM 549 CB THR C 124 29.163 8.761 -15.623 1.00 0.00 C ATOM 550 OG1 THR C 124 27.774 8.487 -15.469 1.00 0.00 O ATOM 551 CG2 THR C 124 29.913 7.847 -14.692 1.00 0.00 C ATOM 0 H THR C 124 27.994 10.360 -16.857 1.00 0.00 H new ATOM 0 HA THR C 124 29.253 10.510 -14.261 1.00 0.00 H new ATOM 0 HB THR C 124 29.492 8.582 -16.647 1.00 0.00 H new ATOM 0 HG1 THR C 124 27.360 8.389 -16.352 1.00 0.00 H new ATOM 0 HG21 THR C 124 29.693 6.810 -14.945 1.00 0.00 H new ATOM 0 HG22 THR C 124 30.984 8.026 -14.791 1.00 0.00 H new ATOM 0 HG23 THR C 124 29.606 8.043 -13.665 1.00 0.00 H new ATOM 559 N GLY C 125 31.302 10.854 -16.812 1.00 0.00 N ATOM 560 CA GLY C 125 32.752 11.097 -17.123 1.00 0.00 C ATOM 561 C GLY C 125 33.430 9.722 -17.114 1.00 0.00 C ATOM 562 O GLY C 125 34.559 9.573 -16.698 1.00 0.00 O ATOM 0 H GLY C 125 30.676 10.874 -17.617 1.00 0.00 H new ATOM 0 HA2 GLY C 125 32.866 11.580 -18.093 1.00 0.00 H new ATOM 0 HA3 GLY C 125 33.203 11.758 -16.383 1.00 0.00 H new ATOM 566 N GLU C 126 32.699 8.708 -17.533 1.00 0.00 N ATOM 567 CA GLU C 126 33.203 7.309 -17.514 1.00 0.00 C ATOM 568 C GLU C 126 33.904 7.058 -18.858 1.00 0.00 C ATOM 569 O GLU C 126 33.397 7.443 -19.916 1.00 0.00 O ATOM 570 CB GLU C 126 31.881 6.515 -17.364 1.00 0.00 C ATOM 571 CG GLU C 126 32.094 5.018 -17.131 1.00 0.00 C ATOM 572 CD GLU C 126 30.726 4.315 -16.946 1.00 0.00 C ATOM 573 OE1 GLU C 126 29.694 5.001 -16.891 1.00 0.00 O ATOM 574 OE2 GLU C 126 30.724 3.125 -16.823 1.00 0.00 O1- ATOM 0 H GLU C 126 31.750 8.806 -17.895 1.00 0.00 H new ATOM 0 HA GLU C 126 33.924 7.049 -16.739 1.00 0.00 H new ATOM 0 HB2 GLU C 126 31.311 6.927 -16.531 1.00 0.00 H new ATOM 0 HB3 GLU C 126 31.279 6.653 -18.262 1.00 0.00 H new ATOM 0 HG2 GLU C 126 32.626 4.581 -17.976 1.00 0.00 H new ATOM 0 HG3 GLU C 126 32.715 4.863 -16.249 1.00 0.00 H new ATOM 581 N THR C 127 35.095 6.522 -18.833 1.00 0.00 N ATOM 582 CA THR C 127 35.868 6.335 -20.103 1.00 0.00 C ATOM 583 C THR C 127 35.279 5.160 -20.902 1.00 0.00 C ATOM 584 O THR C 127 35.189 4.036 -20.408 1.00 0.00 O ATOM 585 CB THR C 127 37.333 6.038 -19.666 1.00 0.00 C ATOM 586 OG1 THR C 127 37.361 5.476 -18.341 1.00 0.00 O ATOM 587 CG2 THR C 127 38.156 7.334 -19.677 1.00 0.00 C ATOM 0 H THR C 127 35.570 6.204 -17.988 1.00 0.00 H new ATOM 0 HA THR C 127 35.824 7.213 -20.747 1.00 0.00 H new ATOM 0 HB THR C 127 37.761 5.323 -20.368 1.00 0.00 H new ATOM 0 HG1 THR C 127 38.289 5.294 -18.083 1.00 0.00 H new ATOM 0 HG21 THR C 127 39.179 7.118 -19.370 1.00 0.00 H new ATOM 0 HG22 THR C 127 38.160 7.754 -20.683 1.00 0.00 H new ATOM 0 HG23 THR C 127 37.714 8.052 -18.986 1.00 0.00 H new ATOM 595 N ILE C 128 34.921 5.409 -22.126 1.00 0.00 N ATOM 596 CA ILE C 128 34.381 4.347 -23.015 1.00 0.00 C ATOM 597 C ILE C 128 35.090 4.427 -24.383 1.00 0.00 C ATOM 598 O ILE C 128 35.589 5.488 -24.760 1.00 0.00 O ATOM 599 CB ILE C 128 32.870 4.658 -23.127 1.00 0.00 C ATOM 600 CG1 ILE C 128 32.635 6.012 -23.818 1.00 0.00 C ATOM 601 CG2 ILE C 128 32.220 4.667 -21.728 1.00 0.00 C ATOM 602 CD1 ILE C 128 31.140 6.233 -23.986 1.00 0.00 C ATOM 0 H ILE C 128 34.982 6.330 -22.560 1.00 0.00 H new ATOM 0 HA ILE C 128 34.542 3.337 -22.638 1.00 0.00 H new ATOM 0 HB ILE C 128 32.410 3.876 -23.732 1.00 0.00 H new ATOM 0 HG12 ILE C 128 33.070 6.817 -23.225 1.00 0.00 H new ATOM 0 HG13 ILE C 128 33.129 6.029 -24.789 1.00 0.00 H new ATOM 0 HG21 ILE C 128 31.157 4.887 -21.822 1.00 0.00 H new ATOM 0 HG22 ILE C 128 32.348 3.691 -21.261 1.00 0.00 H new ATOM 0 HG23 ILE C 128 32.695 5.430 -21.111 1.00 0.00 H new ATOM 0 HD11 ILE C 128 30.967 7.191 -24.475 1.00 0.00 H new ATOM 0 HD12 ILE C 128 30.720 5.433 -24.596 1.00 0.00 H new ATOM 0 HD13 ILE C 128 30.660 6.233 -23.007 1.00 0.00 H new ATOM 614 N THR C 129 35.100 3.371 -25.138 1.00 0.00 N ATOM 615 CA THR C 129 35.719 3.406 -26.500 1.00 0.00 C ATOM 616 C THR C 129 34.593 3.200 -27.544 1.00 0.00 C ATOM 617 O THR C 129 34.033 4.165 -28.050 1.00 0.00 O ATOM 618 CB THR C 129 36.798 2.251 -26.544 1.00 0.00 C ATOM 619 OG1 THR C 129 36.826 1.516 -25.315 1.00 0.00 O ATOM 620 CG2 THR C 129 38.199 2.840 -26.791 1.00 0.00 C ATOM 0 H THR C 129 34.702 2.470 -24.872 1.00 0.00 H new ATOM 0 HA THR C 129 36.209 4.354 -26.723 1.00 0.00 H new ATOM 0 HB THR C 129 36.521 1.579 -27.357 1.00 0.00 H new ATOM 0 HG1 THR C 129 36.219 0.749 -25.379 1.00 0.00 H new ATOM 0 HG21 THR C 129 38.933 2.034 -26.819 1.00 0.00 H new ATOM 0 HG22 THR C 129 38.208 3.372 -27.742 1.00 0.00 H new ATOM 0 HG23 THR C 129 38.450 3.531 -25.987 1.00 0.00 H new ATOM 628 N GLU C 130 34.183 1.961 -27.778 1.00 0.00 N ATOM 629 CA GLU C 130 33.051 1.671 -28.724 1.00 0.00 C ATOM 630 C GLU C 130 32.373 0.334 -28.328 1.00 0.00 C ATOM 631 O GLU C 130 31.268 0.321 -27.825 1.00 0.00 O ATOM 632 CB GLU C 130 33.714 1.523 -30.124 1.00 0.00 C ATOM 633 CG GLU C 130 34.395 2.820 -30.571 1.00 0.00 C ATOM 634 CD GLU C 130 35.000 2.593 -31.922 1.00 0.00 C ATOM 635 OE1 GLU C 130 36.065 2.029 -31.977 1.00 0.00 O1- ATOM 636 OE2 GLU C 130 34.396 2.977 -32.892 1.00 0.00 O ATOM 0 H GLU C 130 34.594 1.134 -27.345 1.00 0.00 H new ATOM 0 HA GLU C 130 32.292 2.453 -28.709 1.00 0.00 H new ATOM 0 HB2 GLU C 130 34.449 0.718 -30.095 1.00 0.00 H new ATOM 0 HB3 GLU C 130 32.958 1.238 -30.856 1.00 0.00 H new ATOM 0 HG2 GLU C 130 33.671 3.634 -30.611 1.00 0.00 H new ATOM 0 HG3 GLU C 130 35.164 3.111 -29.855 1.00 0.00 H new ATOM 643 N ASP C 131 33.040 -0.800 -28.581 1.00 0.00 N ATOM 644 CA ASP C 131 32.423 -2.164 -28.278 1.00 0.00 C ATOM 645 C ASP C 131 32.062 -2.302 -26.796 1.00 0.00 C ATOM 646 O ASP C 131 31.033 -2.847 -26.451 1.00 0.00 O ATOM 647 CB ASP C 131 33.473 -3.219 -28.658 1.00 0.00 C ATOM 648 CG ASP C 131 32.835 -4.613 -28.656 1.00 0.00 C ATOM 649 OD1 ASP C 131 31.661 -4.732 -28.948 1.00 0.00 O1- ATOM 650 OD2 ASP C 131 33.534 -5.542 -28.397 1.00 0.00 O ATOM 0 H ASP C 131 33.978 -0.837 -28.981 1.00 0.00 H new ATOM 0 HA ASP C 131 31.500 -2.290 -28.844 1.00 0.00 H new ATOM 0 HB2 ASP C 131 33.883 -2.998 -29.644 1.00 0.00 H new ATOM 0 HB3 ASP C 131 34.304 -3.189 -27.953 1.00 0.00 H new ATOM 655 N ASP C 132 32.872 -1.776 -25.932 1.00 0.00 N ATOM 656 CA ASP C 132 32.563 -1.801 -24.455 1.00 0.00 C ATOM 657 C ASP C 132 31.206 -1.110 -24.180 1.00 0.00 C ATOM 658 O ASP C 132 30.374 -1.643 -23.470 1.00 0.00 O ATOM 659 CB ASP C 132 33.730 -1.007 -23.785 1.00 0.00 C ATOM 660 CG ASP C 132 33.940 0.342 -24.461 1.00 0.00 C ATOM 661 OD1 ASP C 132 34.490 0.358 -25.559 1.00 0.00 O ATOM 662 OD2 ASP C 132 33.598 1.334 -23.893 1.00 0.00 O1- ATOM 0 H ASP C 132 33.751 -1.320 -26.175 1.00 0.00 H new ATOM 0 HA ASP C 132 32.485 -2.816 -24.066 1.00 0.00 H new ATOM 0 HB2 ASP C 132 33.511 -0.856 -22.728 1.00 0.00 H new ATOM 0 HB3 ASP C 132 34.649 -1.591 -23.840 1.00 0.00 H new ATOM 667 N ILE C 133 30.927 0.003 -24.828 1.00 0.00 N ATOM 668 CA ILE C 133 29.566 0.655 -24.672 1.00 0.00 C ATOM 669 C ILE C 133 28.497 -0.340 -25.193 1.00 0.00 C ATOM 670 O ILE C 133 27.492 -0.597 -24.525 1.00 0.00 O ATOM 671 CB ILE C 133 29.634 1.943 -25.542 1.00 0.00 C ATOM 672 CG1 ILE C 133 30.753 2.856 -25.015 1.00 0.00 C ATOM 673 CG2 ILE C 133 28.310 2.712 -25.473 1.00 0.00 C ATOM 674 CD1 ILE C 133 31.626 3.331 -26.167 1.00 0.00 C ATOM 0 H ILE C 133 31.571 0.488 -25.453 1.00 0.00 H new ATOM 0 HA ILE C 133 29.307 0.906 -23.643 1.00 0.00 H new ATOM 0 HB ILE C 133 29.830 1.651 -26.574 1.00 0.00 H new ATOM 0 HG12 ILE C 133 30.321 3.713 -24.499 1.00 0.00 H new ATOM 0 HG13 ILE C 133 31.360 2.318 -24.287 1.00 0.00 H new ATOM 0 HG21 ILE C 