USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 970 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 89 TYR OH : rot 180:sc= -1.16 USER MOD Set 1.2: A 99 TYR OH : rot 130:sc= 0.729 USER MOD Single : A 10 ASN : amide:sc= -0.525 K(o=-0.53,f=-1.2!) USER MOD Single : A 12 TYR OH : rot -167:sc= 1.29 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.03! C(o=-1!,f=-5.6!) USER MOD Single : A 19 ASN : amide:sc= -0.899 K(o=-0.9,f=-4.7!) USER MOD Single : A 23 THR OG1 : rot -130:sc= 0.298 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 32 SER OG : rot -21:sc= 0.342 USER MOD Single : A 34 TYR OH : rot 89:sc= 0.518 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.351 X(o=0.35,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 142:sc= 0.45 USER MOD Single : A 52 GLN : amide:sc= -0.657 K(o=-0.66,f=-5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -153:sc= 0.203 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 27:sc= 0.0143 USER MOD Single : A 65 THR OG1 : rot 93:sc= 0.0948 USER MOD Single : A 71 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.11) USER MOD Single : A 73 ASN : amide:sc= -1.97! C(o=-2!,f=-4.3!) USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= -0.0745 (180deg=-0.337) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0754 (180deg=-0.448) USER MOD Single : A 86 HIS : no HE2:sc= -0.359 K(o=-0.36,f=-4.8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= -0.0169 (180deg=-0.131) USER MOD Single : A 94 SER OG : rot -135:sc= 1.26 USER MOD Single : A 96 GLN : amide:sc= -1.36! C(o=-1.4!,f=-2.8!) USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0.19!) USER MOD Single : A 98 TYR OH : rot 30:sc= -0.203 USER MOD Single : A 103 LYS NZ :NH3+ -134:sc= -0.652 (180deg=-3.2!) USER MOD Single : B 209 MET CE :methyl 155:sc= -1.18 (180deg=-2.62!) USER MOD Single : B 213 SER OG : rot 180:sc= -0.142 USER MOD Single : B 215 SER OG : rot 78:sc= 0.983 USER MOD Single : C 317 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ASN A 10 3.687 4.491 -7.057 1.00 0.00 N ATOM 129 CA ASN A 10 4.851 5.236 -6.643 1.00 0.00 C ATOM 130 C ASN A 10 4.342 6.532 -6.078 1.00 0.00 C ATOM 131 O ASN A 10 3.797 7.356 -6.823 1.00 0.00 O ATOM 132 CB ASN A 10 5.778 5.578 -7.831 1.00 0.00 C ATOM 133 CG ASN A 10 5.825 4.526 -8.918 1.00 0.00 C ATOM 134 OD1 ASN A 10 6.597 3.571 -8.876 1.00 0.00 O ATOM 135 ND2 ASN A 10 5.027 4.734 -9.930 1.00 0.00 N ATOM 0 HA ASN A 10 5.423 4.641 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.451 6.521 -8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.788 5.736 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.030 4.092 -10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.400 5.539 -9.928 1.00 0.00 H new ATOM 142 N ALA A 11 4.459 6.706 -4.777 1.00 0.00 N ATOM 143 CA ALA A 11 3.996 7.935 -4.136 1.00 0.00 C ATOM 144 C ALA A 11 5.011 9.053 -4.304 1.00 0.00 C ATOM 145 O ALA A 11 4.727 10.206 -4.013 1.00 0.00 O ATOM 146 CB ALA A 11 3.685 7.704 -2.670 1.00 0.00 C ATOM 0 H ALA A 11 4.867 6.021 -4.141 1.00 0.00 H new ATOM 0 HA ALA A 11 3.073 8.240 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.343 8.636 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.905 6.949 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.584 7.361 -2.157 1.00 0.00 H new ATOM 152 N TYR A 12 6.194 8.693 -4.754 1.00 0.00 N ATOM 153 CA TYR A 12 7.221 9.659 -5.038 1.00 0.00 C ATOM 154 C TYR A 12 7.133 10.094 -6.469 1.00 0.00 C ATOM 155 O TYR A 12 6.824 9.299 -7.369 1.00 0.00 O ATOM 156 CB TYR A 12 8.630 9.120 -4.757 1.00 0.00 C ATOM 157 CG TYR A 12 9.080 9.205 -3.321 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.738 8.235 -2.393 1.00 0.00 C ATOM 159 CD2 TYR A 12 9.874 10.266 -2.900 1.00 0.00 C ATOM 160 CE1 TYR A 12 9.174 8.324 -1.084 1.00 0.00 C ATOM 161 CE2 TYR A 12 10.311 10.362 -1.600 1.00 0.00 C ATOM 162 CZ TYR A 12 9.961 9.394 -0.694 1.00 0.00 C ATOM 163 OH TYR A 12 10.405 9.488 0.612 1.00 0.00 O ATOM 0 H TYR A 12 6.465 7.726 -4.931 1.00 0.00 H new ATOM 0 HA TYR A 12 7.053 10.506 -4.373 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.671 8.077 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 12 9.340 9.668 -5.376 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.124 7.400 -2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 12 10.153 11.031 -3.609 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.902 7.562 -0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.926 11.195 -1.294 1.00 0.00 H new ATOM 0 HH TYR A 12 10.764 10.386 0.772 1.00 0.00 H new ATOM 173 N ILE A 13 7.358 11.332 -6.681 1.00 0.00 N ATOM 174 CA ILE A 13 7.392 11.855 -7.987 1.00 0.00 C ATOM 175 C ILE A 13 8.751 12.385 -8.328 1.00 0.00 C ATOM 176 O ILE A 13 9.439 12.995 -7.495 1.00 0.00 O ATOM 177 CB ILE A 13 6.288 12.901 -8.265 1.00 0.00 C ATOM 178 CG1 ILE A 13 6.230 13.976 -7.161 1.00 0.00 C ATOM 179 CG2 ILE A 13 4.954 12.211 -8.469 1.00 0.00 C ATOM 180 CD1 ILE A 13 5.111 14.983 -7.323 1.00 0.00 C ATOM 0 H ILE A 13 7.525 12.018 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 13 7.177 11.017 -8.650 1.00 0.00 H new ATOM 0 HB ILE A 13 6.535 13.428 -9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.120 13.482 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.181 14.509 -7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.184 12.958 -8.664 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.022 11.530 -9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.695 11.648 -7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.146 15.701 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.229 15.509 -8.271 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.152 14.466 -7.312 1.00 0.00 H new ATOM 192 N TYR A 14 9.133 12.090 -9.525 1.00 0.00 N ATOM 193 CA TYR A 14 10.355 12.511 -10.116 1.00 0.00 C ATOM 194 C TYR A 14 10.181 13.909 -10.600 1.00 0.00 C ATOM 195 O TYR A 14 9.258 14.191 -11.363 1.00 0.00 O ATOM 196 CB TYR A 14 10.702 11.567 -11.295 1.00 0.00 C ATOM 197 CG TYR A 14 11.620 12.149 -12.361 1.00 0.00 C ATOM 198 CD1 TYR A 14 12.992 12.265 -12.175 1.00 0.00 C ATOM 199 CD2 TYR A 14 11.086 12.578 -13.569 1.00 0.00 C ATOM 200 CE1 TYR A 14 13.798 12.795 -13.172 1.00 0.00 C ATOM 201 CE2 TYR A 14 11.875 13.103 -14.555 1.00 0.00 C ATOM 202 CZ TYR A 14 13.227 13.213 -14.361 1.00 0.00 C ATOM 203 OH TYR A 14 14.014 13.745 -15.365 1.00 0.00 O ATOM 0 H TYR A 14 8.568 11.516 -10.151 1.00 0.00 H new ATOM 0 HA TYR A 14 11.169 12.475 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.169 10.669 -10.891 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.773 11.256 -11.773 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.435 11.939 -11.245 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.022 12.495 -13.734 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.864 12.881 -13.021 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.433 13.430 -15.485 1.00 0.00 H new ATOM 0 HH TYR A 14 13.450 13.985 -16.130 1.00 0.00 H new ATOM 213 N ILE A 15 11.008 14.775 -10.133 1.00 0.00 N ATOM 214 CA ILE A 15 10.994 16.117 -10.579 1.00 0.00 C ATOM 215 C ILE A 15 12.281 16.325 -11.337 1.00 0.00 C ATOM 216 O ILE A 15 13.380 16.242 -10.766 1.00 0.00 O ATOM 217 CB ILE A 15 10.931 17.121 -9.413 1.00 0.00 C ATOM 218 CG1 ILE A 15 9.903 16.664 -8.368 1.00 0.00 C ATOM 219 CG2 ILE A 15 10.530 18.492 -9.964 1.00 0.00 C ATOM 220 CD1 ILE A 15 9.913 17.487 -7.103 1.00 0.00 C ATOM 0 H ILE A 15 11.716 14.569 -9.428 1.00 0.00 H new ATOM 0 HA ILE A 15 10.109 16.288 -11.192 1.00 0.00 H new ATOM 0 HB ILE A 15 11.908 17.180 -8.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.907 16.705 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.096 15.622 -8.114 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.482 19.212 -9.147 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.269 18.821 -10.695 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.553 18.420 -10.443 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.160 17.104 -6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.896 17.426 -6.637 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.689 18.526 -7.343 1.00 0.00 H new ATOM 232 N GLY A 16 12.163 16.529 -12.592 1.00 0.00 N ATOM 233 CA GLY A 16 13.308 16.692 -13.408 1.00 0.00 C ATOM 234 C GLY A 16 13.382 18.061 -13.983 1.00 0.00 C ATOM 235 O GLY A 16 12.363 18.760 -14.060 1.00 0.00 O ATOM 0 H GLY A 16 11.272 16.588 -13.086 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.205 16.495 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.288 15.959 -14.214 1.00 0.00 H new ATOM 239 N ASN A 17 14.581 18.443 -14.345 1.00 0.00 N ATOM 240 CA ASN A 17 14.893 19.714 -14.987 1.00 0.00 C ATOM 241 C ASN A 17 14.656 20.905 -14.062 1.00 0.00 C ATOM 242 O ASN A 17 13.688 21.660 -14.203 1.00 0.00 O ATOM 243 CB ASN A 17 14.162 19.897 -16.328 1.00 0.00 C ATOM 244 CG ASN A 17 14.661 21.105 -17.102 1.00 0.00 C ATOM 245 OD1 ASN A 17 15.845 21.475 -17.022 1.00 0.00 O ATOM 246 ND2 ASN A 17 13.777 21.744 -17.824 1.00 0.00 N ATOM 0 H ASN A 17 15.405 17.860 -14.199 1.00 0.00 H new ATOM 0 HA ASN A 17 15.960 19.680 -15.208 1.00 0.00 H new ATOM 0 HB2 ASN A 17 14.293 19.001 -16.935 1.00 0.00 H new ATOM 0 HB3 ASN A 17 13.093 20.004 -16.144 1.00 0.00 H new ATOM 0 HD21 ASN A 17 14.051 22.576 -18.346 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.814 21.410 -17.865 1.00 0.00 H new ATOM 253 N LEU A 18 15.496 21.013 -13.072 1.00 0.00 