USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot 145:sc= 0.851 USER MOD Set 1.2: B 144 SER OG : rot -76:sc= 0.784 USER MOD Single : A 15 SER OG : rot 86:sc= 0.743 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 22 MET CE :methyl -167:sc= -0.0104 (180deg=-0.13) USER MOD Single : A 34 MET CE :methyl -174:sc=-0.00845 (180deg=-0.0675) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 39 GLN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 71:sc= 0.521 USER MOD Single : A 49 LYS NZ :NH3+ -160:sc= 1.32 (180deg=1.08) USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 2.16 (180deg=2.15) USER MOD Single : A 55 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.2!) USER MOD Single : B 115 SER OG : rot 180:sc= 0.807 USER MOD Single : B 120 GLN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : B 122 MET CE :methyl -160:sc= -0.27 (180deg=-0.695) USER MOD Single : B 133 SER OG : rot 24:sc= 0.0324 USER MOD Single : B 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 138 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 139 GLN : amide:sc= 0.932 K(o=0.93,f=0) USER MOD Single : B 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 146 THR OG1 : rot 74:sc= 0.771 USER MOD Single : B 149 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.19) USER MOD Single : B 152 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.14) USER MOD Single : B 155 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.4!) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 10 -9.357 12.811 0.493 1.00 0.00 N ATOM 115 CA PRO A 10 -10.369 11.876 -0.013 1.00 0.00 C ATOM 116 C PRO A 10 -9.761 10.695 -0.781 1.00 0.00 C ATOM 117 O PRO A 10 -8.608 10.722 -1.222 1.00 0.00 O ATOM 118 CB PRO A 10 -11.298 12.715 -0.902 1.00 0.00 C ATOM 119 CG PRO A 10 -10.383 13.833 -1.390 1.00 0.00 C ATOM 120 CD PRO A 10 -9.499 14.099 -0.174 1.00 0.00 C ATOM 0 HA PRO A 10 -10.909 11.411 0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.700 12.132 -1.730 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.149 13.104 -0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.797 13.527 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.947 14.719 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.529 14.495 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.954 14.836 0.488 1.00 0.00 H new ATOM 128 N ILE A 11 -10.580 9.661 -0.984 1.00 0.00 N ATOM 129 CA ILE A 11 -10.191 8.402 -1.635 1.00 0.00 C ATOM 130 C ILE A 11 -9.606 8.586 -3.042 1.00 0.00 C ATOM 131 O ILE A 11 -8.671 7.879 -3.415 1.00 0.00 O ATOM 132 CB ILE A 11 -11.383 7.418 -1.626 1.00 0.00 C ATOM 133 CG1 ILE A 11 -10.909 6.028 -2.086 1.00 0.00 C ATOM 134 CG2 ILE A 11 -12.592 7.899 -2.450 1.00 0.00 C ATOM 135 CD1 ILE A 11 -11.841 4.903 -1.655 1.00 0.00 C ATOM 0 H ILE A 11 -11.558 9.673 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.374 7.978 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.743 7.362 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.821 6.022 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.913 5.840 -1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.388 7.156 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -12.952 8.847 -2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -12.293 8.035 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.450 3.950 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.909 4.884 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.832 5.069 -2.078 1.00 0.00 H new ATOM 147 N ASP A 12 -10.104 9.560 -3.807 1.00 0.00 N ATOM 148 CA ASP A 12 -9.631 9.853 -5.166 1.00 0.00 C ATOM 149 C ASP A 12 -8.171 10.332 -5.209 1.00 0.00 C ATOM 150 O ASP A 12 -7.489 10.126 -6.211 1.00 0.00 O ATOM 151 CB ASP A 12 -10.550 10.901 -5.817 1.00 0.00 C ATOM 152 CG ASP A 12 -11.997 10.430 -6.053 1.00 0.00 C ATOM 153 OD1 ASP A 12 -12.911 11.293 -6.067 1.00 0.00 O ATOM 154 OD2 ASP A 12 -12.227 9.214 -6.262 1.00 0.00 O1- ATOM 0 H ASP A 12 -10.856 10.176 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.667 8.918 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.570 11.789 -5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.119 11.199 -6.773 1.00 0.00 H new ATOM 159 N GLU A 13 -7.661 10.938 -4.129 1.00 0.00 N ATOM 160 CA GLU A 13 -6.249 11.331 -4.011 1.00 0.00 C ATOM 161 C GLU A 13 -5.351 10.155 -3.604 1.00 0.00 C ATOM 162 O GLU A 13 -4.429 9.808 -4.341 1.00 0.00 O ATOM 163 CB GLU A 13 -6.110 12.518 -3.041 1.00 0.00 C ATOM 164 CG GLU A 13 -6.844 13.789 -3.499 1.00 0.00 C ATOM 165 CD GLU A 13 -6.412 14.300 -4.893 1.00 0.00 C ATOM 166 OE1 GLU A 13 -5.201 14.280 -5.218 1.00 0.00 O ATOM 167 OE2 GLU A 13 -7.286 14.764 -5.671 1.00 0.00 O1- ATOM 0 H GLU A 13 -8.219 11.171 -3.307 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.905 11.648 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.492 12.222 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.052 12.748 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.916 13.592 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.674 14.578 -2.766 1.00 0.00 H new ATOM 174 N LEU A 14 -5.628 9.476 -2.481 1.00 0.00 N ATOM 175 CA LEU A 14 -4.776 8.371 -2.006 1.00 0.00 C ATOM 176 C LEU A 14 -4.739 7.171 -2.973 1.00 0.00 C ATOM 177 O LEU A 14 -3.698 6.519 -3.106 1.00 0.00 O ATOM 178 CB LEU A 14 -5.156 7.969 -0.569 1.00 0.00 C ATOM 179 CG LEU A 14 -6.581 7.418 -0.368 1.00 0.00 C ATOM 180 CD1 LEU A 14 -6.599 5.888 -0.387 1.00 0.00 C ATOM 181 CD2 LEU A 14 -7.145 7.862 0.980 1.00 0.00 C ATOM 0 H LEU A 14 -6.433 9.670 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.751 8.742 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.447 7.216 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.032 8.840 0.074 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.184 7.808 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.620 5.534 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.224 5.532 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.966 5.507 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.152 7.463 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.507 7.490 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.179 8.951 1.019 1.00 0.00 H new ATOM 193 N SER A 15 -5.836 6.907 -3.694 1.00 0.00 N ATOM 194 CA SER A 15 -5.897 5.863 -4.728 1.00 0.00 C ATOM 195 C SER A 15 -5.158 6.248 -6.019 1.00 0.00 C ATOM 196 O SER A 15 -4.709 5.363 -6.748 1.00 0.00 O ATOM 197 CB SER A 15 -7.348 5.515 -5.079 1.00 0.00 C ATOM 198 OG SER A 15 -8.085 5.157 -3.925 1.00 0.00 O ATOM 0 H SER A 15 -6.713 7.415 -3.576 1.00 0.00 H new ATOM 0 HA SER A 15 -5.396 4.997 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.821 6.368 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.364 4.692 -5.793 1.00 0.00 H new ATOM 0 HG SER A 15 -8.440 5.965 -3.500 1.00 0.00 H new ATOM 204 N ALA A 16 -4.979 7.544 -6.294 1.00 0.00 N ATOM 205 CA ALA A 16 -4.073 8.015 -7.342 1.00 0.00 C ATOM 206 C ALA A 16 -2.601 7.961 -6.896 1.00 0.00 C ATOM 207 O ALA A 16 -1.750 7.557 -7.683 1.00 0.00 O ATOM 208 CB ALA A 16 -4.458 9.437 -7.767 1.00 0.00 C ATOM 0 H ALA A 16 -5.458 8.294 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.174 7.346 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.779 9.780 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.479 9.439 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.390 10.104 -6.908 1.00 0.00 H new ATOM 214 N LEU A 17 -2.294 8.305 -5.638 1.00 0.00 N ATOM 215 CA LEU A 17 -0.921 8.322 -5.109 1.00 0.00 C ATOM 216 C LEU A 17 -0.246 6.942 -5.187 1.00 0.00 C ATOM 217 O LEU A 17 0.910 6.862 -5.598 1.00 0.00 O ATOM 218 CB LEU A 17 -0.926 8.860 -3.660 1.00 0.00 C ATOM 219 CG LEU A 17 -0.530 10.346 -3.551 1.00 0.00 C ATOM 220 CD1 LEU A 17 -1.492 11.304 -4.250 1.00 0.00 C ATOM 221 CD2 LEU A 17 -0.464 10.764 -2.081 1.00 0.00 C ATOM 0 H LEU A 17 -2.996 8.582 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.329 8.989 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.921 8.726 -3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.239 8.265 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 17 0.438 10.419 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.140 12.328 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.538 11.063 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.485 11.206 -3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.184 11.815 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.440 10.618 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.278 10.157 -1.563 1.00 0.00 H new ATOM 233 N LEU A 18 -0.955 5.848 -4.874 1.00 0.00 N ATOM 234 CA LEU A 18 -0.390 4.496 -5.003 1.00 0.00 C ATOM 235 C LEU A 18 -0.113 4.109 -6.468 1.00 0.00 C ATOM 236 O LEU A 18 0.893 3.451 -6.742 1.00 0.00 O ATOM 237 CB LEU A 18 -1.263 3.472 -4.245 1.00 0.00 C ATOM 238 CG LEU A 18 -2.602 3.100 -4.911 1.00 0.00 C ATOM 239 CD1 LEU A 18 -2.501 1.891 -5.849 1.00 0.00 C ATOM 240 CD2 LEU A 18 -3.614 