133 28.378 3.609 -26.088 1.00 0.00 H new ATOM 0 HG22 ILE C 133 27.502 2.080 -25.842 1.00 0.00 H new ATOM 0 HG23 ILE C 133 28.107 2.995 -24.440 1.00 0.00 H new ATOM 0 HD11 ILE C 133 32.415 3.977 -25.783 1.00 0.00 H new ATOM 0 HD12 ILE C 133 32.072 2.470 -26.665 1.00 0.00 H new ATOM 0 HD13 ILE C 133 31.017 3.887 -26.880 1.00 0.00 H new ATOM 686 N GLU C 134 28.766 -0.981 -26.325 1.00 0.00 N ATOM 687 CA GLU C 134 27.835 -2.048 -26.830 1.00 0.00 C ATOM 688 C GLU C 134 27.757 -3.184 -25.796 1.00 0.00 C ATOM 689 O GLU C 134 26.691 -3.699 -25.515 1.00 0.00 O ATOM 690 CB GLU C 134 28.502 -2.589 -28.109 1.00 0.00 C ATOM 691 CG GLU C 134 28.278 -1.643 -29.294 1.00 0.00 C ATOM 692 CD GLU C 134 26.934 -1.952 -29.933 1.00 0.00 C ATOM 693 OE1 GLU C 134 26.710 -3.118 -30.251 1.00 0.00 O1- ATOM 694 OE2 GLU C 134 26.163 -1.050 -30.100 1.00 0.00 O ATOM 0 H GLU C 134 29.584 -0.808 -26.910 1.00 0.00 H new ATOM 0 HA GLU C 134 26.830 -1.667 -27.009 1.00 0.00 H new ATOM 0 HB2 GLU C 134 29.571 -2.716 -27.939 1.00 0.00 H new ATOM 0 HB3 GLU C 134 28.098 -3.573 -28.345 1.00 0.00 H new ATOM 0 HG2 GLU C 134 28.304 -0.607 -28.957 1.00 0.00 H new ATOM 0 HG3 GLU C 134 29.078 -1.761 -30.025 1.00 0.00 H new ATOM 701 N GLU C 135 28.872 -3.551 -25.213 1.00 0.00 N ATOM 702 CA GLU C 135 28.890 -4.653 -24.203 1.00 0.00 C ATOM 703 C GLU C 135 27.940 -4.303 -23.043 1.00 0.00 C ATOM 704 O GLU C 135 27.141 -5.141 -22.626 1.00 0.00 O ATOM 705 CB GLU C 135 30.358 -4.699 -23.748 1.00 0.00 C ATOM 706 CG GLU C 135 30.616 -5.911 -22.868 1.00 0.00 C ATOM 707 CD GLU C 135 32.052 -5.895 -22.438 1.00 0.00 C ATOM 708 OE1 GLU C 135 32.904 -6.091 -23.280 1.00 0.00 O ATOM 709 OE2 GLU C 135 32.285 -5.716 -21.293 1.00 0.00 O1- ATOM 0 H GLU C 135 29.782 -3.128 -25.397 1.00 0.00 H new ATOM 0 HA GLU C 135 28.554 -5.616 -24.588 1.00 0.00 H new ATOM 0 HB2 GLU C 135 31.012 -4.732 -24.619 1.00 0.00 H new ATOM 0 HB3 GLU C 135 30.602 -3.789 -23.200 1.00 0.00 H new ATOM 0 HG2 GLU C 135 29.961 -5.892 -21.997 1.00 0.00 H new ATOM 0 HG3 GLU C 135 30.395 -6.828 -23.414 1.00 0.00 H new ATOM 716 N LEU C 136 27.929 -3.054 -22.594 1.00 0.00 N ATOM 717 CA LEU C 136 26.927 -2.658 -21.538 1.00 0.00 C ATOM 718 C LEU C 136 25.508 -2.851 -22.100 1.00 0.00 C ATOM 719 O LEU C 136 24.627 -3.339 -21.410 1.00 0.00 O ATOM 720 CB LEU C 136 27.184 -1.162 -21.202 1.00 0.00 C ATOM 721 CG LEU C 136 28.324 -0.975 -20.143 1.00 0.00 C ATOM 722 CD1 LEU C 136 28.418 -2.171 -19.183 1.00 0.00 C ATOM 723 CD2 LEU C 136 29.670 -0.796 -20.841 1.00 0.00 C ATOM 0 H LEU C 136 28.555 -2.312 -22.906 1.00 0.00 H new ATOM 0 HA LEU C 136 27.025 -3.266 -20.639 1.00 0.00 H new ATOM 0 HB2 LEU C 136 27.448 -0.628 -22.115 1.00 0.00 H new ATOM 0 HB3 LEU C 136 26.265 -0.714 -20.825 1.00 0.00 H new ATOM 0 HG LEU C 136 28.078 -0.085 -19.564 1.00 0.00 H new ATOM 0 HD11 LEU C 136 29.221 -2.000 -18.466 1.00 0.00 H new ATOM 0 HD12 LEU C 136 27.474 -2.285 -18.650 1.00 0.00 H new ATOM 0 HD13 LEU C 136 28.626 -3.078 -19.751 1.00 0.00 H new ATOM 0 HD21 LEU C 136 30.453 -0.667 -20.094 1.00 0.00 H new ATOM 0 HD22 LEU C 136 29.887 -1.677 -21.445 1.00 0.00 H new ATOM 0 HD23 LEU C 136 29.633 0.084 -21.483 1.00 0.00 H new ATOM 735 N MET C 137 25.285 -2.518 -23.370 1.00 0.00 N ATOM 736 CA MET C 137 23.926 -2.764 -23.970 1.00 0.00 C ATOM 737 C MET C 137 23.623 -4.269 -23.963 1.00 0.00 C ATOM 738 O MET C 137 22.516 -4.665 -23.701 1.00 0.00 O ATOM 739 CB MET C 137 23.979 -2.277 -25.437 1.00 0.00 C ATOM 740 CG MET C 137 22.596 -2.511 -26.095 1.00 0.00 C ATOM 741 SD MET C 137 22.742 -2.447 -27.899 1.00 0.00 S ATOM 742 CE MET C 137 22.946 -0.660 -28.060 1.00 0.00 C ATOM 0 H MET C 137 25.972 -2.098 -23.996 1.00 0.00 H new ATOM 0 HA MET C 137 23.156 -2.241 -23.402 1.00 0.00 H new ATOM 