N ATOM 254 CA LEU A 18 15.468 22.132 -12.167 1.00 0.00 C ATOM 255 C LEU A 18 16.703 22.952 -12.370 1.00 0.00 C ATOM 256 O LEU A 18 17.722 22.449 -12.840 1.00 0.00 O ATOM 257 CB LEU A 18 15.351 21.731 -10.683 1.00 0.00 C ATOM 258 CG LEU A 18 14.047 21.063 -10.229 1.00 0.00 C ATOM 259 CD1 LEU A 18 13.950 19.630 -10.700 1.00 0.00 C ATOM 260 CD2 LEU A 18 13.905 21.145 -8.729 1.00 0.00 C ATOM 0 H LEU A 18 16.222 20.327 -12.867 1.00 0.00 H new ATOM 0 HA LEU A 18 14.569 22.704 -12.399 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.173 21.054 -10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.497 22.627 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 18 13.223 21.609 -10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 18 13.011 19.197 -10.356 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.985 19.602 -11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.784 19.057 -10.295 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.974 20.666 -8.425 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.746 20.638 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.892 22.191 -8.421 1.00 0.00 H new ATOM 272 N ASN A 19 16.620 24.189 -12.012 1.00 0.00 N ATOM 273 CA ASN A 19 17.692 25.127 -12.209 1.00 0.00 C ATOM 274 C ASN A 19 18.509 25.159 -10.910 1.00 0.00 C ATOM 275 O ASN A 19 17.966 24.848 -9.855 1.00 0.00 O ATOM 276 CB ASN A 19 17.054 26.486 -12.537 1.00 0.00 C ATOM 277 CG ASN A 19 17.883 27.371 -13.441 1.00 0.00 C ATOM 278 OD1 ASN A 19 18.689 26.893 -14.249 1.00 0.00 O ATOM 279 ND2 ASN A 19 17.639 28.647 -13.370 1.00 0.00 N ATOM 0 H ASN A 19 15.795 24.591 -11.566 1.00 0.00 H new ATOM 0 HA ASN A 19 18.360 24.858 -13.027 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.086 26.314 -13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.865 27.018 -11.605 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.120 29.294 -13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.967 29.001 -12.689 1.00 0.00 H new ATOM 286 N ARG A 20 19.789 25.501 -10.993 1.00 0.00 N ATOM 287 CA ARG A 20 20.728 25.457 -9.844 1.00 0.00 C ATOM 288 C ARG A 20 20.237 26.087 -8.556 1.00 0.00 C ATOM 289 O ARG A 20 20.369 25.488 -7.497 1.00 0.00 O ATOM 290 CB ARG A 20 22.105 26.006 -10.213 1.00 0.00 C ATOM 291 CG ARG A 20 23.077 24.936 -10.650 1.00 0.00 C ATOM 292 CD ARG A 20 23.509 24.083 -9.456 1.00 0.00 C ATOM 293 NE ARG A 20 24.390 24.818 -8.525 1.00 0.00 N ATOM 294 CZ ARG A 20 24.161 25.068 -7.215 1.00 0.00 C ATOM 295 NH1 ARG A 20 22.956 24.867 -6.662 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 25.132 25.573 -6.479 1.00 0.00 N ATOM 0 H ARG A 20 20.222 25.821 -11.859 1.00 0.00 H new ATOM 0 HA ARG A 20 20.801 24.392 -9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.994 26.736 -11.015 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.519 26.535 -9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 20 22.614 24.304 -11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.951 25.397 -11.110 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.624 23.740 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.027 23.195 -9.817 1.00 0.00 H new ATOM 0 HE ARG A 20 25.264 25.175 -8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.185 24.518 -7.232 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.810 25.063 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 20 26.041 25.770 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.974 25.767 -5.490 1.00 0.00 H new ATOM 310 N GLU A 21 19.676 27.246 -8.639 1.00 0.00 N ATOM 311 CA GLU A 21 19.226 27.959 -7.462 1.00 0.00 C ATOM 312 C GLU A 21 18.048 27.290 -6.785 1.00 0.00 C ATOM 313 O GLU A 21 17.905 27.399 -5.562 1.00 0.00 O ATOM 314 CB GLU A 21 18.892 29.433 -7.744 1.00 0.00 C ATOM 315 CG GLU A 21 18.043 29.683 -8.965 1.00 0.00 C ATOM 316 CD GLU A 21 18.840 29.670 -10.247 1.00 0.00 C ATOM 317 OE1 GLU A 21 19.066 28.591 -10.806 1.00 0.00 O1- ATOM 318 OE2 GLU A 21 19.261 30.741 -10.699 1.00 0.00 O ATOM 0 H GLU A 21 19.510 27.737 -9.518 1.00 0.00 H new ATOM 0 HA GLU A 21 20.076 27.929 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.378 29.844 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.826 29.985 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.263 28.924 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.544 30.647 -8.863 1.00 0.00 H new ATOM 325 N LEU A 22 17.240 26.574 -7.558 1.00 0.00 N ATOM 326 CA LEU A 22 16.032 25.978 -7.029 1.00 0.00 C ATOM 327 C LEU A 22 16.379 24.923 -5.991 1.00 0.00 C ATOM 328 O LEU A 22 17.074 23.932 -6.261 1.00 0.00 O ATOM 329 CB LEU A 22 15.158 25.410 -8.157 1.00 0.00 C ATOM 330 CG LEU A 22 14.857 26.394 -9.307 1.00 0.00 C ATOM 331 CD1 LEU A 22 13.892 25.812 -10.309 1.00 0.00 C ATOM 332 CD2 LEU A 22 14.331 27.713 -8.788 1.00 0.00 C ATOM 0 H LEU A 22 17.404 26.396 -8.549 1.00 0.00 H new ATOM 0 HA LEU A 22 15.446 26.752 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.652 24.531 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.213 25.074 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 22 15.805 26.575 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.708 26.538 -11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.317 24.905 -10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.952 25.572 -9.812 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.130 28.380 -9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.410 27.543 -8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.073 28.168 -8.132 1.00 0.00 H new ATOM 344 N THR A 23 15.929 25.192 -4.815 1.00 0.00 N ATOM 345 CA THR A 23 16.201 24.417 -3.652 1.00 0.00 C ATOM 346 C THR A 23 14.888 23.724 -3.174 1.00 0.00 C ATOM 347 O THR A 23 13.864 23.853 -3.835 1.00 0.00 O ATOM 348 CB THR A 23 16.838 25.364 -2.599 1.00 0.00 C ATOM 349 OG1 THR A 23 17.160 24.701 -1.393 1.00 0.00 O ATOM 350 CG2 THR A 23 15.942 26.543 -2.321 1.00 0.00 C ATOM 0 H THR A 23 15.332 25.998 -4.628 1.00 0.00 H new ATOM 0 HA THR A 23 16.909 23.610 -3.843 1.00 0.00 H new ATOM 0 HB THR A 23 17.773 25.721 -3.032 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.800 25.207 -0.635 1.00 0.00 H new ATOM 0 HG21 THR A 23 16.412 27.190 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.781 27.103 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.984 26.190 -1.939 1.00 0.00 H new ATOM 358 N GLU A 24 14.888 23.062 -2.008 1.00 0.00 N ATOM 359 CA GLU A 24 13.712 22.268 -1.580 1.00 0.00 C ATOM 360 C GLU A 24 12.546 23.180 -1.267 1.00 0.00 C ATOM 361 O GLU A 24 11.407 22.893 -1.615 1.00 0.00 O ATOM 362 CB GLU A 24 13.985 21.394 -0.341 1.00 0.00 C ATOM 363 CG GLU A 24 15.409 20.915 -0.189 1.00 0.00 C ATOM 364 CD GLU A 24 16.230 21.898 0.614 1.00 0.00 C ATOM 365 OE1 GLU A 24 15.984 23.108 0.524 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 17.114 21.474 1.356 1.00 0.00 O ATOM 0 H GLU A 24 15.669 23.055 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 24 13.481 21.607 -2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.713 21.960 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.329 20.524 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.418 19.942 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 24 15.858 20.780 -1.173 1.00 0.00 H new ATOM 373 N GLY A 25 12.852 24.301 -0.631 1.00 0.00 N ATOM 374 CA GLY A 25 11.818 25.273 -0.272 1.00 0.00 C ATOM 375 C GLY A 25 11.162 25.891 -1.489 1.00 0.00 C ATOM 376 O GLY A 25 10.007 26.322 -1.446 1.00 0.00 O ATOM 0 H GLY A 25 13.798 24.563 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.059 24.784 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.259 26.060 0.339 1.00 0.00 H new ATOM 380 N ASP A 26 11.890 25.890 -2.573 1.00 0.00 N ATOM 381 CA ASP A 26 11.439 26.458 -3.833 1.00 0.00 C ATOM 382 C ASP A 26 10.411 25.517 -4.428 1.00 0.00 C ATOM 383 O ASP A 26 9.297 25.910 -4.806 1.00 0.00 O ATOM 384 CB ASP A 26 12.634 26.560 -4.757 1.00 0.00 C ATOM 385 CG ASP A 26 12.358 27.337 -5.984 1.00 0.00 C ATOM 386 OD1 ASP A 26 11.788 26.799 -6.926 1.00 0.00 O ATOM 387 OD2 ASP A 26 12.774 28.506 -6.013 1.00 0.00 O1- ATOM 0 H ASP A 26 12.828 25.491 -2.615 1.00 0.00 H new ATOM 0 HA ASP A 26 10.999 27.445 -3.691 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.462 27.023 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.957 25.557 -5.035 1.00 0.00 H new ATOM 392 N ILE A 27 10.784 24.256 -4.412 1.00 0.00 N ATOM 393 CA ILE A 27 9.964 23.154 -4.864 1.00 0.00 C ATOM 394 C ILE A 27 8.660 23.104 -4.061 1.00 0.00 C ATOM 395 O ILE A 27 7.584 22.861 -4.609 1.00 0.00 O ATOM 396 CB ILE A 27 10.761 21.841 -4.694 1.00 0.00 C ATOM 397 CG1 ILE A 27 12.038 21.928 -5.520 1.00 0.00 C ATOM 398 CG2 ILE A 27 9.940 20.633 -5.118 1.00 0.00 C ATOM 399 CD1 ILE A 27 13.034 20.845 -5.236 1.00 0.00 C ATOM 0 H ILE A 27 11.699 23.960 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 27 9.707 23.287 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 27 11.007 21.714 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.775 21.895 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.509 22.894 -5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.531 19.727 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.040 20.572 -4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.660 20.733 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.912 20.983 -5.867 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.330 20.889 -4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.586 19.874 -5.446 1.00 0.00 H new ATOM 411 N LEU A 28 8.763 23.364 -2.767 1.00 0.00 N ATOM 412 CA LEU A 28 7.598 23.423 -1.903 1.00 0.00 C ATOM 413 C LEU A 28 6.665 24.527 -2.357 1.00 0.00 C ATOM 414 O LEU A 28 5.475 24.304 -2.523 1.00 0.00 O ATOM 415 CB LEU A 28 8.004 23.669 -0.458 1.00 0.00 C ATOM 416 CG LEU A 28 8.846 22.595 0.206 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.223 23.034 1.597 1.00 0.00 C ATOM 418 CD2 LEU A 28 8.083 21.286 0.264 1.00 0.00 C ATOM 0 H LEU A 28 9.648 23.538 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 28 7.085 22.463 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.555 24.608 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.097 23.804 0.132 1.00 0.00 H new ATOM 0 HG LEU A 28 9.751 22.443 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.827 22.261 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.795 23.960 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.319 23.199 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.700 20.526 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.167 21.424 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.833 20.966 -0.747 1.00 0.00 H new ATOM 430 N THR A 29 7.236 25.686 -2.616 1.00 0.00 N ATOM 431 CA THR A 29 6.503 26.862 -3.048 1.00 0.00 C ATOM 432 C THR A 29 5.661 26.568 -4.315 1.00 0.00 C ATOM 433 O THR A 29 4.510 27.048 -4.458 1.00 0.00 O ATOM 434 CB THR A 29 7.497 28.030 -3.292 1.00 0.00 C ATOM 435 OG1 THR A 29 8.207 28.310 -2.071 1.00 0.00 O ATOM 436 CG2 THR A 29 6.787 29.291 -3.762 1.00 0.00 C ATOM 0 H THR A 29 8.241 25.841 -2.531 1.00 0.00 H new ATOM 0 HA THR A 29 5.805 27.150 -2.262 1.00 0.00 H new ATOM 0 HB THR A 29 8.189 27.724 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.931 27.659 -1.957 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.519 30.083 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.264 29.087 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.068 29.607 -3.006 1.00 0.00 H new ATOM 444 N VAL A 30 6.216 25.802 -5.232 1.00 0.00 N ATOM 445 CA VAL A 30 5.471 25.424 -6.403 1.00 0.00 C ATOM 446 C VAL A 30 4.504 24.236 -6.182 1.00 0.00 C ATOM 447 O VAL A 30 3.322 24.333 -6.504 1.00 0.00 O ATOM 448 CB VAL A 30 6.338 25.287 -7.693 1.00 0.00 C ATOM 449 CG1 VAL A 30 6.954 26.629 -8.049 1.00 0.00 C ATOM 450 CG2 VAL A 30 7.425 24.242 -7.549 1.00 0.00 C ATOM 0 H VAL A 30 7.167 25.436 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 30 4.823 26.280 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 30 5.676 24.959 -8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.558 26.525 -8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.162 27.358 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.585 26.969 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.000 24.185 -8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.086 24.516 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.972 23.272 -7.343 1.00 0.00 H new ATOM 460 N PHE A 31 4.984 23.163 -5.571 1.00 0.00 N ATOM 461 CA PHE A 31 4.184 21.940 -5.387 1.00 0.00 C ATOM 462 C PHE A 31 3.060 22.068 -4.340 1.00 0.00 C ATOM 463 O PHE A 31 2.032 21.406 -4.457 1.00 0.00 O ATOM 464 CB PHE A 31 5.077 20.726 -5.048 1.00 0.00 C ATOM 465 CG PHE A 31 5.787 20.128 -6.233 1.00 0.00 C ATOM 466 CD1 PHE A 31 6.885 20.744 -6.786 1.00 0.00 C ATOM 467 CD2 PHE A 31 5.334 18.950 -6.802 1.00 0.00 C ATOM 468 CE1 PHE A 31 7.522 20.210 -7.885 1.00 0.00 C ATOM 469 CE2 PHE A 31 5.968 18.409 -7.897 1.00 0.00 C ATOM 470 CZ PHE A 31 7.060 19.043 -8.441 1.00 0.00 C ATOM 0 H PHE A 31 5.928 23.105 -5.189 1.00 0.00 H new ATOM 0 HA PHE A 31 3.697 21.782 -6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.819 21.031 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.462 19.956 -4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.254 21.661 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.474 18.450 -6.382 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.382 20.708 -8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.608 17.487 -8.329 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.554 18.623 -9.305 1.00 0.00 H new ATOM 480 N SER A 32 3.233 22.924 -3.350 1.00 0.00 N ATOM 481 CA SER A 32 2.278 23.047 -2.236 1.00 0.00 C ATOM 482 C SER A 32 0.881 23.565 -2.662 1.00 0.00 C ATOM 483 O SER A 32 -0.046 23.597 -1.847 1.00 0.00 O ATOM 484 CB SER A 32 2.871 23.874 -1.084 1.00 0.00 C ATOM 485 OG SER A 32 2.028 23.890 0.060 1.00 0.00 O ATOM 0 H SER A 32 4.031 23.556 -3.284 1.00 0.00 H new ATOM 0 HA SER A 32 2.107 22.033 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.844 23.465 -0.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.039 24.896 -1.423 1.00 0.00 H new ATOM 0 HG SER A 32 1.110 23.673 -0.207 1.00 0.00 H new ATOM 491 N GLU A 33 0.744 23.997 -3.899 1.00 0.00 N ATOM 492 CA GLU A 33 -0.551 24.420 -4.404 1.00 0.00 C ATOM 493 C GLU A 33 -1.458 23.197 -4.624 1.00 0.00 C ATOM 494 O GLU A 33 -2.683 23.272 -4.492 1.00 0.00 O ATOM 495 CB GLU A 33 -0.387 25.180 -5.724 1.00 0.00 C ATOM 496 CG GLU A 33 -1.708 25.562 -6.368 1.00 0.00 C ATOM 497 CD GLU A 33 -1.562 26.218 -7.709 1.00 0.00 C ATOM 498 OE1 GLU A 33 -0.759 25.726 -8.537 1.00 0.00 O ATOM 499 OE2 GLU A 33 -2.292 27.199 -7.973 1.00 0.00 O1- ATOM 0 H GLU A 33 1.508 24.065 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.009 25.081 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.196 26.083 -5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.184 24.565 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.320 24.667 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.245 26.236 -5.701 1.00 0.00 H new ATOM 506 N TYR A 34 -0.844 22.066 -4.907 1.00 0.00 N ATOM 507 CA TYR A 34 -1.589 20.869 -5.265 1.00 0.00 C ATOM 508 C TYR A 34 -1.762 19.949 -4.079 1.00 0.00 C ATOM 509 O TYR A 34 -2.286 18.844 -4.208 1.00 0.00 O ATOM 510 CB TYR A 34 -0.899 20.159 -6.434 1.00 0.00 C ATOM 511 CG TYR A 34 -0.681 21.100 -7.591 1.00 0.00 C ATOM 512 CD1 TYR A 34 -1.743 21.510 -8.383 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.572 21.637 -7.844 1.00 0.00 C ATOM 514 CE1 TYR A 34 -1.562 22.414 -9.403 1.00 0.00 C ATOM 515 CE2 TYR A 34 0.758 22.554 -8.852 1.00 0.00 C ATOM 516 CZ TYR A 34 -0.306 22.936 -9.631 1.00 0.00 C ATOM 517 OH TYR A 34 -0.125 23.885 -10.610 1.00 0.00 O ATOM 0 H TYR A 34 0.169 21.947 -4.897 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.590 21.163 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.059 19.756 -6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.506 19.314 -6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -2.729 21.112 -8.195 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.414 21.331 -7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.396 22.713 -10.020 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.738 22.972 -9.030 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.262 24.778 -10.230 1.00 0.00 H new ATOM 527 N GLY A 35 -1.341 20.413 -2.928 1.00 0.00 N ATOM 528 CA GLY A 35 -1.492 19.646 -1.738 1.00 0.00 C ATOM 529 C GLY A 35 -0.409 19.919 -0.744 1.00 0.00 C ATOM 530 O GLY A 35 0.208 20.982 -0.763 1.00 0.00 O ATOM 0 H GLY A 35 -0.892 21.320 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.460 19.866 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.492 18.585 -1.990 1.00 0.00 H new ATOM 534 N VAL A 36 -0.169 18.969 0.114 1.00 0.00 N ATOM 535 CA VAL A 36 0.838 19.097 1.136 1.00 0.00 C ATOM 536 C VAL A 36 1.974 18.120 0.861 1.00 0.00 C ATOM 537 O VAL A 36 1.771 16.890 0.912 1.00 0.00 O ATOM 538 CB VAL A 36 0.265 18.823 2.560 1.00 0.00 C ATOM 539 CG1 VAL A 36 1.350 18.989 3.624 1.00 0.00 C ATOM 540 CG2 VAL A 36 -0.913 19.740 2.859 1.00 0.00 C ATOM 0 H VAL A 36 -0.667 18.079 0.127 1.00 0.00 H new ATOM 0 HA VAL A 36 1.202 20.124 1.110 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.088 17.792 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.927 18.793 4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.160 18.286 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.738 20.007 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.294 19.529 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.588 20.779 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.702 19.570 2.126 1.00 0.00 H new ATOM 550 N PRO A 37 3.149 18.632 0.481 1.00 0.00 N ATOM 551 CA PRO A 37 4.341 17.814 0.323 1.00 0.00 C ATOM 552 C PRO A 37 4.823 17.356 1.692 1.00 0.00 C ATOM 553 O PRO A 37 5.151 18.180 2.546 1.00 0.00 O ATOM 554 CB PRO A 37 5.367 18.778 -0.298 1.00 0.00 C ATOM 555 CG PRO A 37 4.571 19.941 -0.777 1.00 0.00 C ATOM 556 CD PRO A 37 3.412 20.041 0.158 1.00 0.00 C ATOM 0 HA PRO A 37 4.177 16.923 -0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.112 19.086 0.436 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.905 18.304 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.165 20.855 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.236 19.792 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.655 20.624 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.551 20.519 -0.310 1.00 0.00 H new ATOM 564 N VAL A 38 4.845 16.065 1.912 1.00 0.00 N ATOM 565 CA VAL A 38 5.225 15.559 3.215 1.00 0.00 C ATOM 566 C VAL A 38 6.682 15.190 3.264 1.00 0.00 C ATOM 567 O VAL A 38 7.261 15.040 4.344 1.00 0.00 O ATOM 568 CB VAL A 38 4.356 14.367 3.698 1.00 0.00 C ATOM 569 CG1 VAL A 38 2.914 14.788 3.858 