2.741 -3.831 1.00 0.00 C ATOM 0 H LEU A 18 -1.915 5.872 -4.532 1.00 0.00 H new ATOM 0 HA LEU A 18 0.591 4.490 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.682 2.560 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.472 3.868 -3.251 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.902 3.968 -5.498 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.479 1.685 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.789 2.107 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.163 1.021 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.564 2.477 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.245 1.894 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.759 3.595 -3.170 1.00 0.00 H new ATOM 252 N ARG A 19 -0.949 4.556 -7.420 1.00 0.00 N ATOM 253 CA ARG A 19 -0.699 4.365 -8.855 1.00 0.00 C ATOM 254 C ARG A 19 0.477 5.211 -9.335 1.00 0.00 C ATOM 255 O ARG A 19 1.331 4.705 -10.054 1.00 0.00 O ATOM 256 CB ARG A 19 -1.955 4.679 -9.686 1.00 0.00 C ATOM 257 CG ARG A 19 -3.090 3.656 -9.514 1.00 0.00 C ATOM 258 CD ARG A 19 -4.103 3.841 -10.653 1.00 0.00 C ATOM 259 NE ARG A 19 -5.381 3.164 -10.397 1.00 0.00 N ATOM 260 CZ ARG A 19 -5.694 1.896 -10.573 1.00 0.00 C ATOM 261 NH1 ARG A 19 -4.850 0.985 -10.962 1.00 0.00 N1+ ATOM 262 NH2 ARG A 19 -6.920 1.525 -10.365 1.00 0.00 N ATOM 0 H ARG A 19 -1.813 5.058 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.444 3.315 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.324 5.666 -9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.679 4.726 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.689 2.642 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.578 3.793 -8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.285 4.905 -10.801 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.674 3.459 -11.579 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.128 3.756 -10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.879 1.236 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.159 0.020 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.617 2.209 -10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.186 0.549 -10.495 1.00 0.00 H new ATOM 276 N GLN A 20 0.564 6.466 -8.898 1.00 0.00 N ATOM 277 CA GLN A 20 1.664 7.388 -9.202 1.00 0.00 C ATOM 278 C GLN A 20 3.026 6.857 -8.720 1.00 0.00 C ATOM 279 O GLN A 20 4.017 6.969 -9.445 1.00 0.00 O ATOM 280 CB GLN A 20 1.355 8.765 -8.587 1.00 0.00 C ATOM 281 CG GLN A 20 0.266 9.536 -9.352 1.00 0.00 C ATOM 282 CD GLN A 20 -0.298 10.720 -8.559 1.00 0.00 C ATOM 283 OE1 GLN A 20 0.208 11.133 -7.521 1.00 0.00 O ATOM 284 NE2 GLN A 20 -1.377 11.321 -9.011 1.00 0.00 N ATOM 0 H GLN A 20 -0.151 6.885 -8.303 1.00 0.00 H new ATOM 0 HA GLN A 20 1.741 7.481 -10.285 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.039 8.632 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.268 9.361 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.679 9.900 -10.293 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.546 8.854 -9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.818 10.998 -9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.773 12.110 -8.500 1.00 0.00 H new ATOM 293 N GLU A 21 3.086 6.209 -7.548 1.00 0.00 N ATOM 294 CA GLU A 21 4.301 5.528 -7.061 1.00 0.00 C ATOM 295 C GLU A 21 4.702 4.303 -7.909 1.00 0.00 C ATOM 296 O GLU A 21 5.891 3.992 -8.000 1.00 0.00 O ATOM 297 CB GLU A 21 4.114 5.102 -5.590 1.00 0.00 C ATOM 298 CG GLU A 21 4.136 6.264 -4.583 1.00 0.00 C ATOM 299 CD GLU A 21 5.458 7.057 -4.562 1.00 0.00 C ATOM 300 OE1 GLU A 21 5.454 8.202 -4.052 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.502 6.544 -5.028 1.00 0.00 O1- ATOM 0 H GLU A 21 2.295 6.140 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 21 5.113 6.250 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.165 4.574 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.900 4.395 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.319 6.947 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.946 5.869 -3.585 1.00 0.00 H new ATOM 308 N MET A 22 3.739 3.631 -8.551 1.00 0.00 N ATOM 309 CA MET A 22 3.959 2.486 -9.451 1.00 0.00 C ATOM 310 C MET A 22 4.098 2.856 -10.946 1.00 0.00 C ATOM 311 O MET A 22 4.336 1.975 -11.780 1.00 0.00 O ATOM 312 CB MET A 22 2.843 1.444 -9.234 1.00 0.00 C ATOM 313 CG MET A 22 3.018 0.701 -7.904 1.00 0.00 C ATOM 314 SD MET A 22 1.861 -0.674 -7.637 1.00 0.00 S ATOM 315 CE MET A 22 0.416 0.227 -7.014 1.00 0.00 C ATOM 0 H MET A 22 2.753 3.875 -8.457 1.00 0.00 H new ATOM 0 HA MET A 22 4.928 2.064 -9.185 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.873 1.940 -9.250 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.848 0.728 -10.055 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.036 0.315 -7.851 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.905 1.415 -7.088 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.296 -0.479 -6.587 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.731 0.934 -6.247 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.057 0.768 -7.834 1.00 0.00 H new ATOM 325 N GLY A 23 3.956 4.135 -11.315 1.00 0.00 N ATOM 326 CA GLY A 23 3.918 4.592 -12.720 1.00 0.00 C ATOM 327 C GLY A 23 2.626 4.229 -13.480 1.00 0.00 C ATOM 328 O GLY A 23 2.603 4.232 -14.711 1.00 0.00 O ATOM 0 H GLY A 23 3.863 4.895 -10.642 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.043 5.675 -12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.768 4.163 -13.251 1.00 0.00 H new ATOM 420 N MET A 34 -16.559 -4.402 -3.682 1.00 0.00 N ATOM 421 CA MET A 34 -15.650 -5.361 -3.035 1.00 0.00 C ATOM 422 C MET A 34 -14.617 -5.957 -4.014 1.00 0.00 C ATOM 423 O MET A 34 -13.453 -6.142 -3.660 1.00 0.00 O ATOM 424 CB MET A 34 -16.487 -6.467 -2.378 1.00 0.00 C ATOM 425 CG MET A 34 -15.711 -7.247 -1.304 1.00 0.00 C ATOM 426 SD MET A 34 -16.106 -6.822 0.417 1.00 0.00 S ATOM 427 CE MET A 34 -15.558 -5.093 0.504 1.00 0.00 C ATOM 0 HA MET A 34 -15.073 -4.829 -2.279 1.00 0.00 H new ATOM 0 HB2 MET A 34 -17.375 -6.024 -1.927 1.00 0.00 H new ATOM 0 HB3 MET A 34 -16.831 -7.160 -3.146 1.00 0.00 H new ATOM 0 HG2 MET A 34 -15.898 -8.311 -1.448 1.00 0.00 H new ATOM 0 HG3 MET A 34 -14.645 -7.086 -1.463 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.641 -4.736 1.531 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.520 -5.023 0.179 1.00 0.00 H new ATOM 0 HE3 MET A 34 -16.183 -4.480 -0.145 1.00 0.00 H new ATOM 437 N GLN A 35 -15.020 -6.184 -5.270 1.00 0.00 N ATOM 438 CA GLN A 35 -14.147 -6.692 -6.335 1.00 0.00 C ATOM 439 C GLN A 35 -13.075 -5.679 -6.775 1.00 0.00 C ATOM 440 O GLN A 35 -11.993 -6.072 -7.216 1.00 0.00 O ATOM 441 CB GLN A 35 -15.001 -7.102 -7.545 1.00 0.00 C ATOM 442 CG GLN A 35 -16.080 -8.152 -7.235 1.00 0.00 C ATOM 443 CD GLN A 35 -15.536 -9.521 -6.816 1.00 0.00 C ATOM 444 OE1 GLN A 35 -14.369 -9.860 -6.992 1.00 0.00 O ATOM 445 NE2 GLN A 35 -16.367 -10.380 -6.255 1.00 0.00 N ATOM 0 H GLN A 35 -15.977 -6.017 -5.580 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.617 -7.553 -5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.483 -6.213 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.344 -7.493 -8.322 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.721 -7.771 -6.440 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.708 -8.280 -8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.341 -10.120 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.035 -11.304 -5.977 1.00 0.00 H new ATOM 454 N ASP A 36 -13.342 -4.376 -6.640 1.00 0.00 N ATOM 455 CA ASP A 36 -12.367 -3.319 -6.951 1.00 0.00 C ATOM 456 C ASP A 36 -11.309 -3.208 -5.850 1.00 0.00 C ATOM 457 O ASP A 36 -10.112 -3.212 -6.134 1.00 0.00 O ATOM 458 CB ASP A 36 -13.050 -1.957 -7.153 1.00 0.00 C ATOM 459 CG ASP A 36 -14.142 -1.895 -8.235 1.00 0.00 C ATOM 460 OD1 ASP A 36 -14.197 -2.771 -9.131 1.00 0.00 O ATOM 461 OD2 ASP A 36 -14.920 -0.913 -8.222 1.00 0.00 O1- ATOM 0 H ASP A 36 -14.240 -4.021 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.881 -3.600 -7.885 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.491 -1.652 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.283 -1.223 -7.399 1.00 0.00 H new ATOM 466 N ILE A 37 -11.727 -3.163 -4.575 1.00 0.00 N ATOM 467 CA ILE A 37 -10.806 -3.080 -3.428 1.00 0.00 C ATOM 468 C ILE A 37 -9.962 -4.355 -3.273 1.00 0.00 C ATOM 469 O ILE A 37 -8.777 -4.249 -2.964 1.00 0.00 O ATOM 470 CB ILE A 37 -11.538 -2.674 -2.126 1.00 0.00 C ATOM 471 CG1 ILE A 37 -10.545 -2.538 -0.947 1.00 0.00 C ATOM 472 CG2 ILE A 37 -12.685 -3.633 -1.787 1.00 0.00 C ATOM 473 CD1 ILE A 37 -11.192 -2.104 0.375 1.00 0.00 C ATOM 0 H ILE A 37 -12.712 -3.183 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.099 -2.277 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.986 -1.696 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.044 -3.494 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.776 -1.814 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.170 -3.309 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -13.412 -3.632 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.290 -4.640 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.427 -2.033 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.668 -1.132 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.941 -2.838 0.672 1.00 0.00 H new ATOM 485 N GLN A 38 -10.501 -5.548 -3.564 1.00 0.00 N ATOM 486 CA GLN A 38 -9.719 -6.793 -3.542 1.00 0.00 C ATOM 487 C GLN A 38 -8.549 -6.797 -4.550 1.00 0.00 C ATOM 488 O GLN A 38 -7.546 -7.471 -4.318 1.00 0.00 O ATOM 489 CB GLN A 38 -10.635 -8.002 -3.784 1.00 0.00 C ATOM 490 CG GLN A 38 -11.390 -8.415 -2.514 1.00 0.00 C ATOM 491 CD GLN A 38 -12.369 -9.561 -2.765 1.00 0.00 C ATOM 492 OE1 GLN A 38 -13.574 -9.453 -2.562 1.00 0.00 O ATOM 493 NE2 GLN A 38 -11.908 -10.708 -3.216 1.00 0.00 N ATOM 0 H GLN A 38 -11.480 -5.677 -3.819 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.273 -6.862 -2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.351 -7.762 -4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.039 -8.842 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.673 -8.714 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.934 -7.555 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.910 -10.823 -3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.549 -11.483 -3.389 1.00 0.00 H new ATOM 502 N GLN A 39 -8.643 -6.024 -5.637 1.00 0.00 N ATOM 503 CA GLN A 39 -7.532 -5.773 -6.560 1.00 0.00 C ATOM 504 C GLN A 39 -6.642 -4.610 -6.081 1.00 0.00 C ATOM 505 O GLN A 39 -5.421 -4.752 -5.994 1.00 0.00 O ATOM 506 CB GLN A 39 -8.073 -5.510 -7.974 1.00 0.00 C ATOM 507 CG GLN A 39 -8.749 -6.753 -8.580 1.00 0.00 C ATOM 508 CD GLN A 39 -9.469 -6.426 -9.884 1.00 0.00 C ATOM 509 OE1 GLN A 39 -8.897 -6.421 -10.966 1.00 0.00 O ATOM 510 NE2 GLN A 39 -10.752 -6.146 -9.831 1.00 0.00 N ATOM 0 H GLN A 39 -9.505 -5.549 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.904 -6.664 -6.584 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.790 -4.689 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.255 -5.192 -8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.999 -7.523 -8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.461 -7.165 -7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.238 -6.148 -8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -11.262 -5.927 -10.687 1.00 0.00 H new ATOM 519 N LEU A 40 -7.244 -3.465 -5.746 1.00 0.00 N ATOM 520 CA LEU A 40 -6.540 -2.209 -5.449 1.00 0.00 C ATOM 521 C LEU A 40 -5.697 -2.274 -4.158 1.00 0.00 C ATOM 522 O LEU A 40 -4.538 -1.856 -4.159 1.00 0.00 O ATOM 523 CB LEU A 40 -7.614 -1.102 -5.402 1.00 0.00 C ATOM 524 CG LEU A 40 -7.091 0.335 -5.245 1.00 0.00 C ATOM 525 CD1 LEU A 40 -6.267 0.779 -6.457 1.00 0.00 C ATOM 526 CD2 LEU A 40 -8.277 1.282 -5.096 1.00 0.00 C ATOM 0 H LEU A 40 -8.258 -3.381 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.805 -2.000 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.203 -1.155 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.291 -1.314 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.449 0.361 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.917 1.800 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.410 0.116 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.886 0.738 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.915 2.304 -4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.909 1.216 -5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.856 1.004 -4.216 1.00 0.00 H new ATOM 538 N LEU A 41 -6.265 -2.825 -3.079 1.00 0.00 N ATOM 539 CA LEU A 41 -5.599 -3.016 -1.784 1.00 0.00 C ATOM 540 C LEU A 41 -4.551 -4.147 -1.813 1.00 0.00 C ATOM 541 O LEU A 41 -3.599 -4.142 -1.032 1.00 0.00 O ATOM 542 CB LEU A 41 -6.692 -3.248 -0.717 1.00 0.00 C ATOM 543 CG LEU A 41 -6.226 -3.254 0.749 1.00 0.00 C ATOM 544 CD1 LEU A 41 -5.558 -1.937 1.145 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.425 -3.447 1.687 1.00 0.00 C ATOM 0 H LEU A 41 -7.228 -3.160 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.028 -2.122 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.451 -2.474 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.176 -4.202 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.511 -4.071 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.245 -1.987 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.687 -1.766 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.265 -1.117 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.081 -3.449 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.135 -2.633 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.912 -4.396 1.464 1.00 0.00 H new ATOM 557 N ALA A 42 -4.682 -5.095 -2.745 1.00 0.00 N ATOM 558 CA ALA A 42 -3.656 -6.093 -3.037 1.00 0.00 C ATOM 559 C ALA A 42 -2.484 -5.517 -3.868 1.00 0.00 C ATOM 560 O ALA A 42 -1.343 -5.961 -3.702 1.00 0.00 O ATOM 561 CB ALA A 42 -4.319 -7.287 -3.736 1.00 0.00 C ATOM 0 H ALA A 42 -5.516 -5.190 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.209 -6.421 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.565 -8.041 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.078 -7.716 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.786 -6.953 -4.663 1.00 0.00 H new ATOM 567 N LYS A 43 -2.721 -4.514 -4.729 1.00 0.00 N ATOM 568 CA LYS A 43 -1.679 -3.886 -5.560 1.00 0.00 C ATOM 569 C LYS A 43 -0.675 -3.062 -4.739 1.00 0.00 C ATOM 570 O LYS A 43 0.530 -3.167 -4.964 1.00 0.00 O ATOM 571 CB LYS A 43 -2.338 -3.057 -6.680 1.00 0.00 C ATOM 572 CG LYS A 43 -1.414 -2.987 -7.904 1.00 0.00 C ATOM 573 CD LYS A 43 -2.024 -2.185 -9.058 1.00 0.00 C ATOM 574 CE LYS A 43 -1.059 -2.203 -10.247 1.00 0.00 C ATOM 575 NZ LYS A 43 -1.679 -1.666 -11.483 1.00 0.00 N1+ ATOM 0 H LYS A 43 -3.648 -4.113 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.089 -4.681 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.291 -3.505 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.552 -2.051 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.466 -2.535 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.193 -3.998 -8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.984 -2.613 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.214 -1.159 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.174 -1.616 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.725 -3.225 -10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.988 -1.698 -12.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.509 -2.241 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.975 -0.682 -11.324 1.00 0.00 H new ATOM 589 N SER A 44 -1.145 -2.307 -3.741 1.00 0.00 N ATOM 590 CA SER A 44 -0.273 -1.606 -2.783 1.00 0.00 C ATOM 591 C SER A 44 0.530 -2.586 -1.911 1.00 0.00 C ATOM 592 O SER A 44 1.726 -2.375 -1.704 1.00 0.00 O ATOM 593 CB SER A 44 -1.102 -0.654 -1.917 1.00 0.00 C ATOM 594 OG SER A 44 -2.112 -1.360 -1.223 1.00 0.00 O ATOM 0 H SER A 44 -2.140 -2.162 -3.571 1.00 0.00 H new ATOM 0 HA SER A 44 0.451 -1.024 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.453 -0.144 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.554 0.115 -2.544 1.00 0.00 H new ATOM 0 HG SER A 44 -2.243 -0.958 -0.339 1.00 0.00 H new ATOM 600 N LEU A 45 -0.066 -3.699 -1.472 1.00 0.00 N ATOM 601 CA LEU A 45 0.620 -4.802 -0.783 1.00 0.00 C ATOM 602 C LEU A 45 1.724 -5.435 -1.653 1.00 0.00 C ATOM 603 O LEU A 45 2.842 -5.648 -1.184 1.00 0.00 O ATOM 604 CB LEU A 45 -0.462 -5.789 -0.297 1.00 0.00 C ATOM 605 CG LEU A 45 -0.027 -7.081 0.428 1.00 0.00 C ATOM 606 CD1 LEU A 45 0.328 -8.208 -0.540 1.00 0.00 C ATOM 607 CD2 LEU A 45 1.123 -6.881 1.416 1.00 0.00 C ATOM 0 H LEU A 45 -1.066 -3.864 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 45 1.167 -4.438 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.127 -5.244 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.053 -6.082 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.908 -7.369 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.627 -9.092 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.540 -8.446 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.151 -7.891 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.370 -7.834 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.996 -6.500 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.824 -6.167 2.183 1.00 0.00 H new ATOM 619 N THR A 46 1.456 -5.635 -2.949 1.00 0.00 N ATOM 620 CA THR A 46 2.454 -6.125 -3.918 1.00 0.00 C ATOM 621 C THR A 46 3.653 -5.171 -4.038 1.00 0.00 C ATOM 622 O THR A 46 4.801 -5.622 -4.061 1.00 0.00 O ATOM 623 CB THR A 46 1.808 -6.387 -5.296 1.00 0.00 C ATOM 624 OG1 THR A 46 0.808 -7.386 -5.179 1.00 0.00 O ATOM 625 CG2 THR A 46 2.809 -6.899 -6.337 1.00 0.00 C ATOM 0 H THR A 46 0.539 -5.462 -3.360 1.00 0.00 H new ATOM 0 HA THR A 46 2.835 -7.073 -3.539 1.00 0.00 H new ATOM 0 HB THR A 46 