0 HB2 MET C 137 24.239 -1.219 -25.474 1.00 0.00 H new ATOM 0 HB3 MET C 137 24.753 -2.815 -25.985 1.00 0.00 H new ATOM 0 HG2 MET C 137 22.199 -3.479 -25.789 1.00 0.00 H new ATOM 0 HG3 MET C 137 21.890 -1.754 -25.753 1.00 0.00 H new ATOM 0 HE1 MET C 137 22.203 -0.270 -28.756 1.00 0.00 H new ATOM 0 HE2 MET C 137 22.813 -0.189 -27.086 1.00 0.00 H new ATOM 0 HE3 MET C 137 23.945 -0.440 -28.436 1.00 0.00 H new ATOM 752 N LYS C 138 24.585 -5.097 -24.320 1.00 0.00 N ATOM 753 CA LYS C 138 24.317 -6.581 -24.406 1.00 0.00 C ATOM 754 C LYS C 138 23.926 -7.169 -23.049 1.00 0.00 C ATOM 755 O LYS C 138 23.020 -7.977 -22.982 1.00 0.00 O ATOM 756 CB LYS C 138 25.592 -7.233 -24.985 1.00 0.00 C ATOM 757 CG LYS C 138 25.538 -7.196 -26.543 1.00 0.00 C ATOM 758 CD LYS C 138 25.762 -5.766 -27.062 1.00 0.00 C ATOM 759 CE LYS C 138 25.399 -5.668 -28.559 1.00 0.00 C ATOM 760 NZ LYS C 138 26.689 -5.548 -29.309 1.00 0.00 N1+ ATOM 0 H LYS C 138 25.537 -4.815 -24.554 1.00 0.00 H new ATOM 0 HA LYS C 138 23.465 -6.782 -25.055 1.00 0.00 H new ATOM 0 HB2 LYS C 138 26.476 -6.705 -24.629 1.00 0.00 H new ATOM 0 HB3 LYS C 138 25.675 -8.263 -24.638 1.00 0.00 H new ATOM 0 HG2 LYS C 138 26.298 -7.860 -26.954 1.00 0.00 H new ATOM 0 HG3 LYS C 138 24.572 -7.566 -26.887 1.00 0.00 H new ATOM 0 HD2 LYS C 138 25.155 -5.066 -26.488 1.00 0.00 H new ATOM 0 HD3 LYS C 138 26.803 -5.479 -26.915 1.00 0.00 H new ATOM 0 HE2 LYS C 138 24.845 -6.550 -28.881 1.00 0.00 H new ATOM 0 HE3 LYS C 138 24.761 -4.804 -28.746 1.00 0.00 H new ATOM 0 HZ1 LYS C 138 26.751 -4.605 -29.744 1.00 0.00 H new ATOM 0 HZ2 LYS C 138 27.485 -5.680 -28.653 1.00 0.00 H new ATOM 0 HZ3 LYS C 138 26.728 -6.275 -30.052 1.00 0.00 H new ATOM 774 N ASP C 139 24.533 -6.731 -21.952 1.00 0.00 N ATOM 775 CA ASP C 139 24.056 -7.260 -20.602 1.00 0.00 C ATOM 776 C ASP C 139 22.599 -6.850 -20.404 1.00 0.00 C ATOM 777 O ASP C 139 21.771 -7.633 -19.959 1.00 0.00 O ATOM 778 CB ASP C 139 24.905 -6.580 -19.521 1.00 0.00 C ATOM 779 CG ASP C 139 24.498 -7.158 -18.165 1.00 0.00 C ATOM 780 OD1 ASP C 139 24.975 -8.214 -17.835 1.00 0.00 O1- ATOM 781 OD2 ASP C 139 23.697 -6.549 -17.492 1.00 0.00 O ATOM 0 H ASP C 139 25.302 -6.062 -21.924 1.00 0.00 H new ATOM 0 HA ASP C 139 24.147 -8.345 -20.551 1.00 0.00 H new ATOM 0 HB2 ASP C 139 25.965 -6.752 -19.705 1.00 0.00 H new ATOM 0 HB3 ASP C 139 24.750 -5.501 -19.537 1.00 0.00 H new ATOM 786 N GLY C 140 22.282 -5.622 -20.733 1.00 0.00 N ATOM 787 CA GLY C 140 20.899 -5.133 -20.592 1.00 0.00 C ATOM 788 C GLY C 140 19.988 -5.780 -21.623 1.00 0.00 C ATOM 789 O GLY C 140 18.842 -6.060 -21.334 1.00 0.00 O ATOM 0 H GLY C 140 22.942 -4.936 -21.098 1.00 0.00 H new ATOM 0 HA2 GLY C 140 20.532 -5.351 -19.589 1.00 0.00 H new ATOM 0 HA3 GLY C 140 20.878 -4.050 -20.711 1.00 0.00 H new ATOM 793 N ASP C 141 20.441 -5.948 -22.849 1.00 0.00 N ATOM 794 CA ASP C 141 19.524 -6.462 -23.912 1.00 0.00 C ATOM 795 C ASP C 141 19.500 -7.983 -23.941 1.00 0.00 C ATOM 796 O ASP C 141 20.404 -8.624 -24.453 1.00 0.00 O ATOM 797 CB ASP C 141 20.058 -5.912 -25.245 1.00 0.00 C ATOM 798 CG ASP C 141 18.901 -5.622 -26.122 1.00 0.00 C ATOM 799 OD1 ASP C 141 18.165 -6.472 -26.413 1.00 0.00 O1- ATOM 800 OD2 ASP C 141 18.669 -4.528 -26.410 1.00 0.00 O ATOM 0 H ASP C 141 21.395 -5.753 -23.152 1.00 0.00 H new ATOM 0 HA ASP C 141 18.500 -6.139 -23.723 1.00 0.00 H new ATOM 0 HB2 ASP C 141 20.643 -5.008 -25.076 1.00 0.00 H new ATOM 0 HB3 ASP C 141 20.721 -6.637 -25.717 1.00 0.00 H new ATOM 805 N LYS C 142 18.459 -8.567 -23.434 1.00 0.00 N ATOM 806 CA LYS C 142 18.341 -10.070 -23.457 1.00 0.00 C ATOM 807 C LYS C 142 18.162 -10.620 -24.883 1.00 0.00 C ATOM 808 O LYS C 142 18.733 -11.641 -25.220 1.00 0.00 O ATOM 809 CB LYS C 142 17.136 -10.406 -22.574 1.00 