1.00 0.00 C ATOM 570 CG2 VAL A 38 4.467 13.177 2.761 1.00 0.00 C ATOM 0 H VAL A 38 4.609 15.353 1.221 1.00 0.00 H new ATOM 0 HA VAL A 38 5.043 16.383 3.905 1.00 0.00 H new ATOM 0 HB VAL A 38 4.736 14.056 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.322 13.938 4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.849 15.591 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.529 15.139 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.845 12.362 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.131 13.466 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.505 12.848 2.712 1.00 0.00 H new ATOM 580 N ASP A 39 7.271 15.021 2.109 1.00 0.00 N ATOM 581 CA ASP A 39 8.671 14.681 2.022 1.00 0.00 C ATOM 582 C ASP A 39 9.185 15.137 0.675 1.00 0.00 C ATOM 583 O ASP A 39 8.518 14.924 -0.345 1.00 0.00 O ATOM 584 CB ASP A 39 8.839 13.170 2.215 1.00 0.00 C ATOM 585 CG ASP A 39 10.260 12.697 2.269 1.00 0.00 C ATOM 586 OD1 ASP A 39 10.917 12.878 3.328 1.00 0.00 O ATOM 587 OD2 ASP A 39 10.711 12.043 1.316 1.00 0.00 O1- ATOM 0 H ASP A 39 6.801 15.114 1.209 1.00 0.00 H new ATOM 0 HA ASP A 39 9.247 15.178 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.338 12.878 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.330 12.655 1.400 1.00 0.00 H new ATOM 592 N VAL A 40 10.304 15.812 0.670 1.00 0.00 N ATOM 593 CA VAL A 40 10.881 16.344 -0.546 1.00 0.00 C ATOM 594 C VAL A 40 12.388 16.284 -0.453 1.00 0.00 C ATOM 595 O VAL A 40 12.955 16.495 0.595 1.00 0.00 O ATOM 596 CB VAL A 40 10.415 17.825 -0.846 1.00 0.00 C ATOM 597 CG1 VAL A 40 10.804 18.785 0.270 1.00 0.00 C ATOM 598 CG2 VAL A 40 10.962 18.326 -2.182 1.00 0.00 C ATOM 0 H VAL A 40 10.847 16.012 1.510 1.00 0.00 H new ATOM 0 HA VAL A 40 10.528 15.729 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 40 9.327 17.799 -0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.464 19.790 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.340 18.466 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 40 11.888 18.787 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.621 19.347 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 40 12.052 18.306 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.604 17.683 -2.986 1.00 0.00 H new ATOM 608 N ILE A 41 13.018 15.966 -1.523 1.00 0.00 N ATOM 609 CA ILE A 41 14.451 15.906 -1.558 1.00 0.00 C ATOM 610 C ILE A 41 14.976 16.491 -2.832 1.00 0.00 C ATOM 611 O ILE A 41 14.483 16.192 -3.920 1.00 0.00 O ATOM 612 CB ILE A 41 15.063 14.475 -1.336 1.00 0.00 C ATOM 613 CG1 ILE A 41 14.387 13.374 -2.197 1.00 0.00 C ATOM 614 CG2 ILE A 41 15.078 14.093 0.134 1.00 0.00 C ATOM 615 CD1 ILE A 41 13.003 12.914 -1.721 1.00 0.00 C ATOM 0 H ILE A 41 12.563 15.738 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 41 14.774 16.501 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 41 16.095 14.539 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 41 14.296 13.743 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 41 15.047 12.507 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.508 13.098 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.678 14.813 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.059 14.094 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.624 12.145 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.082 12.508 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.319 13.762 -1.718 1.00 0.00 H new ATOM 627 N LEU A 42 15.947 17.335 -2.700 1.00 0.00 N ATOM 628 CA LEU A 42 16.570 17.963 -3.818 1.00 0.00 C ATOM 629 C LEU A 42 17.883 17.256 -4.027 1.00 0.00 C ATOM 630 O LEU A 42 18.661 17.107 -3.083 1.00 0.00 O ATOM 631 CB LEU A 42 16.739 19.491 -3.522 1.00 0.00 C ATOM 632 CG LEU A 42 17.364 20.416 -4.607 1.00 0.00 C ATOM 633 CD1 LEU A 42 18.865 20.280 -4.684 1.00 0.00 C ATOM 634 CD2 LEU A 42 16.745 20.157 -5.965 1.00 0.00 C ATOM 0 H LEU A 42 16.335 17.611 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 42 15.977 17.891 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 42 15.753 19.889 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.348 19.584 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 42 17.143 21.440 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.252 20.946 -5.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.304 20.545 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 42 19.125 19.250 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 42 17.200 20.817 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.916 19.119 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.673 20.349 -5.919 1.00 0.00 H new ATOM 646 N SER A 43 18.114 16.776 -5.224 1.00 0.00 N ATOM 647 CA SER A 43 19.326 16.084 -5.502 1.00 0.00 C ATOM 648 C SER A 43 20.450 17.091 -5.647 1.00 0.00 C ATOM 649 O SER A 43 20.529 17.837 -6.637 1.00 0.00 O ATOM 650 CB SER A 43 19.197 15.189 -6.750 1.00 0.00 C ATOM 651 OG SER A 43 20.375 14.417 -6.962 1.00 0.00 O ATOM 0 H SER A 43 17.473 16.857 -6.014 1.00 0.00 H new ATOM 0 HA SER A 43 19.553 15.417 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.341 14.524 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.004 15.809 -7.626 1.00 0.00 H new ATOM 0 HG SER A 43 20.261 13.859 -7.759 1.00 0.00 H new ATOM 657 N ARG A 44 21.230 17.174 -4.620 1.00 0.00 N ATOM 658 CA ARG A 44 22.383 18.006 -4.561 1.00 0.00 C ATOM 659 C ARG A 44 23.531 17.147 -4.127 1.00 0.00 C ATOM 660 O ARG A 44 23.322 16.156 -3.405 1.00 0.00 O ATOM 661 CB ARG A 44 22.179 19.188 -3.583 1.00 0.00 C ATOM 662 CG ARG A 44 21.669 18.787 -2.202 1.00 0.00 C ATOM 663 CD ARG A 44 21.653 19.955 -1.212 1.00 0.00 C ATOM 664 NE ARG A 44 20.888 21.129 -1.679 1.00 0.00 N ATOM 665 CZ ARG A 44 19.824 21.656 -1.051 1.00 0.00 C ATOM 666 NH1 ARG A 44 19.268 21.017 -0.048 1.00 0.00 N1+ ATOM 667 NH2 ARG A 44 19.299 22.793 -1.478 1.00 0.00 N ATOM 0 H ARG A 44 21.073 16.641 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 44 22.578 18.444 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.126 19.715 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.475 19.892 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 44 20.661 18.382 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 44 22.297 17.989 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 44 21.231 19.611 -0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 44 22.680 20.260 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 44 21.191 21.574 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 44 19.644 20.119 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 44 18.460 21.419 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.702 23.270 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.491 23.193 -1.001 1.00 0.00 H new ATOM 681 N ASP A 45 24.706 17.463 -4.597 1.00 0.00 N ATOM 682 CA ASP A 45 25.900 16.718 -4.219 1.00 0.00 C ATOM 683 C ASP A 45 26.118 16.806 -2.710 1.00 0.00 C ATOM 684 O ASP A 45 25.959 17.868 -2.127 1.00 0.00 O ATOM 685 CB ASP A 45 27.118 17.249 -4.955 1.00 0.00 C ATOM 686 CG ASP A 45 28.369 16.480 -4.618 1.00 0.00 C ATOM 687 OD1 ASP A 45 28.591 15.398 -5.206 1.00 0.00 O ATOM 688 OD2 ASP A 45 29.153 16.932 -3.753 1.00 0.00 O1- ATOM 0 H ASP A 45 24.874 18.232 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 45 25.758 15.674 -4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 45 26.941 17.198 -6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 45 27.262 18.300 -4.705 1.00 0.00 H new ATOM 693 N GLU A 46 26.496 15.708 -2.108 1.00 0.00 N ATOM 694 CA GLU A 46 26.644 15.585 -0.661 1.00 0.00 C ATOM 695 C GLU A 46 27.771 16.479 -0.108 1.00 0.00 C ATOM 696 O GLU A 46 27.755 16.866 1.056 1.00 0.00 O ATOM 697 CB GLU A 46 26.918 14.110 -0.322 1.00 0.00 C ATOM 698 CG GLU A 46 26.965 13.767 1.159 1.00 0.00 C ATOM 699 CD GLU A 46 27.515 12.380 1.410 1.00 0.00 C ATOM 700 OE1 GLU A 46 26.749 11.387 1.395 1.00 0.00 O1- ATOM 701 OE2 GLU A 46 28.744 12.254 1.624 1.00 0.00 O ATOM 0 H GLU A 46 26.717 14.849 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 46 25.720 15.922 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.147 13.500 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.869 13.824 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.581 14.500 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 25.961 13.839 1.578 1.00 0.00 H new ATOM 708 N ASN A 47 28.703 16.838 -0.950 1.00 0.00 N ATOM 709 CA ASN A 47 29.887 17.542 -0.497 1.00 0.00 C ATOM 710 C ASN A 47 29.762 19.035 -0.735 1.00 0.00 C ATOM 711 O ASN A 47 29.947 19.847 0.175 1.00 0.00 O ATOM 712 CB ASN A 47 31.126 17.009 -1.233 1.00 0.00 C ATOM 713 CG ASN A 47 31.233 15.494 -1.186 1.00 0.00 C ATOM 714 OD1 ASN A 47 31.819 14.918 -0.260 1.00 0.00 O ATOM 715 ND2 ASN A 47 30.669 14.832 -2.175 1.00 0.00 N ATOM 0 H ASN A 47 28.671 16.658 -1.953 1.00 0.00 H new ATOM 0 HA ASN A 47 29.992 17.371 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 47 31.093 17.334 -2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 47 32.021 17.446 -0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 47 30.707 13.813 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 47 30.194 15.338 -2.922 1.00 0.00 H new ATOM 722 N THR A 48 29.447 19.401 -1.945 1.00 0.00 N ATOM 723 CA THR A 48 29.377 20.808 -2.310 1.00 0.00 C ATOM 724 C THR A 48 27.955 21.361 -2.226 1.00 0.00 C ATOM 725 O THR A 48 27.760 22.573 -2.150 1.00 0.00 O ATOM 726 CB THR A 48 30.025 21.080 -3.710 1.00 0.00 C