1.404 -5.429 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.036 -7.022 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.296 -7.065 -7.284 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.599 -6.161 -6.476 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.245 -7.836 -5.992 1.00 0.00 H new ATOM 633 N GLU A 47 3.419 -3.854 -4.058 1.00 0.00 N ATOM 634 CA GLU A 47 4.494 -2.849 -4.077 1.00 0.00 C ATOM 635 C GLU A 47 5.317 -2.842 -2.773 1.00 0.00 C ATOM 636 O GLU A 47 6.541 -2.710 -2.835 1.00 0.00 O ATOM 637 CB GLU A 47 3.899 -1.465 -4.399 1.00 0.00 C ATOM 638 CG GLU A 47 4.909 -0.305 -4.525 1.00 0.00 C ATOM 639 CD GLU A 47 5.805 -0.336 -5.786 1.00 0.00 C ATOM 640 OE1 GLU A 47 6.388 0.725 -6.122 1.00 0.00 O ATOM 641 OE2 GLU A 47 5.920 -1.394 -6.450 1.00 0.00 O1- ATOM 0 H GLU A 47 2.481 -3.453 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 47 5.200 -3.116 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.343 -1.539 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.180 -1.211 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.358 0.636 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.551 -0.308 -3.644 1.00 0.00 H new ATOM 648 N ILE A 48 4.700 -3.061 -1.603 1.00 0.00 N ATOM 649 CA ILE A 48 5.441 -3.240 -0.338 1.00 0.00 C ATOM 650 C ILE A 48 6.386 -4.442 -0.436 1.00 0.00 C ATOM 651 O ILE A 48 7.586 -4.295 -0.208 1.00 0.00 O ATOM 652 CB ILE A 48 4.507 -3.366 0.892 1.00 0.00 C ATOM 653 CG1 ILE A 48 3.703 -2.069 1.121 1.00 0.00 C ATOM 654 CG2 ILE A 48 5.303 -3.719 2.175 1.00 0.00 C ATOM 655 CD1 ILE A 48 2.498 -2.256 2.049 1.00 0.00 C ATOM 0 H ILE A 48 3.687 -3.119 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 48 6.032 -2.337 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 48 3.811 -4.178 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.363 -1.311 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.356 -1.691 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.617 -3.800 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.818 -4.669 2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.035 -2.936 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.978 -1.305 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.818 -2.991 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.840 -2.605 3.023 1.00 0.00 H new ATOM 667 N LYS A 49 5.877 -5.619 -0.831 1.00 0.00 N ATOM 668 CA LYS A 49 6.687 -6.845 -0.995 1.00 0.00 C ATOM 669 C LYS A 49 7.854 -6.651 -1.974 1.00 0.00 C ATOM 670 O LYS A 49 8.982 -7.040 -1.664 1.00 0.00 O ATOM 671 CB LYS A 49 5.786 -8.011 -1.443 1.00 0.00 C ATOM 672 CG LYS A 49 4.890 -8.526 -0.307 1.00 0.00 C ATOM 673 CD LYS A 49 3.969 -9.648 -0.806 1.00 0.00 C ATOM 674 CE LYS A 49 3.106 -10.252 0.311 1.00 0.00 C ATOM 675 NZ LYS A 49 3.875 -11.152 1.205 1.00 0.00 N1+ ATOM 0 H LYS A 49 4.889 -5.752 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 49 7.129 -7.080 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.162 -7.686 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.408 -8.827 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.508 -8.894 0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.291 -7.707 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.320 -9.257 -1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.574 -10.435 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.668 -9.447 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.280 -10.807 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.220 -11.782 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.536 -11.722 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.409 -10.584 1.893 1.00 0.00 H new ATOM 689 N ARG A 50 7.600 -5.992 -3.116 1.00 0.00 N ATOM 690 CA ARG A 50 8.605 -5.642 -4.138 1.00 0.00 C ATOM 691 C ARG A 50 9.738 -4.780 -3.563 1.00 0.00 C ATOM 692 O ARG A 50 10.909 -5.131 -3.718 1.00 0.00 O ATOM 693 CB ARG A 50 7.892 -4.951 -5.315 1.00 0.00 C ATOM 694 CG ARG A 50 8.820 -4.627 -6.500 1.00 0.00 C ATOM 695 CD ARG A 50 8.068 -3.921 -7.639 1.00 0.00 C ATOM 696 NE ARG A 50 7.072 -4.806 -8.279 1.00 0.00 N ATOM 697 CZ ARG A 50 5.768 -4.621 -8.399 1.00 0.00 C ATOM 698 NH1 ARG A 50 5.135 -3.587 -7.920 1.00 0.00 N1+ ATOM 699 NH2 ARG A 50 5.048 -5.500 -9.037 1.00 0.00 N ATOM 0 H ARG A 50 6.662 -5.678 -3.363 1.00 0.00 H new ATOM 0 HA ARG A 50 9.084 -6.554 -4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.083 -5.592 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.436 -4.027 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.638 -3.994 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.265 -5.548 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.567 -3.035 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.783 -3.579 -8.388 1.00 0.00 H new ATOM 0 HE ARG A 50 7.437 -5.670 -8.679 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.648 -2.862 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.126 -3.503 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.491 -6.326 -9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.042 -5.362 -9.133 1.00 0.00 H new ATOM 713 N LEU A 51 9.408 -3.676 -2.890 1.00 0.00 N ATOM 714 CA LEU A 51 10.401 -2.731 -2.359 1.00 0.00 C ATOM 715 C LEU A 51 11.140 -3.274 -1.131 1.00 0.00 C ATOM 716 O LEU A 51 12.335 -3.012 -0.998 1.00 0.00 O ATOM 717 CB LEU A 51 9.737 -1.368 -2.074 1.00 0.00 C ATOM 718 CG LEU A 51 9.720 -0.379 -3.253 1.00 0.00 C ATOM 719 CD1 LEU A 51 11.125 0.133 -3.576 1.00 0.00 C ATOM 720 CD2 LEU A 51 9.125 -0.957 -4.539 1.00 0.00 C ATOM 0 H LEU A 51 8.443 -3.409 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 51 11.165 -2.592 -3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.710 -1.544 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.255 -0.899 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 51 9.079 0.435 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.075 0.829 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.536 0.643 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.767 -0.707 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.148 -0.200 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.708 -1.823 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.094 -1.261 -4.358 1.00 0.00 H new ATOM 732 N LYS A 52 10.488 -4.060 -0.265 1.00 0.00 N ATOM 733 CA LYS A 52 11.151 -4.750 0.861 1.00 0.00 C ATOM 734 C LYS A 52 12.216 -5.739 0.375 1.00 0.00 C ATOM 735 O LYS A 52 13.336 -5.728 0.888 1.00 0.00 O ATOM 736 CB LYS A 52 10.116 -5.448 1.757 1.00 0.00 C ATOM 737 CG LYS A 52 9.309 -4.444 2.601 1.00 0.00 C ATOM 738 CD LYS A 52 8.293 -5.127 3.519 1.00 0.00 C ATOM 739 CE LYS A 52 9.003 -5.833 4.675 1.00 0.00 C ATOM 740 NZ LYS A 52 8.041 -6.508 5.577 1.00 0.00 N1+ ATOM 0 H LYS A 52 9.485 -4.239 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 52 11.663 -3.993 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.434 -6.030 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.624 -6.150 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.995 -3.849 3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.787 -3.755 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.594 -4.388 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.707 -5.849 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.705 -6.566 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.586 -5.107 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.561 -7.018 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.419 -5.799 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.467 -7.182 5.031 1.00 0.00 H new ATOM 754 N ALA A 53 11.911 -6.537 -0.652 1.00 0.00 N ATOM 755 CA ALA A 53 12.861 -7.463 -1.270 1.00 0.00 C ATOM 756 C ALA A 53 14.048 -6.729 -1.938 1.00 0.00 C ATOM 757 O ALA A 53 15.204 -7.108 -1.722 1.00 0.00 O ATOM 758 CB ALA A 53 12.103 -8.342 -2.275 1.00 0.00 C ATOM 0 H ALA A 53 10.986 -6.558 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 53 13.301 -8.088 -0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.797 -9.039 -2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.325 -8.901 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.648 -7.712 -3.039 1.00 0.00 H new ATOM 764 N ALA A 54 13.783 -5.654 -2.691 1.00 0.00 N ATOM 765 CA ALA A 54 14.816 -4.837 -3.333 1.00 0.00 C ATOM 766 C ALA A 54 15.753 -4.171 -2.304 1.00 0.00 C ATOM 767 O ALA A 54 16.977 -4.255 -2.433 1.00 0.00 O ATOM 768 CB ALA A 54 14.130 -3.795 -4.223 1.00 0.00 C ATOM 0 H ALA A 54 12.835 -5.325 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 54 15.450 -5.481 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.885 -3.178 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.532 -4.301 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.484 -3.164 -3.613 1.00 0.00 H new ATOM 774 N ASN A 55 15.187 -3.559 -1.256 1.00 0.00 N ATOM 775 CA ASN A 55 15.910 -2.935 -0.144 1.00 0.00 C ATOM 776 C ASN A 55 16.804 -3.952 0.593 1.00 0.00 C ATOM 777 O ASN A 55 17.993 -3.698 0.792 1.00 0.00 O ATOM 778 CB ASN A 55 14.868 -2.270 0.778 1.00 0.00 C ATOM 779 CG ASN A 55 15.446 -1.514 1.969 1.00 0.00 C ATOM 780 OD1 ASN A 55 16.277 -1.999 2.722 1.00 0.00 O ATOM 781 ND2 ASN A 55 14.999 -0.301 2.204 1.00 0.00 N ATOM 0 H ASN A 55 14.175 -3.483 -1.157 1.00 0.00 H new ATOM 0 HA ASN A 55 16.596 -2.173 -0.514 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.270 -1.579 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.191 -3.039 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.346 0.224 3.007 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.305 0.116 1.583 1.00 0.00 H new ATOM 1054 N PRO B 110 -10.476 -14.018 0.473 1.00 0.00 N ATOM 1055 CA PRO B 110 -11.316 -13.065 1.201 1.00 0.00 C ATOM 1056 C PRO B 110 -10.545 -11.798 1.611 1.00 0.00 C ATOM 1057 O PRO B 110 -9.329 -11.819 1.799 1.00 0.00 O ATOM 1058 CB PRO B 110 -11.865 -13.838 2.408 1.00 0.00 C ATOM 1059 CG PRO B 110 -10.816 -14.918 2.647 1.00 0.00 C ATOM 1060 CD PRO B 110 -10.359 -15.260 1.228 1.00 0.00 C ATOM 0 HA PRO B 110 -12.125 -12.691 0.574 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -11.982 -13.192 3.278 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -12.844 -14.269 2.197 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -9.992 -14.554 3.261 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -11.236 -15.785 3.158 1.00 0.00 H new ATOM 0 HD2 PRO B 110 -9.333 -15.627 1.224 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -10.980 -16.044 0.794 1.00 0.00 H new ATOM 1068 N ILE B 111 -11.254 -10.681 1.775 1.00 0.00 N ATOM 1069 CA ILE B 111 -10.623 -9.365 1.988 1.00 0.00 C ATOM 1070 C ILE B 111 -9.868 -9.245 3.326 1.00 0.00 C ATOM 1071 O ILE B 111 -8.893 -8.501 3.423 1.00 0.00 O ATOM 1072 CB ILE B 111 -11.662 -8.248 1.786 1.00 0.00 C ATOM 1073 CG1 ILE B 111 -10.946 -6.895 1.607 1.00 0.00 C ATOM 1074 CG2 ILE B 111 -12.708 -8.183 2.916 1.00 0.00 C ATOM 1075 CD1 ILE B 111 -11.834 -5.855 0.929 1.00 0.00 C ATOM 0 H ILE B 111 -12.274 -10.655 1.765 1.00 0.00 H new ATOM 0 HA ILE B 111 -9.843 -9.252 1.235 1.00 0.00 H new ATOM 0 HB ILE B 111 -12.220 -8.483 0.880 1.00 0.00 H new ATOM 0 HG12 ILE B 111 -10.631 -6.521 2.581 1.00 0.00 H new ATOM 0 HG13 ILE B 111 -10.043 -7.040 1.014 1.00 0.00 H new ATOM 0 HG21 ILE B 111 -13.412 -7.375 2.715 1.00 0.00 H new ATOM 0 HG22 ILE B 111 -13.247 -9.129 2.968 1.00 0.00 H new ATOM 0 HG23 ILE B 111 -12.206 -7.999 3.866 1.00 0.00 H new ATOM 0 HD11 ILE B 111 -11.285 -4.919 0.826 1.00 0.00 H new ATOM 0 HD12 ILE B 111 -12.127 -6.214 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE B 111 -12.725 -5.688 1.534 1.00 0.00 H new ATOM 1087 N ASP B 112 -10.249 -10.035 4.334 1.00 0.00 N ATOM 1088 CA ASP B 112 -9.490 -10.155 5.582 1.00 0.00 C ATOM 1089 C ASP B 112 -8.103 -10.799 5.361 1.00 0.00 C ATOM 1090 O ASP B 112 -7.167 -10.476 6.084 1.00 0.00 O ATOM 1091 CB ASP B 112 -10.314 -10.963 6.598 1.00 0.00 C ATOM 1092 CG ASP B 112 -9.729 -10.983 8.023 1.00 0.00 C ATOM 1093 OD1 ASP B 112 -9.985 -11.971 8.754 1.00 0.00 O ATOM 1094 OD2 ASP B 112 -9.055 -10.013 8.451 1.00 0.00 O1- ATOM 0 H ASP B 112 -11.092 -10.609 4.308 1.00 0.00 H new ATOM 0 HA ASP B 112 -9.308 -9.153 5.971 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.322 -10.551 6.639 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -10.403 -11.989 6.241 1.00 0.00 H new ATOM 1099 N GLU B 113 -7.920 -11.654 4.350 1.00 0.00 N ATOM 1100 CA GLU B 113 -6.633 -12.300 4.058 1.00 0.00 C ATOM 1101 C GLU B 113 -5.617 -11.334 3.429 1.00 0.00 C ATOM 1102 O GLU B 113 -4.494 -11.231 3.924 1.00 0.00 O ATOM 1103 CB GLU B 113 -6.881 -13.552 3.196 1.00 0.00 C ATOM 1104 CG GLU B 113 -5.635 -14.392 2.890 1.00 0.00 C ATOM 1105 CD GLU B 113 -5.053 -15.177 4.085 1.00 0.00 C ATOM 1106 OE1 GLU B 113 -4.021 -15.865 3.895 1.00 0.00 O ATOM 1107 OE2 GLU B 113 -5.621 -15.153 5.205 1.00 0.00 O1- ATOM 0 H GLU B 113 -8.665 -11.920 3.706 1.00 0.00 H new ATOM 0 HA GLU B 113 -6.175 -12.611 4.997 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -7.610 -14.184 3.703 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -7.330 -13.241 2.253 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -5.881 -15.099 2.098 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -4.860 -13.732 2.499 1.00 0.00 H new ATOM 1114 N LEU B 114 -5.989 -10.561 2.399 1.00 0.00 N ATOM 1115 CA LEU B 114 -5.092 -9.534 1.836 1.00 0.00 C ATOM 1116 C LEU B 114 -4.840 -8.374 2.820 1.00 0.00 C ATOM 1117 O LEU B 114 -3.721 -7.861 2.903 1.00 0.00 O ATOM 1118 CB LEU B 114 -5.577 -9.054 0.453 1.00 0.00 C ATOM 1119 CG LEU B 114 -6.967 -8.384 0.398 1.00 0.00 C ATOM 1120 CD1 LEU B 114 -6.870 -6.863 0.460 1.00 0.00 C ATOM 1121 CD2 LEU B 114 -7.684 -8.739 -0.901 1.00 0.00 C ATOM 0 H LEU B 114 -6.897 -10.624 1.939 1.00 0.00 H new ATOM 0 HA LEU B 114 -4.121 -10.004 1.679 1.00 0.00 H new ATOM 0 HB2 LEU B 114 -4.844 -8.349 0.062 1.00 0.00 H new ATOM 0 HB3 LEU B 114 -5.586 -9.911 -0.220 1.00 0.00 H new ATOM 0 HG LEU B 114 -7.518 -8.753 1.263 1.00 0.00 H new ATOM 0 HD11 LEU B 114 -7.871 -6.433 0.418 1.00 0.00 H new ATOM 0 HD12 LEU B 114 -6.386 -6.567 1.391 1.00 0.00 H new ATOM 0 HD13 LEU B 114 -6.284 -6.501 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU B 114 -8.662 -8.257 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU B 114 -7.093 -8.394 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU B 114 -7.811 -9.820 -0.963 1.00 0.00 H new ATOM 1133 N SER B 115 -5.844 -8.018 3.631 1.00 0.00 N ATOM 1134 CA SER B 115 -5.693 -7.090 4.760 1.00 0.00 C ATOM 1135 C SER B 115 -4.735 -7.628 5.840 1.00 0.00 C ATOM 1136 O SER B 115 -3.878 -6.893 6.332 1.00 0.00 O ATOM 1137 CB SER B 115 -7.072 -6.796 5.350 1.00 0.00 C ATOM 1138 OG SER B 115 -6.977 -5.946 6.479 1.00 0.00 O ATOM 0 H SER B 115 -6.795 -8.370 3.521 1.00 0.00 H new ATOM 0 HA SER B 115 -5.245 -6.169 4.388 1.00 0.00 H new ATOM 0 HB2 SER B 115 -7.702 -6.330 4.593 1.00 0.00 H new ATOM 0 HB3 SER B 115 -7.555 -7.731 5.635 1.00 0.00 H new ATOM 0 HG SER B 115 -7.874 -5.773 6.835 1.00 0.00 H new ATOM 1144 N ALA B 116 -4.810 -8.920 6.182 1.00 0.00 N ATOM 1145 CA ALA B 116 -3.873 -9.559 7.110 1.00 0.00 C ATOM 1146 C ALA B 116 -2.446 -9.655 6.545 1.00 0.00 C ATOM 1147 O ALA B 116 -1.489 -9.533 7.306 1.00 0.00 O ATOM 1148 CB ALA B 116 -4.409 -10.939 7.510 1.00 0.00 C ATOM 0 H ALA B 116 -5.525 -9.552 5.821 1.00 0.00 H new ATOM 0 HA ALA B 116 -3.800 -8.929 7.996 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -3.712 -11.414 8.200 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -5.379 -10.826 7.994 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.518 -11.559 6.620 1.00 0.00 H new ATOM 1154 N LEU B 117 -2.278 -9.802 5.223 1.00 0.00 N ATOM 1155 CA LEU B 117 -0.972 -9.761 4.560 1.00 0.00 C ATOM 1156 C LEU B 117 -0.325 -8.367 4.650 1.00 0.00 C ATOM 1157 O LEU B 117 0.842 -8.287 5.033 1.00 0.00 O ATOM 1158 CB LEU B 117 -1.111 -10.237 3.098 1.00 0.00 C ATOM 1159 CG LEU B 117 -0.677 -11.701 2.873 1.00 0.00 C ATOM 1160 CD1 LEU B 117 -1.348 -12.724 3.794 1.00 0.00 C ATOM 1161 CD2 LEU B 117 -0.996 -12.092 1.427 1.00 0.00 C ATOM 0 H LEU B 117 -3.055 -9.954 4.580 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.300 -10.442 5.082 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -2.150 -10.124 2.787 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -0.514 -9.589 2.457 1.00 0.00 H new ATOM 0 HG LEU B 117 0.389 -11.730 3.099 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.979 -13.722 3.559 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.116 -12.486 4.832 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -2.428 -12.693 3.647 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -0.694 -13.125 1.254 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -2.067 -11.993 1.251 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -0.454 -11.437 0.745 1.00 0.00 H new ATOM 1173 N LEU B 118 -1.043 -7.270 4.377 1.00 0.00 N ATOM 1174 CA LEU B 118 -0.471 -5.923 4.560 1.00 0.00 C ATOM 1175 C LEU B 118 -0.240 -5.568 6.034 1.00 0.00 C ATOM 1176 O LEU B 118 0.766 -4.928 6.342 1.00 0.00 O ATOM 1177 CB LEU B 118 -1.242 -4.866 3.743 1.00 0.00 C ATOM 1178 CG LEU B 118 -2.716 -4.631 4.115 1.00 0.00 C ATOM 1179 CD1 LEU B 118 -2.914 -3.600 5.230 1.00 0.00 C ATOM 1180 CD2 LEU B 118 -3.498 -4.129 2.910 1.00 0.00 C ATOM 0 H LEU B 118 -2.004 -7.283 4.035 1.00 0.00 H new ATOM 0 HA LEU B 118 0.535 -5.928 4.140 1.00 0.00 H new ATOM 0 HB2 LEU B 118 -0.714 -3.917 3.835 1.00 0.00 H new ATOM 0 HB3 LEU B 118 -1.200 -5.154 2.692 1.00 0.00 H new ATOM 0 HG LEU B 118 -3.075 -5.600 4.463 1.00 0.00 H new ATOM 0 HD11 LEU B 118 -3.978 -3.488 5.437 1.00 0.00 H new ATOM 0 HD12 LEU B 118 -2.402 -3.936 6.132 1.00 0.00 H new ATOM 0 HD13 LEU B 118 -2.503 -2.641 4.916 1.00 0.00 H new ATOM 0 HD21 LEU B 118 -4.538 -3.969 3.193 1.00 0.00 H new ATOM 0 HD22 LEU B 118 -3.067 -3.190 2.562 1.00 0.00 H new ATOM 0 HD23 LEU B 118 -3.449 -4.868 2.111 1.00 0.00 H new