0.00 C ATOM 810 CG LYS C 142 17.593 -10.460 -21.105 1.00 0.00 C ATOM 811 CD LYS C 142 17.728 -9.044 -20.494 1.00 0.00 C ATOM 812 CE LYS C 142 19.219 -8.696 -20.186 1.00 0.00 C ATOM 813 NZ LYS C 142 19.841 -9.891 -19.522 1.00 0.00 N1+ ATOM 0 H LYS C 142 17.675 -8.079 -23.000 1.00 0.00 H new ATOM 0 HA LYS C 142 19.255 -10.535 -23.086 1.00 0.00 H new ATOM 0 HB2 LYS C 142 16.356 -9.655 -22.699 1.00 0.00 H new ATOM 0 HB3 LYS C 142 16.707 -11.363 -22.871 1.00 0.00 H new ATOM 0 HG2 LYS C 142 16.878 -11.041 -20.523 1.00 0.00 H new ATOM 0 HG3 LYS C 142 18.551 -10.977 -21.041 1.00 0.00 H new ATOM 0 HD2 LYS C 142 17.316 -8.308 -21.184 1.00 0.00 H new ATOM 0 HD3 LYS C 142 17.142 -8.984 -19.577 1.00 0.00 H new ATOM 0 HE2 LYS C 142 19.751 -8.449 -21.105 1.00 0.00 H new ATOM 0 HE3 LYS C 142 19.281 -7.823 -19.537 1.00 0.00 H new ATOM 0 HZ1 LYS C 142 20.580 -9.576 -18.862 1.00 0.00 H new ATOM 0 HZ2 LYS C 142 19.111 -10.417 -19.000 1.00 0.00 H new ATOM 0 HZ3 LYS C 142 20.263 -10.509 -20.244 1.00 0.00 H new ATOM 827 N ASN C 143 17.377 -9.971 -25.718 1.00 0.00 N ATOM 828 CA ASN C 143 17.174 -10.499 -27.129 1.00 0.00 C ATOM 829 C ASN C 143 18.106 -9.797 -28.149 1.00 0.00 C ATOM 830 O ASN C 143 18.014 -10.052 -29.337 1.00 0.00 O ATOM 831 CB ASN C 143 15.668 -10.262 -27.460 1.00 0.00 C ATOM 832 CG ASN C 143 15.349 -8.761 -27.652 1.00 0.00 C ATOM 833 OD1 ASN C 143 16.213 -7.931 -27.555 1.00 0.00 O ATOM 834 ND2 ASN C 143 14.130 -8.384 -27.885 1.00 0.00 N ATOM 0 H ASN C 143 16.872 -9.113 -25.497 1.00 0.00 H new ATOM 0 HA ASN C 143 17.430 -11.557 -27.193 1.00 0.00 H new ATOM 0 HB2 ASN C 143 15.405 -10.808 -28.366 1.00 0.00 H new ATOM 0 HB3 ASN C 143 15.052 -10.664 -26.656 1.00 0.00 H new ATOM 0 HD21 ASN C 143 13.913 -7.392 -27.984 1.00 0.00 H new ATOM 0 HD22 ASN C 143 13.388 -9.079 -27.969 1.00 0.00 H new ATOM 841 N ASN C 144 18.983 -8.905 -27.697 1.00 0.00 N ATOM 842 CA ASN C 144 19.919 -8.131 -28.612 1.00 0.00 C ATOM 843 C ASN C 144 19.120 -7.392 -29.715 1.00 0.00 C ATOM 844 O ASN C 144 19.553 -7.310 -30.861 1.00 0.00 O ATOM 845 CB ASN C 144 20.872 -9.168 -29.236 1.00 0.00 C ATOM 846 CG ASN C 144 22.107 -8.449 -29.794 1.00 0.00 C ATOM 847 OD1 ASN C 144 23.062 -8.212 -29.079 1.00 0.00 O ATOM 848 ND2 ASN C 144 22.128 -8.064 -31.030 1.00 0.00 N ATOM 0 H ASN C 144 19.091 -8.677 -26.709 1.00 0.00 H new ATOM 0 HA ASN C 144 20.471 -7.372 -28.057 1.00 0.00 H new ATOM 0 HB2 ASN C 144 21.171 -9.901 -28.487 1.00 0.00 H new ATOM 0 HB3 ASN C 144 20.364 -9.714 -30.031 1.00 0.00 H new ATOM 0 HD21 ASN C 144 22.940 -7.567 -31.396 1.00 0.00 H new ATOM 0 HD22 ASN C 144 21.332 -8.258 -31.638 1.00 0.00 H new ATOM 855 N ASP C 145 17.989 -6.810 -29.373 1.00 0.00 N ATOM 856 CA ASP C 145 17.178 -6.037 -30.404 1.00 0.00 C ATOM 857 C ASP C 145 17.658 -4.576 -30.554 1.00 0.00 C ATOM 858 O ASP C 145 17.068 -3.806 -31.302 1.00 0.00 O ATOM 859 CB ASP C 145 15.691 -6.074 -29.929 1.00 0.00 C ATOM 860 CG ASP C 145 15.469 -5.398 -28.569 1.00 0.00 C ATOM 861 OD1 ASP C 145 16.390 -4.890 -27.987 1.00 0.00 O1- ATOM 862 OD2 ASP C 145 14.387 -5.450 -28.101 1.00 0.00 O ATOM 0 H ASP C 145 17.587 -6.831 -28.436 1.00 0.00 H new ATOM 0 HA ASP C 145 17.299 -6.496 -31.385 1.00 0.00 H new ATOM 0 HB2 ASP C 145 15.066 -5.584 -30.676 1.00 0.00 H new ATOM 0 HB3 ASP C 145 15.362 -7.111 -29.869 1.00 0.00 H new ATOM 867 N GLY C 146 18.705 -4.181 -29.867 1.00 0.00 N ATOM 868 CA GLY C 146 19.226 -2.781 -30.015 1.00 0.00 C ATOM 869 C GLY C 146 18.651 -1.840 -28.942 1.00 0.00 C ATOM 870 O GLY C 146 19.229 -0.793 -28.675 1.00 0.00 O ATOM 0 H GLY C 146 19.222 -4.766 -29.210 1.00 0.00 H new ATOM 0 HA2 GLY C 146 20.314 -2.789 -29.946 1.00 0.00 H new ATOM 0 HA3 GLY C 146 18.972 -2.402 -31.005 1.00 0.00 H new ATOM 874 N ARG C 147 