ATOM 727 OG1 THR A 48 29.723 22.389 -4.214 1.00 0.00 O ATOM 728 CG2 THR A 48 29.624 20.035 -4.712 1.00 0.00 C ATOM 0 H THR A 48 29.233 18.753 -2.703 1.00 0.00 H new ATOM 0 HA THR A 48 29.966 21.350 -1.571 1.00 0.00 H new ATOM 0 HB THR A 48 31.103 21.028 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 48 30.151 22.510 -5.087 1.00 0.00 H new ATOM 0 HG21 THR A 48 30.091 20.254 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 48 29.950 19.054 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 48 28.540 20.038 -4.827 1.00 0.00 H new ATOM 736 N GLY A 49 26.973 20.483 -2.228 1.00 0.00 N ATOM 737 CA GLY A 49 25.596 20.911 -2.124 1.00 0.00 C ATOM 738 C GLY A 49 25.041 21.498 -3.400 1.00 0.00 C ATOM 739 O GLY A 49 24.004 22.153 -3.374 1.00 0.00 O ATOM 0 H GLY A 49 27.103 19.474 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.982 20.060 -1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.515 21.652 -1.329 1.00 0.00 H new ATOM 743 N GLU A 50 25.703 21.262 -4.514 1.00 0.00 N ATOM 744 CA GLU A 50 25.238 21.810 -5.764 1.00 0.00 C ATOM 745 C GLU A 50 24.132 20.956 -6.374 1.00 0.00 C ATOM 746 O GLU A 50 24.240 19.726 -6.437 1.00 0.00 O ATOM 747 CB GLU A 50 26.412 22.178 -6.724 1.00 0.00 C ATOM 748 CG GLU A 50 27.376 21.062 -7.143 1.00 0.00 C ATOM 749 CD GLU A 50 26.923 20.210 -8.301 1.00 0.00 C ATOM 750 OE1 GLU A 50 26.620 20.773 -9.387 1.00 0.00 O ATOM 751 OE2 GLU A 50 26.979 18.968 -8.193 1.00 0.00 O1- ATOM 0 H GLU A 50 26.553 20.702 -4.577 1.00 0.00 H new ATOM 0 HA GLU A 50 24.762 22.770 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.981 22.605 -7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.998 22.964 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.335 21.512 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.548 20.414 -6.284 1.00 0.00 H new ATOM 758 N SER A 51 23.028 21.614 -6.687 1.00 0.00 N ATOM 759 CA SER A 51 21.843 20.993 -7.244 1.00 0.00 C ATOM 760 C SER A 51 22.134 20.342 -8.602 1.00 0.00 C ATOM 761 O SER A 51 22.659 20.985 -9.517 1.00 0.00 O ATOM 762 CB SER A 51 20.769 22.066 -7.409 1.00 0.00 C ATOM 763 OG SER A 51 20.663 22.839 -6.223 1.00 0.00 O ATOM 0 H SER A 51 22.931 22.621 -6.556 1.00 0.00 H new ATOM 0 HA SER A 51 21.505 20.208 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.016 22.712 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.810 21.600 -7.635 1.00 0.00 H new ATOM 0 HG SER A 51 20.509 23.778 -6.457 1.00 0.00 H new ATOM 769 N GLN A 52 21.763 19.086 -8.729 1.00 0.00 N ATOM 770 CA GLN A 52 21.976 18.324 -9.954 1.00 0.00 C ATOM 771 C GLN A 52 20.942 18.714 -10.999 1.00 0.00 C ATOM 772 O GLN A 52 21.119 18.468 -12.196 1.00 0.00 O ATOM 773 CB GLN A 52 21.857 16.827 -9.660 1.00 0.00 C ATOM 774 CG GLN A 52 22.752 16.347 -8.530 1.00 0.00 C ATOM 775 CD GLN A 52 24.237 16.393 -8.834 1.00 0.00 C ATOM 776 OE1 GLN A 52 24.709 17.196 -9.627 1.00 0.00 O ATOM 777 NE2 GLN A 52 24.979 15.551 -8.184 1.00 0.00 N ATOM 0 H GLN A 52 21.304 18.558 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 52 22.973 18.544 -10.335 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.821 16.597 -9.412 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.100 16.269 -10.564 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.557 16.955 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.478 15.322 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 52 24.553 14.895 -7.530 1.00 0.00 H new ATOM 0 HE22 GLN A 52 25.989 15.545 -8.327 1.00 0.00 H new ATOM 786 N GLY A 53 19.876 19.334 -10.533 1.00 0.00 N ATOM 787 CA GLY A 53 18.804 19.726 -11.410 1.00 0.00 C ATOM 788 C GLY A 53 17.693 18.707 -11.409 1.00 0.00 C ATOM 789 O GLY A 53 16.891 18.648 -12.337 1.00 0.00 O ATOM 0 H GLY A 53 19.734 19.575 -9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 53 18.412 20.694 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.187 19.848 -12.423 1.00 0.00 H new ATOM 793 N PHE A 54 17.656 17.895 -10.363 1.00 0.00 N ATOM 794 CA PHE A 54 16.654 16.859 -10.196 1.00 0.00 C ATOM 795 C PHE A 54 16.215 16.848 -8.755 1.00 0.00 C ATOM 796 O PHE A 54 16.999 17.212 -7.865 1.00 0.00 O ATOM 797 CB PHE A 54 17.219 15.471 -10.566 1.00 0.00 C ATOM 798 CG PHE A 54 17.686 15.358 -11.985 1.00 0.00 C ATOM 799 CD1 PHE A 54 16.785 15.100 -13.002 1.00 0.00 C ATOM 800 CD2 PHE A 54 19.023 15.527 -12.304 1.00 0.00 C ATOM 801 CE1 PHE A 54 17.206 15.010 -14.309 1.00 0.00 C ATOM 802 CE2 PHE A 54 19.449 15.443 -13.609 1.00 0.00 C ATOM 803 CZ PHE A 54 18.540 15.184 -14.612 1.00 0.00 C ATOM 0 H PHE A 54 18.330 17.939 -9.599 1.00 0.00 H new ATOM 0 HA PHE A 54 15.813 17.070 -10.857 1.00 0.00 H new ATOM 0 HB2 PHE A 54 18.052 15.241 -9.902 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.451 14.719 -10.387 1.00 0.00 H new ATOM 0 HD1 PHE A 54 15.739 14.968 -12.768 1.00 0.00 H new ATOM 0 HD2 PHE A 54 19.738 15.727 -11.520 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.494 14.804 -15.095 1.00 0.00 H new ATOM 0 HE2 PHE A 54 20.493 15.580 -13.847 1.00 0.00 H new ATOM 0 HZ PHE A 54 18.873 15.117 -15.637 1.00 0.00 H new ATOM 813 N ALA A 55 15.002 16.456 -8.517 1.00 0.00 N ATOM 814 CA ALA A 55 14.457 16.383 -7.189 1.00 0.00 C ATOM 815 C ALA A 55 13.413 15.286 -7.137 1.00 0.00 C ATOM 816 O ALA A 55 13.038 14.732 -8.177 1.00 0.00 O ATOM 817 CB ALA A 55 13.836 17.720 -6.804 1.00 0.00 C ATOM 0 H ALA A 55 14.350 16.173 -9.248 1.00 0.00 H new ATOM 0 HA ALA A 55 15.254 16.156 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.426 17.654 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.599 18.498 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.038 17.966 -7.505 1.00 0.00 H new ATOM 823 N TYR A 56 12.973 14.952 -5.951 1.00 0.00 N ATOM 824 CA TYR A 56 11.928 13.965 -5.749 1.00 0.00 C ATOM 825 C TYR A 56 11.049 14.486 -4.640 1.00 0.00 C ATOM 826 O TYR A 56 11.544 15.176 -3.744 1.00 0.00 O ATOM 827 CB TYR A 56 12.504 12.588 -5.347 1.00 0.00 C ATOM 828 CG TYR A 56 13.559 12.052 -6.286 1.00 0.00 C ATOM 829 CD1 TYR A 56 13.218 11.525 -7.521 1.00 0.00 C ATOM 830 CD2 TYR A 56 14.904 12.100 -5.943 1.00 0.00 C ATOM 831 CE1 TYR A 56 14.182 11.059 -8.386 1.00 0.00 C ATOM 832 CE2 TYR A 56 15.873 11.640 -6.804 1.00 0.00 C ATOM 833 CZ TYR A 56 15.509 11.120 -8.022 1.00 0.00 C ATOM 834 OH TYR A 56 16.479 10.666 -8.883 1.00 0.00 O ATOM 0 H TYR A 56 13.330 15.358 -5.086 1.00 0.00 H new ATOM 0 HA TYR A 56 11.376 13.819 -6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 56 12.931 12.665 -4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.687 11.869 -5.290 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.178 11.479 -7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.194 12.505 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.900 10.648 -9.344 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.915 11.687 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 56 17.361 10.782 -8.473 1.00 0.00 H new ATOM 844 N LEU A 57 9.782 14.210 -4.698 1.00 0.00 N ATOM 845 CA LEU A 57 8.863 14.698 -3.693 1.00 0.00 C ATOM 846 C LEU A 57 7.715 13.722 -3.548 1.00 0.00 C ATOM 847 O LEU A 57 7.435 12.966 -4.462 1.00 0.00 O ATOM 848 CB LEU A 57 8.371 16.121 -4.119 1.00 0.00 C ATOM 849 CG LEU A 57 7.445 16.917 -3.170 1.00 0.00 C ATOM 850 CD1 LEU A 57 7.569 18.391 -3.474 1.00 0.00 C ATOM 851 CD2 LEU A 57 6.000 16.520 -3.375 1.00 0.00 C ATOM 0 H LEU A 57 9.351 13.647 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 57 9.351 14.779 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.255 16.732 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.852 16.017 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 57 7.741 16.702 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.918 18.956 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.602 18.707 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.277 18.575 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.366 17.092 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.709 16.726 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.882 15.456 -3.170 1.00 0.00 H new ATOM 863 N LYS A 58 7.115 13.691 -2.386 1.00 0.00 N ATOM 864 CA LYS A 58 5.909 12.932 -2.166 1.00 0.00 C ATOM 865 C LYS A 58 4.942 13.749 -1.320 1.00 0.00 C ATOM 866 O LYS A 58 5.345 14.417 -0.332 1.00 0.00 O ATOM 867 CB LYS A 58 6.165 11.570 -1.490 1.00 0.00 C ATOM 868 CG LYS A 58 6.876 11.662 -0.156 1.00 0.00 C ATOM 869 CD LYS A 58 6.783 10.378 0.662 1.00 0.00 C ATOM 870 CE LYS A 58 5.347 10.080 1.076 1.00 0.00 C ATOM 871 NZ LYS A 58 5.264 8.961 2.034 1.00 0.00 N1+ ATOM 0 H LYS A 58 7.449 14.192 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 58 5.481 12.723 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.211 11.064 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.757 10.949 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.926 11.902 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.451 12.484 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.174 9.545 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.408 10.466 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.907 10.972 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.757 9.843 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.269 8.794 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.660 8.103 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.805 9.197 2.891 1.00 0.00 H new ATOM 885 N TYR A 59 3.705 13.766 -1.732 1.00 0.00 N ATOM 886 