ATOM 1192 N ARG B 119 -1.078 -6.056 6.965 1.00 0.00 N ATOM 1193 CA ARG B 119 -0.827 -5.952 8.416 1.00 0.00 C ATOM 1194 C ARG B 119 0.459 -6.685 8.811 1.00 0.00 C ATOM 1195 O ARG B 119 1.291 -6.103 9.504 1.00 0.00 O ATOM 1196 CB ARG B 119 -2.036 -6.496 9.208 1.00 0.00 C ATOM 1197 CG ARG B 119 -3.199 -5.495 9.281 1.00 0.00 C ATOM 1198 CD ARG B 119 -4.418 -6.080 10.017 1.00 0.00 C ATOM 1199 NE ARG B 119 -5.408 -6.679 9.100 1.00 0.00 N ATOM 1200 CZ ARG B 119 -6.192 -7.724 9.309 1.00 0.00 C ATOM 1201 NH1 ARG B 119 -6.082 -8.520 10.331 1.00 0.00 N1+ ATOM 1202 NH2 ARG B 119 -7.129 -7.982 8.457 1.00 0.00 N ATOM 0 H ARG B 119 -1.949 -6.534 6.734 1.00 0.00 H new ATOM 0 HA ARG B 119 -0.694 -4.899 8.664 1.00 0.00 H new ATOM 0 HB2 ARG B 119 -2.385 -7.418 8.742 1.00 0.00 H new ATOM 0 HB3 ARG B 119 -1.718 -6.750 10.219 1.00 0.00 H new ATOM 0 HG2 ARG B 119 -2.867 -4.591 9.791 1.00 0.00 H new ATOM 0 HG3 ARG B 119 -3.490 -5.203 8.272 1.00 0.00 H new ATOM 0 HD2 ARG B 119 -4.080 -6.837 10.724 1.00 0.00 H new ATOM 0 HD3 ARG B 119 -4.898 -5.293 10.598 1.00 0.00 H new ATOM 0 HE ARG B 119 -5.499 -6.230 8.189 1.00 0.00 H new ATOM 0 HH11 ARG B 119 -5.358 -8.355 11.030 1.00 0.00 H new ATOM 0 HH12 ARG B 119 -6.720 -9.309 10.434 1.00 0.00 H new ATOM 0 HH21 ARG B 119 -7.254 -7.384 7.640 1.00 0.00 H new ATOM 0 HH22 ARG B 119 -7.743 -8.783 8.602 1.00 0.00 H new ATOM 1216 N GLN B 120 0.658 -7.913 8.334 1.00 0.00 N ATOM 1217 CA GLN B 120 1.841 -8.733 8.583 1.00 0.00 C ATOM 1218 C GLN B 120 3.125 -8.141 7.974 1.00 0.00 C ATOM 1219 O GLN B 120 4.158 -8.111 8.641 1.00 0.00 O ATOM 1220 CB GLN B 120 1.523 -10.140 8.059 1.00 0.00 C ATOM 1221 CG GLN B 120 2.676 -11.136 8.238 1.00 0.00 C ATOM 1222 CD GLN B 120 2.356 -12.585 7.847 1.00 0.00 C ATOM 1223 OE1 GLN B 120 3.238 -13.436 7.805 1.00 0.00 O ATOM 1224 NE2 GLN B 120 1.126 -12.947 7.537 1.00 0.00 N ATOM 0 H GLN B 120 -0.027 -8.381 7.741 1.00 0.00 H new ATOM 0 HA GLN B 120 2.056 -8.767 9.651 1.00 0.00 H new ATOM 0 HB2 GLN B 120 0.642 -10.520 8.575 1.00 0.00 H new ATOM 0 HB3 GLN B 120 1.270 -10.076 7.001 1.00 0.00 H new ATOM 0 HG2 GLN B 120 3.524 -10.795 7.644 1.00 0.00 H new ATOM 0 HG3 GLN B 120 2.990 -11.119 9.282 1.00 0.00 H new ATOM 0 HE21 GLN B 120 0.371 -12.262 7.563 1.00 0.00 H new ATOM 0 HE22 GLN B 120 0.930 -13.912 7.272 1.00 0.00 H new ATOM 1233 N GLU B 121 3.077 -7.610 6.746 1.00 0.00 N ATOM 1234 CA GLU B 121 4.223 -6.945 6.101 1.00 0.00 C ATOM 1235 C GLU B 121 4.621 -5.627 6.791 1.00 0.00 C ATOM 1236 O GLU B 121 5.812 -5.319 6.872 1.00 0.00 O ATOM 1237 CB GLU B 121 3.944 -6.694 4.607 1.00 0.00 C ATOM 1238 CG GLU B 121 3.971 -7.956 3.725 1.00 0.00 C ATOM 1239 CD GLU B 121 5.328 -8.678 3.661 1.00 0.00 C ATOM 1240 OE1 GLU B 121 6.363 -8.135 4.115 1.00 0.00 O ATOM 1241 OE2 GLU B 121 5.362 -9.813 3.123 1.00 0.00 O1- ATOM 0 H GLU B 121 2.238 -7.628 6.166 1.00 0.00 H new ATOM 0 HA GLU B 121 5.066 -7.628 6.202 1.00 0.00 H new ATOM 0 HB2 GLU B 121 2.968 -6.220 4.509 1.00 0.00 H new ATOM 0 HB3 GLU B 121 4.682 -5.987 4.228 1.00 0.00 H new ATOM 0 HG2 GLU B 121 3.222 -8.656 4.096 1.00 0.00 H new ATOM 0 HG3 GLU B 121 3.676 -7.679 2.713 1.00 0.00 H new ATOM 1248 N MET B 122 3.654 -4.877 7.332 1.00 0.00 N ATOM 1249 CA MET B 122 3.903 -3.688 8.169 1.00 0.00 C ATOM 1250 C MET B 122 4.294 -4.025 9.624 1.00 0.00 C ATOM 1251 O MET B 122 4.742 -3.139 10.357 1.00 0.00 O ATOM 1252 CB MET B 122 2.662 -2.773 8.149 1.00 0.00 C ATOM 1253 CG MET B 122 2.499 -2.080 6.793 1.00 0.00 C ATOM 1254 SD MET B 122 1.208 -0.802 6.721 1.00 0.00 S ATOM 1255 CE MET B 122 -0.293 -1.813 6.640 1.00 0.00 C ATOM 0 H MET B 122 2.662 -5.078 7.202 1.00 0.00 H new ATOM 0 HA MET B 122 4.762 -3.174 7.737 1.00 0.00 H new ATOM 0 HB2 MET B 122 1.771 -3.361 8.368 1.00 0.00 H new ATOM 0 HB3 MET B 122 2.749 -2.022 8.935 1.00 0.00 H new ATOM 0 HG2 MET B 122 3.451 -1.626 6.519 1.00 0.00 H new ATOM 0 HG3 MET B 122 2.279 -2.838 6.041 1.00 0.00 H new ATOM 0 HE1 MET B 122 -1.113 -1.215 6.242 1.00 0.00 H new ATOM 0 HE2 MET B 122 -0.120 -2.670 5.989 1.00 0.00 H new ATOM 0 HE3 MET B 122 -0.550 -2.163 7.640 1.00 0.00 H new ATOM 1349 N SER B 133 -17.561 0.176 3.981 1.00 0.00 N ATOM 1350 CA SER B 133 -17.825 1.623 4.091 1.00 0.00 C ATOM 1351 C SER B 133 -16.612 2.444 3.629 1.00 0.00 C ATOM 1352 O SER B 133 -15.468 1.992 3.763 1.00 0.00 O ATOM 1353 CB SER B 133 -18.192 2.012 5.531 1.00 0.00 C ATOM 1354 OG SER B 133 -19.359 1.331 5.958 1.00 0.00 O ATOM 0 HA SER B 133 -18.670 1.847 3.440 1.00 0.00 H new ATOM 0 HB2 SER B 133 -17.363 1.775 6.198 1.00 0.00 H new ATOM 0 HB3 SER B 133 -18.352 3.089 5.591 1.00 0.00 H new ATOM 0 HG SER B 133 -19.469 0.511 5.434 1.00 0.00 H new ATOM 1360 N MET B 134 -16.830 3.666 3.134 1.00 0.00 N ATOM 1361 CA MET B 134 -15.751 4.533 2.609 1.00 0.00 C ATOM 1362 C MET B 134 -14.638 4.831 3.627 1.00 0.00 C ATOM 1363 O MET B 134 -13.465 4.903 3.251 1.00 0.00 O ATOM 1364 CB MET B 134 -16.345 5.832 2.047 1.00 0.00 C ATOM 1365 CG MET B 134 -16.821 5.640 0.607 1.00 0.00 C ATOM 1366 SD MET B 134 -15.466 5.562 -0.603 1.00 0.00 S ATOM 1367 CE MET B 134 -15.822 3.969 -1.389 1.00 0.00 C ATOM 0 H MET B 134 -17.757 4.089 3.082 1.00 0.00 H new ATOM 0 HA MET B 134 -15.268 3.973 1.808 1.00 0.00 H new ATOM 0 HB2 MET B 134 -17.180 6.153 2.670 1.00 0.00 H new ATOM 0 HB3 MET B 134 -15.597 6.624 2.084 1.00 0.00 H new ATOM 0 HG2 MET B 134 -17.405 4.722 0.546 1.00 0.00 H new ATOM 0 HG3 MET B 134 -17.488 6.460 0.341 1.00 0.00 H new ATOM 0 HE1 MET B 134 -15.078 3.770 -2.160 1.00 0.00 H new ATOM 0 HE2 MET B 134 -15.789 3.178 -0.640 1.00 0.00 H new ATOM 0 HE3 MET B 134 -16.814 4.000 -1.840 1.00 0.00 H new ATOM 1377 N GLN B 135 -14.956 4.929 4.917 1.00 0.00 N ATOM 1378 CA GLN B 135 -13.944 5.114 5.968 1.00 0.00 C ATOM 1379 C GLN B 135 -13.037 3.884 6.166 1.00 0.00 C ATOM 1380 O GLN B 135 -11.901 4.040 6.610 1.00 0.00 O ATOM 1381 CB GLN B 135 -14.616 5.541 7.280 1.00 0.00 C ATOM 1382 CG GLN B 135 -15.504 4.459 7.916 1.00 0.00 C ATOM 1383 CD GLN B 135 -16.252 4.985 9.143 1.00 0.00 C ATOM 1384 OE1 GLN B 135 -15.671 5.409 10.137 1.00 0.00 O ATOM 1385 NE2 GLN B 135 -17.570 4.978 9.131 1.00 0.00 N ATOM 0 H GLN B 135 -15.913 4.883 5.266 1.00 0.00 H new ATOM 0 HA GLN B 135 -13.280 5.912 5.636 1.00 0.00 H new ATOM 0 HB2 GLN B 135 -13.844 5.827 7.994 1.00 0.00 H new ATOM 0 HB3 GLN B 135 -15.221 6.428 7.093 1.00 0.00 H new ATOM 0 HG2 GLN B 135 -16.222 4.099 7.179 1.00 0.00 H new ATOM 0 HG3 GLN B 135 -14.888 3.607 8.204 1.00 0.00 H new ATOM 0 HE21 GLN B 135 -18.071 4.629 8.314 1.00 0.00 H new ATOM 0 HE22 GLN B 135 -18.089 5.321 9.939 1.00 0.00 H new ATOM 1394 N ASP B 136 -13.492 2.670 5.836 1.00 0.00 N ATOM 1395 CA ASP B 136 -12.699 1.437 5.967 1.00 0.00 C ATOM 1396 C ASP B 136 -11.645 1.342 4.852 1.00 0.00 C ATOM 1397 O ASP B 136 -10.454 1.154 5.113 1.00 0.00 O ATOM 1398 CB ASP B 136 -13.611 0.195 5.944 1.00 0.00 C ATOM 1399 CG ASP B 136 -14.743 0.205 6.987 1.00 0.00 C ATOM 1400 OD1 ASP B 136 -15.811 -0.384 6.699 1.00 0.00 O ATOM 1401 OD2 ASP B 136 -14.578 0.764 8.101 1.00 0.00 O1- ATOM 0 H ASP B 136 -14.430 2.512 5.467 1.00 0.00 H new ATOM 0 HA ASP B 136 -12.184 1.472 6.927 1.00 0.00 H new ATOM 0 HB2 ASP B 136 -14.052 0.104 4.951 1.00 0.00 H new ATOM 0 HB3 ASP B 136 -12.997 -0.692 6.103 1.00 0.00 H new ATOM 1406 N ILE B 137 -12.078 1.539 3.604 1.00 0.00 N ATOM 1407 CA ILE B 137 -11.222 1.515 2.408 1.00 0.00 C ATOM 1408 C ILE B 137 -10.194 2.653 2.423 1.00 0.00 C ATOM 1409 O ILE B 137 -9.026 2.398 2.133 1.00 0.00 O ATOM 1410 CB ILE B 137 -12.072 1.484 1.112 1.00 0.00 C ATOM 1411 CG1 ILE B 137 -11.174 1.497 -0.148 1.00 0.00 C ATOM 1412 CG2 ILE B 137 -13.116 2.606 1.055 1.00 0.00 C ATOM 1413 CD1 ILE B 137 -11.937 1.191 -1.447 1.00 0.00 C ATOM 0 H ILE B 137 -13.058 1.724 3.389 1.00 0.00 H new ATOM 0 HA ILE B 137 -10.646 0.590 2.425 1.00 0.00 H new ATOM 0 HB ILE B 137 -12.625 0.545 1.131 1.00 0.00 H new ATOM 0 HG12 ILE B 137 -10.699 2.474 -0.236 1.00 0.00 H new ATOM 0 HG13 ILE B 137 -10.376 0.765 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE B 137 -13.679 2.532 0.125 1.00 0.00 H new ATOM 0 HG22 ILE B 137 -13.797 2.512 1.901 1.00 0.00 H new ATOM 0 HG23 ILE B 137 -12.614 3.573 1.099 1.00 0.00 H new ATOM 0 HD11 ILE B 137 -11.246 1.217 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE B 137 -12.389 0.202 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE B 137 -12.718 1.937 -1.595 1.00 0.00 H new ATOM 1425 N GLN B 138 -10.573 3.877 2.828 1.00 0.00 N ATOM 1426 CA GLN B 138 -9.624 4.990 2.957 1.00 0.00 C ATOM 1427 C GLN B 138 -8.496 4.667 3.949 1.00 0.00 C ATOM 1428 O GLN B 138 -7.329 4.883 3.620 1.00 0.00 O ATOM 1429 CB GLN B 138 -10.346 6.283 3.390 1.00 0.00 C ATOM 1430 CG GLN B 138 -11.080 6.982 2.232 1.00 0.00 C ATOM 1431 CD GLN B 138 -11.659 8.329 2.661 1.00 0.00 C ATOM 1432 OE1 GLN B 138 -12.859 8.488 2.849 1.00 0.00 O ATOM 1433 NE2 GLN B 138 -10.840 9.344 2.856 1.00 0.00 N ATOM 0 H GLN B 138 -11.534 4.119 3.072 1.00 0.00 H new ATOM 0 