17.554 -2.196 -28.293 1.00 0.00 N ATOM 875 CA ARG C 147 17.002 -1.293 -27.227 1.00 0.00 C ATOM 876 C ARG C 147 16.867 -2.082 -25.936 1.00 0.00 C ATOM 877 O ARG C 147 16.476 -3.280 -25.959 1.00 0.00 O ATOM 878 CB ARG C 147 15.600 -0.841 -27.728 1.00 0.00 C ATOM 879 CG ARG C 147 14.601 -2.019 -27.716 1.00 0.00 C ATOM 880 CD ARG C 147 13.282 -1.605 -28.370 1.00 0.00 C ATOM 881 NE ARG C 147 12.357 -2.761 -28.098 1.00 0.00 N ATOM 882 CZ ARG C 147 11.845 -3.418 -29.093 1.00 0.00 C ATOM 883 NH1 ARG C 147 10.897 -2.868 -29.799 1.00 0.00 N1+ ATOM 884 NH2 ARG C 147 12.291 -4.608 -29.380 1.00 0.00 N ATOM 0 H ARG C 147 17.030 -3.056 -28.454 1.00 0.00 H new ATOM 0 HA ARG C 147 17.646 -0.434 -27.039 1.00 0.00 H new ATOM 0 HB2 ARG C 147 15.226 -0.036 -27.095 1.00 0.00 H new ATOM 0 HB3 ARG C 147 15.683 -0.440 -28.738 1.00 0.00 H new ATOM 0 HG2 ARG C 147 15.026 -2.870 -28.247 1.00 0.00 H new ATOM 0 HG3 ARG C 147 14.421 -2.341 -26.690 1.00 0.00 H new ATOM 0 HD2 ARG C 147 12.899 -0.679 -27.942 1.00 0.00 H new ATOM 0 HD3 ARG C 147 13.404 -1.435 -29.440 1.00 0.00 H new ATOM 0 HE ARG C 147 12.134 -3.026 -27.139 1.00 0.00 H new ATOM 0 HH11 ARG C 147 10.566 -1.932 -29.567 1.00 0.00 H new ATOM 0 HH12 ARG C 147 10.486 -3.374 -30.584 1.00 0.00 H new ATOM 0 HH21 ARG C 147 13.040 -5.020 -28.823 1.00 0.00 H new ATOM 0 HH22 ARG C 147 11.891 -5.128 -30.161 1.00 0.00 H new ATOM 898 N ILE C 148 17.061 -1.449 -24.818 1.00 0.00 N ATOM 899 CA ILE C 148 16.851 -2.163 -23.540 1.00 0.00 C ATOM 900 C ILE C 148 15.359 -2.027 -23.220 1.00 0.00 C ATOM 901 O ILE C 148 14.829 -0.926 -23.059 1.00 0.00 O ATOM 902 CB ILE C 148 17.767 -1.453 -22.499 1.00 0.00 C ATOM 903 CG1 ILE C 148 19.238 -1.419 -23.004 1.00 0.00 C ATOM 904 CG2 ILE C 148 17.732 -2.216 -21.169 1.00 0.00 C ATOM 905 CD1 ILE C 148 19.688 -2.822 -23.440 1.00 0.00 C ATOM 0 H ILE C 148 17.354 -0.475 -24.736 1.00 0.00 H new ATOM 0 HA ILE C 148 17.103 -3.223 -23.553 1.00 0.00 H new ATOM 0 HB ILE C 148 17.401 -0.435 -22.362 1.00 0.00 H new ATOM 0 HG12 ILE C 148 19.326 -0.726 -23.841 1.00 0.00 H new ATOM 0 HG13 ILE C 148 19.892 -1.050 -22.214 1.00 0.00 H new ATOM 0 HG21 ILE C 148 18.374 -1.715 -20.445 1.00 0.00 H new ATOM 0 HG22 ILE C 148 16.710 -2.241 -20.791 1.00 0.00 H new ATOM 0 HG23 ILE C 148 18.087 -3.235 -21.325 1.00 0.00 H new ATOM 0 HD11 ILE C 148 20.719 -2.781 -23.791 1.00 0.00 H new ATOM 0 HD12 ILE C 148 19.620 -3.505 -22.594 1.00 0.00 H new ATOM 0 HD13 ILE C 148 19.045 -3.176 -24.246 1.00 0.00 H new ATOM 917 N ASP C 149 14.667 -3.123 -23.284 1.00 0.00 N ATOM 918 CA ASP C 149 13.178 -3.126 -23.161 1.00 0.00 C ATOM 919 C ASP C 149 12.744 -3.259 -21.712 1.00 0.00 C ATOM 920 O ASP C 149 13.553 -3.486 -20.820 1.00 0.00 O ATOM 921 CB ASP C 149 12.700 -4.344 -23.971 1.00 0.00 C ATOM 922 CG ASP C 149 11.375 -4.039 -24.613 1.00 0.00 C ATOM 923 OD1 ASP C 149 10.385 -4.015 -23.910 1.00 0.00 O ATOM 924 OD2 ASP C 149 11.365 -3.816 -25.798 1.00 0.00 O1- ATOM 0 H ASP C 149 15.078 -4.046 -23.420 1.00 0.00 H new ATOM 0 HA ASP C 149 12.752 -2.193 -23.529 1.00 0.00 H new ATOM 0 HB2 ASP C 149 13.436 -4.596 -24.735 1.00 0.00 H new ATOM 0 HB3 ASP C 149 12.607 -5.213 -23.319 1.00 0.00 H new ATOM 929 N TYR C 150 11.461 -3.161 -21.488 1.00 0.00 N ATOM 930 CA TYR C 150 10.867 -3.292 -20.113 1.00 0.00 C ATOM 931 C TYR C 150 11.354 -4.586 -19.442 1.00 0.00 C ATOM 932 O TYR C 150 11.963 -4.541 -18.391 1.00 0.00 O ATOM 933 CB TYR C 150 9.349 -3.392 -20.439 1.00 0.00 C ATOM 934 CG TYR C 150 8.497 -3.613 -19.212 1.00 0.00 C ATOM 935 CD1 TYR C 150 8.002 -2.526 -18.493 1.00 0.00 C ATOM 936 CD2 TYR C 150 8.154 -4.917 -18.835 1.00 0.00 C ATOM 937 CE1 TYR C 150 7.178 -2.744 -17.387 1.00 0.00 C ATOM 938 CE2 TYR C 150 7.328 -5.136 -17.743 1.00 0.00 C ATOM 939 