CA TYR A 59 2.652 14.396 -0.966 1.00 0.00 C ATOM 887 C TYR A 59 2.124 13.424 0.076 1.00 0.00 C ATOM 888 O TYR A 59 2.543 12.261 0.124 1.00 0.00 O ATOM 889 CB TYR A 59 1.491 14.818 -1.862 1.00 0.00 C ATOM 890 CG TYR A 59 1.768 15.935 -2.833 1.00 0.00 C ATOM 891 CD1 TYR A 59 2.470 15.719 -4.005 1.00 0.00 C ATOM 892 CD2 TYR A 59 1.270 17.199 -2.598 1.00 0.00 C ATOM 893 CE1 TYR A 59 2.662 16.733 -4.910 1.00 0.00 C ATOM 894 CE2 TYR A 59 1.468 18.218 -3.491 1.00 0.00 C ATOM 895 CZ TYR A 59 2.160 17.981 -4.643 1.00 0.00 C ATOM 896 OH TYR A 59 2.323 18.986 -5.546 1.00 0.00 O ATOM 0 H TYR A 59 3.393 13.345 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 59 3.073 15.281 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.162 13.947 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.659 15.117 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.873 14.738 -4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.713 17.389 -1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.204 16.549 -5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.079 19.204 -3.285 1.00 0.00 H new ATOM 0 HH TYR A 59 2.326 19.848 -5.079 1.00 0.00 H new ATOM 906 N GLU A 60 1.215 13.906 0.906 1.00 0.00 N ATOM 907 CA GLU A 60 0.560 13.079 1.913 1.00 0.00 C ATOM 908 C GLU A 60 -0.247 11.977 1.234 1.00 0.00 C ATOM 909 O GLU A 60 -0.237 10.818 1.656 1.00 0.00 O ATOM 910 CB GLU A 60 -0.355 13.950 2.797 1.00 0.00 C ATOM 911 CG GLU A 60 -1.019 13.200 3.943 1.00 0.00 C ATOM 912 CD GLU A 60 -1.842 14.098 4.839 1.00 0.00 C ATOM 913 OE1 GLU A 60 -1.291 14.641 5.816 1.00 0.00 O1- ATOM 914 OE2 GLU A 60 -3.059 14.254 4.597 1.00 0.00 O ATOM 0 H GLU A 60 0.909 14.879 0.904 1.00 0.00 H new ATOM 0 HA GLU A 60 1.318 12.618 2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.232 14.772 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.130 14.393 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.659 12.418 3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.252 12.706 4.539 1.00 0.00 H new ATOM 921 N ASP A 61 -0.883 12.337 0.151 1.00 0.00 N ATOM 922 CA ASP A 61 -1.725 11.423 -0.578 1.00 0.00 C ATOM 923 C ASP A 61 -1.224 11.277 -2.014 1.00 0.00 C ATOM 924 O ASP A 61 -0.698 12.245 -2.607 1.00 0.00 O ATOM 925 CB ASP A 61 -3.166 11.922 -0.554 1.00 0.00 C ATOM 926 CG ASP A 61 -4.096 11.012 -1.293 1.00 0.00 C ATOM 927 OD1 ASP A 61 -4.547 10.011 -0.717 1.00 0.00 O1- ATOM 928 OD2 ASP A 61 -4.358 11.270 -2.468 1.00 0.00 O ATOM 0 H ASP A 61 -0.833 13.273 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.688 10.442 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.498 12.015 0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.210 12.918 -0.994 1.00 0.00 H new ATOM 933 N GLN A 62 -1.386 10.095 -2.581 1.00 0.00 N ATOM 934 CA GLN A 62 -0.894 9.812 -3.919 1.00 0.00 C ATOM 935 C GLN A 62 -1.692 10.566 -4.991 1.00 0.00 C ATOM 936 O GLN A 62 -1.169 10.893 -6.029 1.00 0.00 O ATOM 937 CB GLN A 62 -0.899 8.301 -4.206 1.00 0.00 C ATOM 938 CG GLN A 62 -0.255 7.923 -5.541 1.00 0.00 C ATOM 939 CD GLN A 62 -0.390 6.455 -5.869 1.00 0.00 C ATOM 940 OE1 GLN A 62 -1.343 6.031 -6.523 1.00 0.00 O ATOM 941 NE2 GLN A 62 0.536 5.666 -5.415 1.00 0.00 N ATOM 0 H GLN A 62 -1.858 9.310 -2.132 1.00 0.00 H new ATOM 0 HA GLN A 62 0.136 10.166 -3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.374 7.786 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.928 7.942 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.712 8.511 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.802 8.188 -5.516 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.313 6.049 -4.876 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.486 4.664 -5.597 1.00 0.00 H new ATOM 950 N ARG A 63 -2.924 10.904 -4.720 1.00 0.00 N ATOM 951 CA ARG A 63 -3.748 11.560 -5.725 1.00 0.00 C ATOM 952 C ARG A 63 -3.486 13.059 -5.763 1.00 0.00 C ATOM 953 O ARG A 63 -3.708 13.720 -6.774 1.00 0.00 O ATOM 954 CB ARG A 63 -5.204 11.201 -5.524 1.00 0.00 C ATOM 955 CG ARG A 63 -5.414 9.709 -5.650 1.00 0.00 C ATOM 956 CD ARG A 63 -6.829 9.273 -5.392 1.00 0.00 C ATOM 957 NE ARG A 63 -6.912 7.818 -5.486 1.00 0.00 N ATOM 958 CZ ARG A 63 -7.717 7.036 -4.770 1.00 0.00 C ATOM 959 NH1 ARG A 63 -8.665 7.565 -3.995 1.00 0.00 N1+ ATOM 960 NH2 ARG A 63 -7.592 5.716 -4.861 1.00 0.00 N ATOM 0 H ARG A 63 -3.384 10.742 -3.824 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.471 11.193 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.533 11.537 -4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.816 11.722 -6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.123 9.394 -6.652 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.753 9.198 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.149 9.604 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.501 9.734 -6.115 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.299 7.360 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.778 8.578 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.277 6.957 -3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.885 5.312 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.203 5.107 -4.317 1.00 0.00 H new ATOM 974 N SER A 64 -2.901 13.552 -4.695 1.00 0.00 N ATOM 975 CA SER A 64 -2.487 14.942 -4.592 1.00 0.00 C ATOM 976 C SER A 64 -1.222 15.050 -5.444 1.00 0.00 C ATOM 977 O SER A 64 -0.994 16.000 -6.216 1.00 0.00 O ATOM 978 CB SER A 64 -2.207 15.244 -3.098 1.00 0.00 C ATOM 979 OG SER A 64 -1.794 16.571 -2.852 1.00 0.00 O ATOM 0 H SER A 64 -2.695 12.998 -3.863 1.00 0.00 H new ATOM 0 HA SER A 64 -3.234 15.655 -4.939 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.109 15.041 -2.521 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.438 14.561 -2.737 1.00 0.00 H new ATOM 0 HG SER A 64 -2.153 17.160 -3.549 1.00 0.00 H new ATOM 985 N THR A 65 -0.471 13.996 -5.333 1.00 0.00 N ATOM 986 CA THR A 65 0.706 13.742 -6.073 1.00 0.00 C ATOM 987 C THR A 65 0.390 13.705 -7.604 1.00 0.00 C ATOM 988 O THR A 65 1.050 14.377 -8.396 1.00 0.00 O ATOM 989 CB THR A 65 1.243 12.398 -5.547 1.00 0.00 C ATOM 990 OG1 THR A 65 1.705 12.524 -4.188 1.00 0.00 O ATOM 991 CG2 THR A 65 2.268 11.777 -6.423 1.00 0.00 C ATOM 0 H THR A 65 -0.688 13.247 -4.676 1.00 0.00 H new ATOM 0 HA THR A 65 1.455 14.524 -5.949 1.00 0.00 H new ATOM 0 HB THR A 65 0.399 11.708 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.981 12.285 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.597 10.834 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.840 11.590 -7.408 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.120 12.450 -6.519 1.00 0.00 H new ATOM 999 N ILE A 66 -0.666 12.971 -7.981 1.00 0.00 N ATOM 1000 CA ILE A 66 -1.096 12.855 -9.388 1.00 0.00 C ATOM 1001 C ILE A 66 -1.520 14.227 -9.941 1.00 0.00 C ATOM 1002 O ILE A 66 -1.278 14.544 -11.118 1.00 0.00 O ATOM 1003 CB ILE A 66 -2.286 11.860 -9.533 1.00 0.00 C ATOM 1004 CG1 ILE A 66 -1.915 10.505 -8.939 1.00 0.00 C ATOM 1005 CG2 ILE A 66 -2.677 11.691 -11.004 1.00 0.00 C ATOM 1006 CD1 ILE A 66 -3.065 9.534 -8.864 1.00 0.00 C ATOM 0 H ILE A 66 -1.245 12.443 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.246 12.478 -9.957 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.139 12.268 -8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.118 10.063 -9.537 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.515 10.656 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.510 10.992 -11.081 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.974 12.656 -11.415 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.826 11.305 -11.565 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.721 8.595 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.855 9.953 -8.241 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.452 9.351 -9.866 1.00 0.00 H new ATOM 1018 N LEU A 67 -2.138 15.039 -9.088 1.00 0.00 N ATOM 1019 CA LEU A 67 -2.578 16.373 -9.479 1.00 0.00 C ATOM 1020 C LEU A 67 -1.373 17.206 -9.924 1.00 0.00 C ATOM 1021 O LEU A 67 -1.400 17.853 -10.975 1.00 0.00 O ATOM 1022 CB LEU A 67 -3.311 17.064 -8.319 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.982 18.401 -8.645 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -5.047 18.216 -9.715 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -4.591 19.012 -7.393 1.00 0.00 C ATOM 0 H LEU A 67 -2.345 14.795 -8.120 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.274 16.283 -10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.072 16.382 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.598 17.227 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.221 19.082 -9.027 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.513 19.177 -9.934 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.588 17.821 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.804 17.518 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.063 19.962 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.338 18.332 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.809 19.181 -6.653 1.00 0.00 H new ATOM 1037 N ALA A 68 -0.303 17.139 -9.144 1.00 0.00 N ATOM 1038 CA ALA A 68 0.933 17.842 -9.474 1.00 0.00 C ATOM 1039 C ALA A 68 1.498 17.367 -10.814 1.00 0.00 C ATOM 1040 O ALA A 68 1.893 18.183 -11.654 1.00 0.00 O ATOM 1041 CB ALA A 68 1.962 17.643 -8.388 1.00 0.00 C ATOM 0 H ALA A 68 -0.264 16.604 -8.276 1.00 0.00 H new ATOM 0 HA ALA A 68 0.698 18.903 -9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.877 18.174 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.576 18.031 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.178 16.580 -8.282 1.00 0.00 H new ATOM 1047 N VAL A 69 1.489 16.048 -11.014 1.00 0.00 N ATOM 1048 CA VAL A 69 2.025 15.410 -12.228 1.00 0.00 C ATOM 1049 C VAL A 69 1.343 15.938 -13.495 1.00 0.00 C ATOM 1050 O VAL A 69 2.001 16.194 -14.515 1.00 0.00 O ATOM 1051 CB VAL A 69 1.854 13.853 -12.187 1.00 0.00 C ATOM 1052 CG1 VAL A 69 2.457 13.186 -13.421 1.00 0.00 C ATOM 1053 CG2 VAL A 69 2.465 13.268 -10.935 1.00 0.00 C ATOM 0 H VAL A 69 1.109 15.385 -10.338 1.00 0.00 H new ATOM 0 HA VAL A 69 3.086 15.659 -12.256 1.00 0.00 H new ATOM 0 HB VAL A 69 0.783 13.653 -12.180 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.318 12.107 -13.356 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.962 13.562 -14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.522 13.413 -13.473 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.330 12.186 -10.936 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.529 13.501 -10.906 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.977 13.694 -10.059 1.00 0.00 H new ATOM 1063 N ASP A 70 0.047 16.119 -13.424 1.00 0.00 N ATOM 1064 CA ASP A 70 -0.718 16.511 -14.598 1.00 0.00 C ATOM 1065 C ASP A 70 -0.769 18.024 -14.798 1.00 0.00 C ATOM 1066 O ASP A 70 -0.870 18.496 -15.924 1.00 0.00 O ATOM 1067 CB ASP A 70 -2.136 15.927 -14.548 1.00 0.00 C ATOM 1068 CG ASP A 70 -2.935 16.193 -15.816 1.00 0.00 C ATOM 1069 OD1 ASP A 70 -2.520 15.722 -16.904 1.00 0.00 O1- ATOM 1070 OD2 ASP A 70 -3.985 16.867 -15.763 1.00 0.00 O ATOM 0 H ASP A 70 -0.504 16.004 -12.574 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.193 16.097 -15.459 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.074 14.851 -14.383 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.667 16.350 -13.695 1.00 0.00 H new ATOM 1075 N ASN A 71 -0.644 18.786 -13.735 1.00 0.00 N ATOM 1076 CA ASN A 71 -0.809 20.240 -13.862 1.00 0.00 C ATOM 1077 C ASN A 71 0.512 20.969 -13.914 1.00 0.00 C ATOM 1078 O ASN A 71 0.812 21.663 -14.876 1.00 0.00 O ATOM 1079 CB ASN A 71 -1.657 20.844 -12.727 1.00 0.00 C ATOM 1080 CG ASN A 71 -3.129 20.435 -12.693 1.00 0.00 C ATOM 1081 OD1 ASN A 71 -3.719 20.383 -11.633 1.00 0.00 O ATOM 1082 ND2 ASN A 71 -3.739 20.172 -13.828 1.00 0.00 N ATOM 0 H ASN A 71 -0.435 18.450 -12.795 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.333 20.378 -14.808 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.203 20.567 -11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.605 21.930 -12.801 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.727 19.918 -13.829 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.224 20.222 -14.707 1.00 0.00 H new ATOM 1089 N LEU A 72 1.329 20.748 -12.905 1.00 0.00 N ATOM 1090 CA LEU A 72 2.544 21.519 -12.690 1.00 0.00 C ATOM 1091 C LEU A 72 3.625 21.195 -13.728 1.00 0.00 C ATOM 1092 O LEU A 72 4.568 21.964 -13.915 1.00 0.00 O ATOM 1093 CB LEU A 72 3.030 21.281 -11.243 1.00 0.00 C ATOM 1094 CG LEU A 72 4.233 22.087 -10.732 1.00 0.00 C ATOM 1095 CD1 LEU A 72 4.010 23.577 -10.891 1.00 0.00 C ATOM 1096 CD2 LEU A 72 4.475 21.766 -9.277 1.00 0.00 C ATOM 0 H LEU A 72 1.171 20.024 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 72 2.326 22.579 -12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.191 21.478 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.274 20.223 -11.145 1.00 0.00 H new ATOM 0 HG LEU A 72 5.103 21.809 -11.326 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.881 24.117 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.860 23.812 -11.945 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.129 23.876 -10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.329 22.339 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.591 22.026 -8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.680 20.701 -9.169 1.00 0.00 H new ATOM 1108 N ASN A 73 3.466 20.079 -14.417 1.00 0.00 N ATOM 1109 CA ASN A 73 4.436 19.651 -15.421 1.00 0.00 C ATOM 1110 C ASN A 73 4.463 20.621 -16.582 1.00 0.00 C ATOM 1111 O ASN A 73 3.445 20.829 -17.258 1.00 0.00 O ATOM 1112 CB ASN A 73 4.131 18.233 -15.920 1.00 0.00 C ATOM 1113 CG ASN A 73 5.180 17.706 -16.896 1.00 0.00 C ATOM 1114 OD1 ASN A 73 6.356 18.059 -16.827 1.00 0.00 O ATOM 1115 ND2 ASN A 73 4.767 16.845 -17.786 1.00 0.00 N ATOM 0 H ASN A 73 2.673 19.448 -14.302 1.00 0.00 H new ATOM 0 HA ASN A 73 5.419 19.640 -14.950 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.066 17.559 -15.066 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.155 18.227 -16.406 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.427 16.443 -18.452 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.784 16.574 -17.816 1.00 0.00 H new ATOM 1122 N GLY A 74 5.599 21.237 -16.789 1.00 0.00 N ATOM 1123 CA GLY A 74 5.732 22.171 -17.864 1.00 0.00 C ATOM 1124 C GLY A 74 5.752 23.602 -17.386 1.00 0.00 C ATOM 1125 O GLY A 74 5.904 24.522 -18.194 1.00 0.00 O ATOM 0 H GLY A 74 6.439 21.106 -16.226 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.651 21.961 -18.412 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.906 22.036 -18.563 1.00 0.00 H new ATOM 1129 N PHE A 75 5.586 23.808 -16.082 1.00 0.00 N ATOM 1130 CA PHE A 75 5.635 25.152 -15.530 1.00 0.00 C ATOM 1131 C PHE A 75 7.063 25.678 -15.636 1.00 0.00 C ATOM 1132 O PHE A 75 8.025 25.004 -15.230 1.00 0.00 O ATOM 1133 CB PHE A 75 5.122 25.186 -14.081 1.00 0.00 C ATOM 1134 CG PHE A 75 4.969 26.576 -13.509 1.00 0.00 C ATOM 1135 CD1 PHE A 75 3.848 27.346 -13.807 1.00 0.00 C ATOM 1136 CD2 PHE A 75 5.935 27.108 -12.670 1.00 0.00 C ATOM 1137 CE1 PHE A 75 3.703 28.616 -13.280 1.00 0.00 C ATOM 1138 CE2 PHE A 75 5.793 28.377 -12.142 1.00 0.00 C ATOM 1139 CZ PHE A 75 4.677 29.131 -12.447 1.00 0.00 C ATOM 0 H PHE A 75 5.419 23.070 -15.398 1.00 0.00 H new ATOM 0 HA PHE A 75 4.973 25.801 -16.104 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.158 24.679 -14.037 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.808 24.620 -13.451 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.083 26.947 -14.457 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.810 26.524 -12.426 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.830 29.204 -13.519 1.00 0.00 H new ATOM 0 HE2 PHE A 75 6.555 28.779 -11.491 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.566 30.123 -12.034 1.00 0.00 H new ATOM 1149 N LYS A 76 7.191 26.851 -16.197 1.00 0.00 N ATOM 1150 CA LYS A 76 8.472 27.431 -16.494 1.00 0.00 C ATOM 1151 C LYS A 76 9.018 28.194 -15.297 1.00 0.00 C ATOM 1152 O LYS A 76 8.340 29.073 -14.753 1.00 0.00 O ATOM 1153 CB LYS A 76 8.334 28.373 -17.695 1.00 0.00 C ATOM 1154 CG LYS A 76 9.640 28.985 -18.176 1.00 0.00 C ATOM 1155 CD LYS A 76 10.564 27.951 -18.806 1.00 0.00 C ATOM 1156 CE LYS A 76 10.025 27.426 -20.129 1.00 0.00 C ATOM 1157 NZ LYS A 76 9.881 28.504 -21.130 1.00 0.00 N1+ ATOM 0 H LYS A 76 6.399 27.437 -16.463 1.00 0.00 H new ATOM 0 HA LYS A 76 9.172 26.629 -16.730 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.880 27.824 -18.520 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.647 29.177 -17.432 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.426 29.769 -18.903 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.148 29.459 -17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.547 28.395 -18.967 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.699 27.119 -18.115 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.695 26.658 -20.516 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.058 26.951 -19.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.794 28.087 -22.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.030 29.063 -20.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.718 29.121 -21.098 1.00 0.00 H new ATOM 1171 N ILE A 77 10.217 27.844 -14.887 1.00 0.00 N ATOM 1172 CA ILE A 77 10.898 28.522 -13.817 1.00 0.00 C ATOM 1173 C ILE A 77 12.337 28.836 -14.237 1.00 0.00 C ATOM 1174 O ILE A 77 13.201 27.948 -14.265 1.00 0.00 O ATOM 1175 CB ILE A 77 10.941 27.690 -12.498 1.00 0.00 C ATOM 1176 CG1 ILE A 77 9.532 27.281 -12.061 1.00 0.00 C ATOM 1177 CG2 ILE A 77 11.620 28.506 -11.395 1.00 0.00 C ATOM 1178 CD1 ILE A 77 9.496 26.409 -10.827 1.00 0.00 C ATOM 0 H ILE A 77 10.748 27.073 -15.293 1.00 0.00 H new ATOM 0 HA ILE A 77 10.335 29.434 -13.620 1.00 0.00 H new ATOM 0 HB ILE A 77 11.515 26.781 -12.681 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.946 28.181 -11.874 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.049 26.751 -12.881 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.648 27.922 -10.475 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.637 28.753 -11.699 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.059 29.425 -11.224 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.462 26.164 -10.585 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.052 25.490 -11.014 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.948 26.943 -9.991 1.00 0.00 H new ATOM 1190 N GLY A 78 12.562 30.062 -14.647 1.00 0.00 N ATOM 1191 CA GLY A 78 13.905 30.538 -14.924 1.00 0.00 C ATOM 1192 C GLY A 78 14.518 29.922 -16.153 1.00 0.00 C ATOM 1193 O GLY A 78 15.697 29.550 -16.159 1.00 0.00 O ATOM 0 H GLY A 78 11.829 30.755 -14.798 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.881 31.621 -15.044 