HA GLN B 138 -9.178 5.143 1.974 1.00 0.00 H new ATOM 0 HB2 GLN B 138 -11.063 6.046 4.176 1.00 0.00 H new ATOM 0 HB3 GLN B 138 -9.618 6.972 3.819 1.00 0.00 H new ATOM 0 HG2 GLN B 138 -10.390 7.130 1.401 1.00 0.00 H new ATOM 0 HG3 GLN B 138 -11.883 6.340 1.869 1.00 0.00 H new ATOM 0 HE21 GLN B 138 -9.838 9.227 2.704 1.00 0.00 H new ATOM 0 HE22 GLN B 138 -11.208 10.246 3.159 1.00 0.00 H new ATOM 1442 N GLN B 139 -8.815 4.129 5.133 1.00 0.00 N ATOM 1443 CA GLN B 139 -7.812 3.808 6.162 1.00 0.00 C ATOM 1444 C GLN B 139 -6.854 2.688 5.732 1.00 0.00 C ATOM 1445 O GLN B 139 -5.639 2.876 5.775 1.00 0.00 O ATOM 1446 CB GLN B 139 -8.505 3.449 7.486 1.00 0.00 C ATOM 1447 CG GLN B 139 -9.056 4.694 8.189 1.00 0.00 C ATOM 1448 CD GLN B 139 -9.820 4.329 9.455 1.00 0.00 C ATOM 1449 OE1 GLN B 139 -9.319 4.405 10.571 1.00 0.00 O ATOM 1450 NE2 GLN B 139 -11.060 3.907 9.340 1.00 0.00 N ATOM 0 H GLN B 139 -9.772 3.904 5.406 1.00 0.00 H new ATOM 0 HA GLN B 139 -7.203 4.701 6.303 1.00 0.00 H new ATOM 0 HB2 GLN B 139 -9.318 2.749 7.294 1.00 0.00 H new ATOM 0 HB3 GLN B 139 -7.797 2.943 8.142 1.00 0.00 H new ATOM 0 HG2 GLN B 139 -8.234 5.365 8.440 1.00 0.00 H new ATOM 0 HG3 GLN B 139 -9.714 5.236 7.509 1.00 0.00 H new ATOM 0 HE21 GLN B 139 -11.492 3.838 8.419 1.00 0.00 H new ATOM 0 HE22 GLN B 139 -11.590 3.649 10.172 1.00 0.00 H new ATOM 1459 N LEU B 140 -7.369 1.540 5.269 1.00 0.00 N ATOM 1460 CA LEU B 140 -6.532 0.399 4.858 1.00 0.00 C ATOM 1461 C LEU B 140 -5.606 0.742 3.682 1.00 0.00 C ATOM 1462 O LEU B 140 -4.418 0.404 3.686 1.00 0.00 O ATOM 1463 CB LEU B 140 -7.434 -0.789 4.475 1.00 0.00 C ATOM 1464 CG LEU B 140 -8.196 -1.433 5.645 1.00 0.00 C ATOM 1465 CD1 LEU B 140 -9.129 -2.513 5.109 1.00 0.00 C ATOM 1466 CD2 LEU B 140 -7.250 -2.078 6.665 1.00 0.00 C ATOM 0 H LEU B 140 -8.370 1.375 5.169 1.00 0.00 H new ATOM 0 HA LEU B 140 -5.898 0.138 5.705 1.00 0.00 H new ATOM 0 HB2 LEU B 140 -8.157 -0.452 3.733 1.00 0.00 H new ATOM 0 HB3 LEU B 140 -6.820 -1.552 3.998 1.00 0.00 H new ATOM 0 HG LEU B 140 -8.754 -0.641 6.144 1.00 0.00 H new ATOM 0 HD11 LEU B 140 -9.670 -2.970 5.937 1.00 0.00 H new ATOM 0 HD12 LEU B 140 -9.840 -2.067 4.413 1.00 0.00 H new ATOM 0 HD13 LEU B 140 -8.545 -3.275 4.592 1.00 0.00 H new ATOM 0 HD21 LEU B 140 -7.833 -2.520 7.473 1.00 0.00 H new ATOM 0 HD22 LEU B 140 -6.662 -2.854 6.176 1.00 0.00 H new ATOM 0 HD23 LEU B 140 -6.582 -1.319 7.072 1.00 0.00 H new ATOM 1478 N LEU B 141 -6.136 1.470 2.695 1.00 0.00 N ATOM 1479 CA LEU B 141 -5.394 1.864 1.506 1.00 0.00 C ATOM 1480 C LEU B 141 -4.373 2.985 1.791 1.00 0.00 C ATOM 1481 O LEU B 141 -3.306 3.012 1.176 1.00 0.00 O ATOM 1482 CB LEU B 141 -6.412 2.211 0.410 1.00 0.00 C ATOM 1483 CG LEU B 141 -5.858 2.234 -1.024 1.00 0.00 C ATOM 1484 CD1 LEU B 141 -5.305 0.860 -1.435 1.00 0.00 C ATOM 1485 CD2 LEU B 141 -7.000 2.560 -1.991 1.00 0.00 C ATOM 0 H LEU B 141 -7.100 1.802 2.704 1.00 0.00 H new ATOM 0 HA LEU B 141 -4.775 1.037 1.157 1.00 0.00 H new ATOM 0 HB2 LEU B 141 -7.228 1.489 0.454 1.00 0.00 H new ATOM 0 HB3 LEU B 141 -6.839 3.189 0.632 1.00 0.00 H new ATOM 0 HG LEU B 141 -5.061 2.977 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU B 141 -4.922 0.912 -2.454 1.00 0.00 H new ATOM 0 HD12 LEU B 141 -4.499 0.575 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU B 141 -6.101 0.117 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU B 141 -6.618 2.579 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU B 141 -7.776 1.799 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU B 141 -7.420 3.535 -1.743 1.00 0.00 H new ATOM 1497 N ALA B 142 -4.652 3.866 2.757 1.00 0.00 N ATOM 1498 CA ALA B 142 -3.683 4.842 3.259 1.00 0.00 C ATOM 1499 C ALA B 142 -2.537 4.203 4.064 1.00 0.00 C ATOM 1500 O ALA B 142 -1.390 4.610 3.889 1.00 0.00 O ATOM 1501 CB ALA B 142 -4.412 5.899 4.094 1.00 0.00 C ATOM 0 H ALA B 142 -5.562 3.921 3.214 1.00 0.00 H new ATOM 0 HA ALA B 142 -3.214 5.309 2.393 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.692 6.627 4.469 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -5.151 6.406 3.474 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -4.912 5.417 4.934 1.00 0.00 H new ATOM 1507 N LYS B 143 -2.806 3.189 4.907 1.00 0.00 N ATOM 1508 CA LYS B 143 -1.765 2.477 5.681 1.00 0.00 C ATOM 1509 C LYS B 143 -0.731 1.807 4.764 1.00 0.00 C ATOM 1510 O LYS B 143 0.468 2.048 4.907 1.00 0.00 O ATOM 1511 CB LYS B 143 -2.393 1.451 6.635 1.00 0.00 C ATOM 1512 CG LYS B 143 -3.129 2.083 7.821 1.00 0.00 C ATOM 1513 CD LYS B 143 -3.960 1.053 8.605 1.00 0.00 C ATOM 1514 CE LYS B 143 -3.087 0.037 9.353 1.00 0.00 C ATOM 1515 NZ LYS B 143 -3.890 -0.834 10.245 1.00 0.00 N1+ ATOM 0 H LYS B 143 -3.749 2.838 5.073 1.00 0.00 H new ATOM 0 HA LYS B 143 -1.239 3.223 6.278 1.00 0.00 H new ATOM 0 HB2 LYS B 143 -3.091 0.828 6.076 1.00 0.00 H new ATOM 0 HB3 LYS B 143 -1.611 0.793 7.013 1.00 0.00 H new ATOM 0 HG2 LYS B 143 -2.405 2.548 8.490 1.00 0.00 H new ATOM 0 HG3 LYS B 143 -3.784 2.876 7.459 1.00 0.00 H new ATOM 0 HD2 LYS B 143 -4.598 1.574 9.319 1.00 0.00 H new ATOM 0 HD3 LYS B 143 -4.619 0.523 7.917 1.00 0.00 H new ATOM 0 HE2 LYS B 143 -2.549 -0.579 8.632 1.00 0.00 H new ATOM 0 HE3 LYS B 143 -2.338 0.566 9.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 143 -3.262 -1.506 10.731 1.00 0.00 H new ATOM 0 HZ2 LYS B 143 -4.383 -0.249 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 143 -4.588 -1.359 9.681 1.00 0.00 H new ATOM 1529 N SER B 144 -1.194 1.030 3.783 1.00 0.00 N ATOM 1530 CA SER B 144 -0.310 0.391 2.798 1.00 0.00 C ATOM 1531 C SER B 144 0.435 1.405 1.907 1.00 0.00 C ATOM 1532 O SER B 144 1.638 1.250 1.687 1.00 0.00 O ATOM 1533 CB SER B 144 -1.096 -0.630 1.966 1.00 0.00 C ATOM 1534 OG SER B 144 -2.206 -0.042 1.311 1.00 0.00 O ATOM 0 H SER B 144 -2.184 0.825 3.647 1.00 0.00 H new ATOM 0 HA SER B 144 0.467 -0.135 3.353 1.00 0.00 H new ATOM 0 HB2 SER B 144 -0.435 -1.079 1.225 1.00 0.00 H new ATOM 0 HB3 SER B 144 -1.443 -1.435 2.614 1.00 0.00 H new ATOM 0 HG SER B 144 -2.926 0.109 1.959 1.00 0.00 H new ATOM 1540 N LEU B 145 -0.205 2.498 1.470 1.00 0.00 N ATOM 1541 CA LEU B 145 0.452 3.589 0.734 1.00 0.00 C ATOM 1542 C LEU B 145 1.533 4.291 1.581 1.00 0.00 C ATOM 1543 O LEU B 145 2.626 4.573 1.082 1.00 0.00 O ATOM 1544 CB LEU B 145 -0.638 4.540 0.192 1.00 0.00 C ATOM 1545 CG LEU B 145 -0.216 5.743 -0.676 1.00 0.00 C ATOM 1546 CD1 LEU B 145 0.217 6.959 0.146 1.00 0.00 C ATOM 1547 CD2 LEU B 145 0.863 5.397 -1.702 1.00 0.00 C ATOM 0 H LEU B 145 -1.202 2.652 1.618 1.00 0.00 H new ATOM 0 HA LEU B 145 1.002 3.188 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -1.336 3.941 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -1.190 4.929 1.047 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.122 6.011 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.501 7.769 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.609 7.284 0.778 1.00 0.00 H new ATOM 0 HD13 LEU B 145 1.068 6.691 0.772 1.00 0.00 H new ATOM 0 HD21 LEU B 145 1.115 6.287 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU B 145 1.753 5.035 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU B 145 0.492 4.622 -2.373 1.00 0.00 H new ATOM 1559 N THR B 146 1.285 4.505 2.879 1.00 0.00 N ATOM 1560 CA THR B 146 2.278 5.081 3.806 1.00 0.00 C ATOM 1561 C THR B 146 3.523 4.189 3.918 1.00 0.00 C ATOM 1562 O THR B 146 4.645 4.694 3.938 1.00 0.00 O ATOM 1563 CB THR B 146 1.652 5.338 5.190 1.00 0.00 C ATOM 1564 OG1 THR B 146 0.608 6.287 5.087 1.00 0.00 O ATOM 1565 CG2 THR B 146 2.653 5.918 6.196 1.00 0.00 C ATOM 0 H THR B 146 0.392 4.285 3.320 1.00 0.00 H new ATOM 0 HA THR B 146 2.598 6.039 3.397 1.00 0.00 H new ATOM 0 HB THR B 146 1.298 4.367 5.537 1.00 0.00 H new ATOM 0 HG1 THR B 146 -0.173 5.870 4.667 1.00 0.00 H new ATOM 0 HG21 THR B 146 2.156 6.078 7.153 1.00 0.00 H new ATOM 0 HG22 THR B 146 3.480 5.221 6.329 1.00 0.00 H new ATOM 0 HG23 THR B 146 3.036 6.868 5.822 1.00 0.00 H new ATOM 1573 N GLU B 147 3.362 2.861 3.916 1.00 0.00 N ATOM 1574 CA GLU B 147 4.496 1.930 3.935 1.00 0.00 C ATOM 1575 C GLU B 147 5.304 1.939 2.619 1.00 0.00 C ATOM 1576 O GLU B 147 6.531 1.832 2.660 1.00 0.00 O ATOM 1577 CB GLU B 147 4.000 0.525 4.314 1.00 0.00 C ATOM 1578 CG GLU B 147 5.091 -0.552 4.461 1.00 0.00 C ATOM 1579 CD GLU B 147 5.980 -0.398 5.712 1.00 0.00 C ATOM 1580 OE1 GLU B 147 6.323 0.734 6.127 1.00 0.00 O ATOM 1581 OE2 GLU B 147 6.400 -1.426 6.289 1.00 0.00 O1- ATOM 0 H GLU B 147 2.450 2.404 3.901 1.00 0.00 H new ATOM 0 HA GLU B 147 5.200 2.267 4.696 1.00 0.00 H new ATOM 0 HB2 GLU B 147 3.455 0.594 5.255 1.00 0.00 H new ATOM 0 HB3 GLU B 147 3.289 0.194 3.557 1.00 0.00 H new ATOM 0 HG2 GLU B 147 4.615 -1.532 4.488 1.00 0.00 H new ATOM 0 HG3 GLU B 147 5.726 -0.531 3.575 1.00 0.00 H new ATOM 1588 N ILE B 148 4.667 2.144 1.455 1.00 0.00 N ATOM 1589 CA ILE B 148 5.381 2.352 0.178 1.00 0.00 C ATOM 1590 C ILE B 148 6.261 3.606 0.276 1.00 0.00 C ATOM 1591 O ILE B 148 7.457 3.525 -0.001 