CZ TYR C 150 6.832 -4.048 -17.016 1.00 0.00 C ATOM 940 OH TYR C 150 6.002 -4.254 -15.930 1.00 0.00 O ATOM 0 H TYR C 150 10.773 -2.990 -22.222 1.00 0.00 H new ATOM 0 HA TYR C 150 11.128 -2.481 -19.433 1.00 0.00 H new ATOM 0 HB2 TYR C 150 9.029 -2.477 -20.937 1.00 0.00 H new ATOM 0 HB3 TYR C 150 9.186 -4.211 -21.140 1.00 0.00 H new ATOM 0 HD1 TYR C 150 8.255 -1.519 -18.790 1.00 0.00 H new ATOM 0 HD2 TYR C 150 8.535 -5.757 -19.398 1.00 0.00 H new ATOM 0 HE1 TYR C 150 6.807 -1.905 -16.817 1.00 0.00 H new ATOM 0 HE2 TYR C 150 7.068 -6.144 -17.454 1.00 0.00 H new ATOM 0 HH TYR C 150 5.275 -4.860 -16.184 1.00 0.00 H new ATOM 950 N ASP C 151 11.151 -5.722 -20.068 1.00 0.00 N ATOM 951 CA ASP C 151 11.643 -7.018 -19.470 1.00 0.00 C ATOM 952 C ASP C 151 13.159 -7.087 -19.447 1.00 0.00 C ATOM 953 O ASP C 151 13.742 -7.514 -18.464 1.00 0.00 O ATOM 954 CB ASP C 151 11.033 -8.147 -20.314 1.00 0.00 C ATOM 955 CG ASP C 151 9.538 -8.230 -20.036 1.00 0.00 C ATOM 956 OD1 ASP C 151 9.161 -8.221 -18.884 1.00 0.00 O1- ATOM 957 OD2 ASP C 151 8.800 -8.344 -20.964 1.00 0.00 O ATOM 0 H ASP C 151 10.669 -5.814 -20.962 1.00 0.00 H new ATOM 0 HA ASP C 151 11.334 -7.105 -18.428 1.00 0.00 H new ATOM 0 HB2 ASP C 151 11.208 -7.960 -21.374 1.00 0.00 H new ATOM 0 HB3 ASP C 151 11.513 -9.096 -20.074 1.00 0.00 H new ATOM 962 N GLU C 152 13.818 -6.637 -20.504 1.00 0.00 N ATOM 963 CA GLU C 152 15.326 -6.673 -20.513 1.00 0.00 C ATOM 964 C GLU C 152 15.853 -5.797 -19.342 1.00 0.00 C ATOM 965 O GLU C 152 16.885 -6.088 -18.736 1.00 0.00 O ATOM 966 CB GLU C 152 15.770 -6.008 -21.836 1.00 0.00 C ATOM 967 CG GLU C 152 15.249 -6.740 -23.120 1.00 0.00 C ATOM 968 CD GLU C 152 15.843 -6.070 -24.380 1.00 0.00 C ATOM 969 OE1 GLU C 152 16.619 -5.199 -24.277 1.00 0.00 O ATOM 970 OE2 GLU C 152 15.514 -6.399 -25.435 1.00 0.00 O1- ATOM 0 H GLU C 152 13.385 -6.254 -21.344 1.00 0.00 H new ATOM 0 HA GLU C 152 15.700 -7.692 -20.416 1.00 0.00 H new ATOM 0 HB2 GLU C 152 15.417 -4.977 -21.849 1.00 0.00 H new ATOM 0 HB3 GLU C 152 16.859 -5.973 -21.866 1.00 0.00 H new ATOM 0 HG2 GLU C 152 15.530 -7.793 -23.089 1.00 0.00 H new ATOM 0 HG3 GLU C 152 14.160 -6.702 -23.155 1.00 0.00 H new ATOM 977 N PHE C 153 15.183 -4.689 -19.072 1.00 0.00 N ATOM 978 CA PHE C 153 15.659 -3.731 -18.024 1.00 0.00 C ATOM 979 C PHE C 153 15.736 -4.387 -16.634 1.00 0.00 C ATOM 980 O PHE C 153 16.674 -4.124 -15.891 1.00 0.00 O ATOM 981 CB PHE C 153 14.683 -2.546 -18.036 1.00 0.00 C ATOM 982 CG PHE C 153 15.253 -1.422 -17.194 1.00 0.00 C ATOM 983 CD1 PHE C 153 16.202 -0.550 -17.744 1.00 0.00 C ATOM 984 CD2 PHE C 153 14.834 -1.249 -15.877 1.00 0.00 C ATOM 985 CE1 PHE C 153 16.734 0.483 -16.971 1.00 0.00 C ATOM 986 CE2 PHE C 153 15.367 -0.214 -15.105 1.00 0.00 C ATOM 987 CZ PHE C 153 16.311 0.654 -15.653 1.00 0.00 C ATOM 0 H PHE C 153 14.321 -4.412 -19.541 1.00 0.00 H new ATOM 0 HA PHE C 153 16.674 -3.401 -18.244 1.00 0.00 H new ATOM 0 HB2 PHE C 153 14.520 -2.204 -19.058 1.00 0.00 H new ATOM 0 HB3 PHE C 153 13.713 -2.854 -17.645 1.00 0.00 H new ATOM 0 HD1 PHE C 153 16.522 -0.677 -18.768 1.00 0.00 H new ATOM 0 HD2 PHE C 153 14.097 -1.915 -15.453 1.00 0.00 H new ATOM 0 HE1 PHE C 153 17.472 1.149 -17.393 1.00 0.00 H new ATOM 0 HE2 PHE C 153 15.047 -0.086 -14.081 1.00 0.00 H new ATOM 0 HZ PHE C 153 16.715 1.459 -15.057 1.00 0.00 H new ATOM 997 N LEU C 154 14.776 -5.247 -16.264 1.00 0.00 N ATOM 998 CA LEU C 154 14.859 -5.912 -14.887 1.00 0.00 C ATOM 999 C LEU C 154 16.231 -6.542 -14.757 1.00 0.00 C ATOM 1000 O LEU C 154 16.944 -6.333 -13.780 1.00 0.00 O ATOM 1001 CB LEU C 154 13.842 -7.097 -14.890 1.00 0.00 C ATOM 1002 CG LEU C 154 12.393 -6.665 -14.710 1.00 0.00 C ATOM 1003 CD1 LEU C 154 12.255 -5.579 -13.650 1.00 0.00 C ATOM 1004 CD2 LEU