1.00 0.00 O ATOM 1592 CB ILE B 148 4.412 2.438 -1.026 1.00 0.00 C ATOM 1593 CG1 ILE B 148 3.621 1.122 -1.210 1.00 0.00 C ATOM 1594 CG2 ILE B 148 5.173 2.772 -2.326 1.00 0.00 C ATOM 1595 CD1 ILE B 148 2.403 1.262 -2.126 1.00 0.00 C ATOM 0 H ILE B 148 3.651 2.171 1.369 1.00 0.00 H new ATOM 0 HA ILE B 148 6.016 1.484 -0.000 1.00 0.00 H new ATOM 0 HB ILE B 148 3.706 3.240 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE B 148 4.287 0.362 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE B 148 3.292 0.766 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE B 148 4.469 2.826 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE B 148 5.678 3.731 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE B 148 5.910 1.994 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE B 148 1.897 0.300 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE B 148 1.716 1.998 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE B 148 2.727 1.588 -3.115 1.00 0.00 H new ATOM 1607 N LYS B 149 5.713 4.741 0.736 1.00 0.00 N ATOM 1608 CA LYS B 149 6.476 5.982 0.984 1.00 0.00 C ATOM 1609 C LYS B 149 7.660 5.733 1.925 1.00 0.00 C ATOM 1610 O LYS B 149 8.784 6.135 1.610 1.00 0.00 O ATOM 1611 CB LYS B 149 5.550 7.079 1.556 1.00 0.00 C ATOM 1612 CG LYS B 149 4.978 8.058 0.519 1.00 0.00 C ATOM 1613 CD LYS B 149 4.109 7.407 -0.570 1.00 0.00 C ATOM 1614 CE LYS B 149 3.248 8.437 -1.305 1.00 0.00 C ATOM 1615 NZ LYS B 149 4.050 9.452 -2.031 1.00 0.00 N1+ ATOM 0 H LYS B 149 4.719 4.828 0.949 1.00 0.00 H new ATOM 0 HA LYS B 149 6.877 6.324 0.030 1.00 0.00 H new ATOM 0 HB2 LYS B 149 4.720 6.598 2.074 1.00 0.00 H new ATOM 0 HB3 LYS B 149 6.105 7.648 2.302 1.00 0.00 H new ATOM 0 HG2 LYS B 149 4.383 8.809 1.038 1.00 0.00 H new ATOM 0 HG3 LYS B 149 5.805 8.582 0.040 1.00 0.00 H new ATOM 0 HD2 LYS B 149 4.750 6.892 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS B 149 3.465 6.652 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS B 149 2.599 7.921 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS B 149 2.600 8.940 -0.587 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 3.416 10.169 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 4.712 9.909 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 4.585 8.991 -2.794 1.00 0.00 H new ATOM 1629 N ARG B 150 7.432 5.026 3.040 1.00 0.00 N ATOM 1630 CA ARG B 150 8.449 4.692 4.059 1.00 0.00 C ATOM 1631 C ARG B 150 9.595 3.853 3.482 1.00 0.00 C ATOM 1632 O ARG B 150 10.758 4.222 3.651 1.00 0.00 O ATOM 1633 CB ARG B 150 7.743 4.018 5.258 1.00 0.00 C ATOM 1634 CG ARG B 150 8.562 3.999 6.562 1.00 0.00 C ATOM 1635 CD ARG B 150 9.576 2.853 6.708 1.00 0.00 C ATOM 1636 NE ARG B 150 8.918 1.542 6.898 1.00 0.00 N ATOM 1637 CZ ARG B 150 9.431 0.480 7.490 1.00 0.00 C ATOM 1638 NH1 ARG B 150 10.637 0.478 7.992 1.00 0.00 N1+ ATOM 1639 NH2 ARG B 150 8.744 -0.617 7.586 1.00 0.00 N ATOM 0 H ARG B 150 6.509 4.657 3.269 1.00 0.00 H new ATOM 0 HA ARG B 150 8.928 5.606 4.409 1.00 0.00 H new ATOM 0 HB2 ARG B 150 6.801 4.534 5.444 1.00 0.00 H new ATOM 0 HB3 ARG B 150 7.495 2.992 4.986 1.00 0.00 H new ATOM 0 HG2 ARG B 150 9.099 4.944 6.644 1.00 0.00 H new ATOM 0 HG3 ARG B 150 7.869 3.952 7.402 1.00 0.00 H new ATOM 0 HD2 ARG B 150 10.208 2.815 5.821 1.00 0.00 H new ATOM 0 HD3 ARG B 150 10.230 3.055 7.556 1.00 0.00 H new ATOM 0 HE ARG B 150 7.970 1.449 6.534 1.00 0.00 H new ATOM 0 HH11 ARG B 150 11.215 1.316 7.933 1.00 0.00 H new ATOM 0 HH12 ARG B 150 11.000 -0.362 8.443 1.00 0.00 H new ATOM 0 HH21 ARG B 150 7.800 -0.663 7.202 1.00 0.00 H new ATOM 0 HH22 ARG B 150 9.148 -1.433 8.045 1.00 0.00 H new ATOM 1653 N LEU B 151 9.285 2.773 2.762 1.00 0.00 N ATOM 1654 CA LEU B 151 10.290 1.896 2.149 1.00 0.00 C ATOM 1655 C LEU B 151 11.076 2.587 1.031 1.00 0.00 C ATOM 1656 O LEU B 151 12.298 2.466 1.003 1.00 0.00 O ATOM 1657 CB LEU B 151 9.631 0.600 1.624 1.00 0.00 C ATOM 1658 CG LEU B 151 9.731 -0.618 2.556 1.00 0.00 C ATOM 1659 CD1 LEU B 151 11.185 -1.107 2.677 1.00 0.00 C ATOM 1660 CD2 LEU B 151 9.177 -0.348 3.949 1.00 0.00 C ATOM 0 H LEU B 151 8.324 2.479 2.586 1.00 0.00 H new ATOM 0 HA LEU B 151 11.007 1.644 2.931 1.00 0.00 H new ATOM 0 HB2 LEU B 151 8.577 0.802 1.430 1.00 0.00 H new ATOM 0 HB3 LEU B 151 10.087 0.343 0.668 1.00 0.00 H new ATOM 0 HG LEU B 151 9.118 -1.393 2.096 1.00 0.00 H new ATOM 0 HD11 LEU B 151 11.225 -1.969 3.342 1.00 0.00 H new ATOM 0 HD12 LEU B 151 11.556 -1.391 1.692 1.00 0.00 H new ATOM 0 HD13 LEU B 151 11.805 -0.307 3.082 1.00 0.00 H new ATOM 0 HD21 LEU B 151 9.276 -1.245 4.560 1.00 0.00 H new ATOM 0 HD22 LEU B 151 9.733 0.468 4.410 1.00 0.00 H new ATOM 0 HD23 LEU B 151 8.125 -0.073 3.875 1.00 0.00 H new ATOM 1672 N LYS B 152 10.410 3.328 0.135 1.00 0.00 N ATOM 1673 CA LYS B 152 11.066 4.019 -0.992 1.00 0.00 C ATOM 1674 C LYS B 152 11.991 5.148 -0.512 1.00 0.00 C ATOM 1675 O LYS B 152 13.116 5.267 -1.007 1.00 0.00 O ATOM 1676 CB LYS B 152 10.008 4.505 -1.997 1.00 0.00 C ATOM 1677 CG LYS B 152 9.339 3.308 -2.700 1.00 0.00 C ATOM 1678 CD LYS B 152 8.313 3.697 -3.774 1.00 0.00 C ATOM 1679 CE LYS B 152 9.028 4.143 -5.051 1.00 0.00 C ATOM 1680 NZ LYS B 152 8.064 4.541 -6.104 1.00 0.00 N1+ ATOM 0 H LYS B 152 9.400 3.468 0.168 1.00 0.00 H new ATOM 0 HA LYS B 152 11.713 3.309 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS B 152 9.254 5.099 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS B 152 10.473 5.155 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS B 152 10.113 2.693 -3.160 1.00 0.00 H new ATOM 0 HG3 LYS B 152 8.845 2.691 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS B 152 7.663 2.849 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS B 152 7.677 4.501 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS B 152 9.688 4.981 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS B 152 9.656 3.332 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 152 8.570 5.025 -6.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 152 7.591 3.694 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 152 7.353 5.184 -5.699 1.00 0.00 H new ATOM 1694 N ALA B 153 11.579 5.901 0.511 1.00 0.00 N ATOM 1695 CA ALA B 153 12.423 6.904 1.158 1.00 0.00 C ATOM 1696 C ALA B 153 13.646 6.280 1.862 1.00 0.00 C ATOM 1697 O ALA B 153 14.772 6.742 1.665 1.00 0.00 O ATOM 1698 CB ALA B 153 11.561 7.720 2.129 1.00 0.00 C ATOM 0 H ALA B 153 10.645 5.830 0.915 1.00 0.00 H new ATOM 0 HA ALA B 153 12.833 7.564 0.394 1.00 0.00 H new ATOM 0 HB1 ALA B 153 12.178 8.473 2.619 1.00 0.00 H new ATOM 0 HB2 ALA B 153 10.759 8.211 1.579 1.00 0.00 H new ATOM 0 HB3 ALA B 153 11.132 7.057 2.880 1.00 0.00 H new ATOM 1704 N ALA B 154 13.453 5.201 2.634 1.00 0.00 N ATOM 1705 CA ALA B 154 14.535 4.493 3.325 1.00 0.00 C ATOM 1706 C ALA B 154 15.558 3.877 2.342 1.00 0.00 C ATOM 1707 O ALA B 154 16.762 4.055 2.522 1.00 0.00 O ATOM 1708 CB ALA B 154 13.918 3.425 4.238 1.00 0.00 C ATOM 0 H ALA B 154 12.532 4.793 2.796 1.00 0.00 H new ATOM 0 HA ALA B 154 15.096 5.210 3.925 1.00 0.00 H new ATOM 0 HB1 ALA B 154 14.711 2.889 4.759 1.00 0.00 H new ATOM 0 HB2 ALA B 154 13.264 3.903 4.967 1.00 0.00 H new ATOM 0 HB3 ALA B 154 13.340 2.723 3.637 1.00 0.00 H new ATOM 1714 N ASN B 155 15.085 3.214 1.280 1.00 0.00 N ATOM 1715 CA ASN B 155 15.911 2.635 0.215 1.00 0.00 C ATOM 1716 C ASN B 155 16.788 3.714 -0.456 1.00 0.00 C ATOM 1717 O ASN B 155 18.012 3.577 -0.531 1.00 0.00 O ATOM 1718 CB ASN B 155 14.947 1.933 -0.769 1.00 0.00 C ATOM 1719 CG ASN B 155 15.617 1.176 -1.905 1.00 0.00 C ATOM 1720 OD1 ASN B 155 16.562 1.625 -2.534 1.00 0.00 O ATOM 1721 ND2 ASN B 155 15.122 0.003 -2.223 1.00 0.00 N ATOM 0 H ASN B 155 14.087 3.061 1.134 1.00 0.00 H new ATOM 0 HA ASN B 155 16.618 1.905 0.609 1.00 0.00 H new ATOM 0 HB2 ASN B 155 14.324 1.236 -0.207 1.00 0.00 H new ATOM 0 HB3 ASN B 155 14.281 2.682 -1.197 1.00 0.00 H new ATOM 0 HD21 ASN B 155 15.527 -0.530 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN B 155 14.332 -0.376 -1.700 1.00 0.00 H new ATOM 1728 N GLN B 156 16.180 4.834 -0.867 1.00 0.00 N ATOM 1729 CA GLN B 156 16.885 5.957 -1.493 1.00 0.00 C ATOM 1730 C GLN B 156 17.933 6.597 -0.558 1.00 0.00 C ATOM 1731 O GLN B 156 19.040 6.909 -1.000 1.00 0.00 O ATOM 1732 CB GLN B 156 15.843 6.990 -1.962 1.00 0.00 C ATOM 1733 CG GLN B 156 16.465 8.199 -2.682 1.00 0.00 C ATOM 1734 CD GLN B 156 15.429 9.131 -3.314 1.00 0.00 C ATOM 1735 OE1 GLN B 156 14.219 9.012 -3.144 1.00 0.00 O ATOM 1736 NE2 GLN B 156 15.864 10.112 -4.079 1.00 0.00 N ATOM 0 H GLN B 156 15.176 4.986 -0.773 1.00 0.00 H new ATOM 0 HA GLN B 156 17.447 5.582 -2.348 1.00 0.00 H new ATOM 0 HB2 GLN B 156 15.134 6.502 -2.632 1.00 0.00 H new ATOM 0 HB3 GLN B 156 15.277 7.342 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN B 156 17.066 8.766 -1.971 1.00 0.00 H new ATOM 0 HG3 GLN B 156 17.142 7.841 -3.458 1.00 0.00 H new ATOM 0 HE21 GLN B 156 16.865 10.231 -4.235 1.00 0.00 H new ATOM 0 HE22 GLN B 156 15.200 10.752 -4.515 1.00 0.00 H new