C 154 11.821 -6.199 -16.032 1.00 0.00 C ATOM 0 H LEU C 154 13.970 -5.508 -16.832 1.00 0.00 H new ATOM 0 HA LEU C 154 14.664 -5.191 -14.093 1.00 0.00 H new ATOM 0 HB2 LEU C 154 13.935 -7.641 -15.830 1.00 0.00 H new ATOM 0 HB3 LEU C 154 14.106 -7.792 -14.093 1.00 0.00 H new ATOM 0 HG LEU C 154 11.826 -7.529 -14.363 1.00 0.00 H new ATOM 0 HD11 LEU C 154 11.206 -5.298 -13.551 1.00 0.00 H new ATOM 0 HD12 LEU C 154 12.622 -5.954 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU C 154 12.838 -4.707 -13.945 1.00 0.00 H new ATOM 0 HD21 LEU C 154 10.784 -5.892 -15.892 1.00 0.00 H new ATOM 0 HD22 LEU C 154 12.402 -5.355 -16.403 1.00 0.00 H new ATOM 0 HD23 LEU C 154 11.864 -7.014 -16.755 1.00 0.00 H new ATOM 1016 N GLU C 155 16.603 -7.317 -15.747 1.00 0.00 N ATOM 1017 CA GLU C 155 17.911 -8.010 -15.707 1.00 0.00 C ATOM 1018 C GLU C 155 19.051 -6.981 -15.722 1.00 0.00 C ATOM 1019 O GLU C 155 20.031 -7.126 -15.014 1.00 0.00 O ATOM 1020 CB GLU C 155 17.964 -8.886 -16.949 1.00 0.00 C ATOM 1021 CG GLU C 155 16.777 -9.873 -16.934 1.00 0.00 C ATOM 1022 CD GLU C 155 16.973 -10.970 -17.965 1.00 0.00 C ATOM 1023 OE1 GLU C 155 18.122 -11.319 -18.233 1.00 0.00 O1- ATOM 1024 OE2 GLU C 155 16.001 -11.467 -18.438 1.00 0.00 O ATOM 0 H GLU C 155 16.047 -7.495 -16.583 1.00 0.00 H new ATOM 0 HA GLU C 155 18.024 -8.606 -14.802 1.00 0.00 H new ATOM 0 HB2 GLU C 155 17.925 -8.267 -17.845 1.00 0.00 H new ATOM 0 HB3 GLU C 155 18.906 -9.434 -16.981 1.00 0.00 H new ATOM 0 HG2 GLU C 155 16.678 -10.314 -15.942 1.00 0.00 H new ATOM 0 HG3 GLU C 155 15.850 -9.337 -17.139 1.00 0.00 H new ATOM 1031 N PHE C 156 18.904 -5.915 -16.485 1.00 0.00 N ATOM 1032 CA PHE C 156 19.959 -4.844 -16.493 1.00 0.00 C ATOM 1033 C PHE C 156 20.097 -4.275 -15.078 1.00 0.00 C ATOM 1034 O PHE C 156 21.192 -4.168 -14.565 1.00 0.00 O ATOM 1035 CB PHE C 156 19.456 -3.775 -17.485 1.00 0.00 C ATOM 1036 CG PHE C 156 20.543 -2.746 -17.740 1.00 0.00 C ATOM 1037 CD1 PHE C 156 21.749 -3.135 -18.340 1.00 0.00 C ATOM 1038 CD2 PHE C 156 20.345 -1.409 -17.378 1.00 0.00 C ATOM 1039 CE1 PHE C 156 22.748 -2.195 -18.580 1.00 0.00 C ATOM 1040 CE2 PHE C 156 21.348 -0.465 -17.619 1.00 0.00 C ATOM 1041 CZ PHE C 156 22.549 -0.859 -18.223 1.00 0.00 C ATOM 0 H PHE C 156 18.106 -5.743 -17.097 1.00 0.00 H new ATOM 0 HA PHE C 156 20.940 -5.212 -16.793 1.00 0.00 H new ATOM 0 HB2 PHE C 156 19.164 -4.247 -18.423 1.00 0.00 H new ATOM 0 HB3 PHE C 156 18.568 -3.286 -17.085 1.00 0.00 H new ATOM 0 HD1 PHE C 156 21.904 -4.167 -18.617 1.00 0.00 H new ATOM 0 HD2 PHE C 156 19.418 -1.106 -16.913 1.00 0.00 H new ATOM 0 HE1 PHE C 156 23.676 -2.499 -19.042 1.00 0.00 H new ATOM 0 HE2 PHE C 156 21.197 0.567 -17.340 1.00 0.00 H new ATOM 0 HZ PHE C 156 23.322 -0.129 -18.413 1.00 0.00 H new ATOM 1051 N MET C 157 18.986 -4.012 -14.390 1.00 0.00 N ATOM 1052 CA MET C 157 19.104 -3.556 -12.955 1.00 0.00 C ATOM 1053 C MET C 157 19.830 -4.631 -12.143 1.00 0.00 C ATOM 1054 O MET C 157 20.632 -4.311 -11.336 1.00 0.00 O ATOM 1055 CB MET C 157 17.675 -3.349 -12.411 1.00 0.00 C ATOM 1056 CG MET C 157 16.993 -2.164 -13.118 1.00 0.00 C ATOM 1057 SD MET C 157 15.454 -1.726 -12.253 1.00 0.00 S ATOM 1058 CE MET C 157 14.578 -3.296 -12.456 1.00 0.00 C ATOM 0 H MET C 157 18.036 -4.092 -14.752 1.00 0.00 H new ATOM 0 HA MET C 157 19.670 -2.627 -12.884 1.00 0.00 H new ATOM 0 HB2 MET C 157 17.088 -4.255 -12.561 1.00 0.00 H new ATOM 0 HB3 MET C 157 17.712 -3.167 -11.337 1.00 0.00 H new ATOM 0 HG2 MET C 157 17.665 -1.306 -13.138 1.00 0.00 H new ATOM 0 HG3 MET C 157 16.776 -2.424 -14.154 1.00 0.00 H new ATOM 0 HE1 MET C 157 13.535 -3.171 -12.164 1.00 0.00 H new ATOM 0 HE2 MET C 157 14.628 -3.608 -13.499 1.00 0.00 H new ATOM 0 HE3 MET C 157 15.043 -4.056 -11.827 1.00 0.00 H new