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.542 30.326 -14.065 1.00 0.00 H new ATOM 1197 N GLY A 79 13.722 29.767 -17.178 1.00 0.00 N ATOM 1198 CA GLY A 79 14.219 29.231 -18.421 1.00 0.00 C ATOM 1199 C GLY A 79 14.023 27.735 -18.547 1.00 0.00 C ATOM 1200 O GLY A 79 14.041 27.196 -19.657 1.00 0.00 O ATOM 0 H GLY A 79 12.730 30.003 -17.179 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.716 29.728 -19.250 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.281 29.460 -18.509 1.00 0.00 H new ATOM 1204 N ARG A 80 13.832 27.058 -17.433 1.00 0.00 N ATOM 1205 CA ARG A 80 13.617 25.619 -17.446 1.00 0.00 C ATOM 1206 C ARG A 80 12.201 25.327 -17.027 1.00 0.00 C ATOM 1207 O ARG A 80 11.666 26.013 -16.175 1.00 0.00 O ATOM 1208 CB ARG A 80 14.535 24.900 -16.462 1.00 0.00 C ATOM 1209 CG ARG A 80 16.017 25.113 -16.643 1.00 0.00 C ATOM 1210 CD ARG A 80 16.760 24.226 -15.675 1.00 0.00 C ATOM 1211 NE ARG A 80 18.211 24.412 -15.693 1.00 0.00 N ATOM 1212 CZ ARG A 80 19.095 23.408 -15.830 1.00 0.00 C ATOM 1213 NH1 ARG A 80 18.682 22.201 -16.250 1.00 0.00 N1+ ATOM 1214 NH2 ARG A 80 20.386 23.623 -15.598 1.00 0.00 N ATOM 0 H ARG A 80 13.821 27.479 -16.504 1.00 0.00 H new ATOM 0 HA ARG A 80 13.824 25.268 -18.457 1.00 0.00 H new ATOM 0 HB2 ARG A 80 14.266 25.214 -15.453 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.334 23.831 -16.527 1.00 0.00 H new ATOM 0 HG2 ARG A 80 16.309 24.881 -17.667 1.00 0.00 H new ATOM 0 HG3 ARG A 80 16.272 26.158 -16.468 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.392 24.417 -14.667 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.534 23.185 -15.905 1.00 0.00 H new ATOM 0 HE ARG A 80 18.574 25.360 -15.596 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.697 22.045 -16.465 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.353 21.440 -16.354 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.706 24.550 -15.316 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.057 22.861 -15.702 1.00 0.00 H new ATOM 1228 N ALA A 81 11.586 24.354 -17.625 1.00 0.00 N ATOM 1229 CA ALA A 81 10.285 23.940 -17.185 1.00 0.00 C ATOM 1230 C ALA A 81 10.418 22.614 -16.497 1.00 0.00 C ATOM 1231 O ALA A 81 10.928 21.647 -17.096 1.00 0.00 O ATOM 1232 CB ALA A 81 9.309 23.852 -18.333 1.00 0.00 C ATOM 0 H ALA A 81 11.960 23.831 -18.417 1.00 0.00 H new ATOM 0 HA ALA A 81 9.888 24.683 -16.493 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.335 23.535 -17.959 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.216 24.829 -18.807 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.670 23.128 -19.063 1.00 0.00 H new ATOM 1238 N LEU A 82 9.985 22.553 -15.264 1.00 0.00 N ATOM 1239 CA LEU A 82 10.112 21.346 -14.484 1.00 0.00 C ATOM 1240 C LEU A 82 9.210 20.217 -14.971 1.00 0.00 C ATOM 1241 O LEU A 82 8.099 20.442 -15.501 1.00 0.00 O ATOM 1242 CB LEU A 82 10.037 21.602 -12.959 1.00 0.00 C ATOM 1243 CG LEU A 82 8.938 22.545 -12.433 1.00 0.00 C ATOM 1244 CD1 LEU A 82 7.547 22.001 -12.686 1.00 0.00 C ATOM 1245 CD2 LEU A 82 9.139 22.802 -10.951 1.00 0.00 C ATOM 0 H LEU A 82 9.539 23.329 -14.775 1.00 0.00 H new ATOM 0 HA LEU A 82 11.125 20.982 -14.658 1.00 0.00 H new ATOM 0 HB2 LEU A 82 9.913 20.638 -12.465 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.000 22.002 -12.641 1.00 0.00 H new ATOM 0 HG LEU A 82 9.023 23.483 -12.981 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.807 22.700 -12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.396 21.871 -13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.436 21.039 -12.185 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.357 23.470 -10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.091 21.858 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.113 23.263 -10.791 1.00 0.00 H new ATOM 1257 N LYS A 83 9.720 19.041 -14.839 1.00 0.00 N ATOM 1258 CA LYS A 83 9.118 17.824 -15.312 1.00 0.00 C ATOM 1259 C LYS A 83 8.731 16.948 -14.132 1.00 0.00 C ATOM 1260 O LYS A 83 9.545 16.720 -13.259 1.00 0.00 O ATOM 1261 CB LYS A 83 10.180 17.124 -16.181 1.00 0.00 C ATOM 1262 CG LYS A 83 9.888 15.703 -16.619 1.00 0.00 C ATOM 1263 CD LYS A 83 8.651 15.599 -17.484 1.00 0.00 C ATOM 1264 CE LYS A 83 8.507 14.199 -18.056 1.00 0.00 C ATOM 1265 NZ LYS A 83 9.624 13.857 -18.977 1.00 0.00 N1+ ATOM 0 H LYS A 83 10.615 18.885 -14.375 1.00 0.00 H new ATOM 0 HA LYS A 83 8.212 18.020 -15.886 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.337 17.728 -17.075 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.120 17.121 -15.629 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.745 15.314 -17.170 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.763 15.074 -15.737 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.768 15.848 -16.895 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.708 16.324 -18.296 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.474 13.476 -17.241 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.560 14.121 -18.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.343 13.060 -19.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.849 14.681 -19.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.463 13.591 -18.422 1.00 0.00 H new ATOM 1279 N ILE A 84 7.504 16.471 -14.105 1.00 0.00 N ATOM 1280 CA ILE A 84 7.072 15.582 -13.034 1.00 0.00 C ATOM 1281 C ILE A 84 6.652 14.235 -13.630 1.00 0.00 C ATOM 1282 O ILE A 84 5.968 14.193 -14.658 1.00 0.00 O ATOM 1283 CB ILE A 84 5.860 16.127 -12.170 1.00 0.00 C ATOM 1284 CG1 ILE A 84 6.089 17.521 -11.582 1.00 0.00 C ATOM 1285 CG2 ILE A 84 5.554 15.179 -11.032 1.00 0.00 C ATOM 1286 CD1 ILE A 84 5.803 18.647 -12.520 1.00 0.00 C ATOM 0 H ILE A 84 6.790 16.678 -14.803 1.00 0.00 H new ATOM 0 HA ILE A 84 7.929 15.496 -12.366 1.00 0.00 H new ATOM 0 HB ILE A 84 5.023 16.197 -12.865 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.463 17.635 -10.697 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.125 17.596 -11.251 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.719 15.568 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.291 14.201 -11.434 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.431 15.084 -10.392 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.993 19.596 -12.018 1.00 0.00 H new ATOM 0 HD12 ILE A 84 6.448 18.564 -13.395 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.760 18.604 -12.832 1.00 0.00 H new ATOM 1298 N ASP A 85 7.081 13.163 -13.014 1.00 0.00 N ATOM 1299 CA ASP A 85 6.675 11.804 -13.390 1.00 0.00 C ATOM 1300 C ASP A 85 6.648 11.007 -12.097 1.00 0.00 C ATOM 1301 O ASP A 85 7.011 11.539 -11.072 1.00 0.00 O ATOM 1302 CB ASP A 85 7.684 11.170 -14.375 1.00 0.00 C ATOM 1303 CG ASP A 85 7.141 9.938 -15.114 1.00 0.00 C ATOM 1304 OD1 ASP A 85 6.023 9.454 -14.796 1.00 0.00 O1- ATOM 1305 OD2 ASP A 85 7.808 9.460 -16.045 1.00 0.00 O ATOM 0 H ASP A 85 7.729 13.194 -12.227 1.00 0.00 H new ATOM 0 HA ASP A 85 5.706 11.813 -13.890 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.981 11.920 -15.108 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.583 10.886 -13.827 1.00 0.00 H new ATOM 1310 N HIS A 86 6.242 9.781 -12.127 1.00 0.00 N ATOM 1311 CA HIS A 86 6.232 8.963 -10.920 1.00 0.00 C ATOM 1312 C HIS A 86 7.458 8.095 -10.896 1.00 0.00 C ATOM 1313 O HIS A 86 7.858 7.581 -11.924 1.00 0.00 O ATOM 1314 CB HIS A 86 4.984 8.074 -10.828 1.00 0.00 C ATOM 1315 CG HIS A 86 3.707 8.785 -10.516 1.00 0.00 C ATOM 1316 ND1 HIS A 86 3.075 8.732 -9.285 1.00 0.00 N ATOM 1317 CD2 HIS A 86 2.906 9.520 -11.313 1.00 0.00 C ATOM 1318 CE1 HIS A 86 1.932 9.412 -9.382 1.00 0.00 C ATOM 1319 NE2 HIS A 86 1.780 9.913 -10.597 1.00 0.00 N ATOM 0 H HIS A 86 5.909 9.307 -12.966 1.00 0.00 H new ATOM 0 HA HIS A 86 6.221 9.640 -10.066 1.00 0.00 H new ATOM 0 HB2 HIS A 86 4.864 7.548 -11.775 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.154 7.317 -10.062 1.00 0.00 H new ATOM 0 HD1 HIS A 86 3.422 8.257 -8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.107 9.765 -12.345 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.224 9.537 -8.576 1.00 0.00 H new ATOM 1327 N THR A 87 8.066 7.965 -9.753 1.00 0.00 N ATOM 1328 CA THR A 87 9.219 7.124 -9.604 1.00 0.00 C ATOM 1329 C THR A 87 9.250 6.616 -8.169 1.00 0.00 C ATOM 1330 O THR A 87 8.602 7.189 -7.295 1.00 0.00 O ATOM 1331 CB THR A 87 10.543 7.893 -9.939 1.00 0.00 C ATOM 1332 OG1 THR A 87 11.664 6.982 -9.955 1.00 0.00 O ATOM 1333 CG2 THR A 87 10.821 8.981 -8.904 1.00 0.00 C ATOM 0 H THR A 87 7.777 8.439 -8.897 1.00 0.00 H new ATOM 0 HA THR A 87 9.150 6.291 -10.304 1.00 0.00 H new ATOM 0 HB THR A 87 10.417 8.349 -10.921 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.484 7.476 -10.167 1.00 0.00 H new ATOM 0 HG21 THR A 87 11.745 9.499 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.996 9.693 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.920 8.528 -7.918 1.00 0.00 H new ATOM 1341 N PHE A 88 9.949 5.565 -7.920 1.00 0.00 N ATOM 1342 CA PHE A 88 10.078 5.097 -6.587 1.00 0.00 C ATOM 1343 C PHE A 88 11.503 4.663 -6.390 1.00 0.00 C ATOM 1344 O PHE A 88 12.107 4.087 -7.302 1.00 0.00 O ATOM 1345 CB PHE A 88 9.099 3.951 -6.300 1.00 0.00 C ATOM 1346 CG PHE A 88 8.886 3.708 -4.830 1.00 0.00 C ATOM 1347 CD1 PHE A 88 7.907 4.407 -4.141 1.00 0.00 C ATOM 1348 CD2 PHE A 88 9.661 2.798 -4.138 1.00 0.00 C ATOM 1349 CE1 PHE A 88 7.707 4.202 -2.792 1.00 0.00 C ATOM 1350 CE2 PHE A 88 9.465 2.587 -2.790 1.00 0.00 C ATOM 1351 CZ PHE A 88 8.488 3.291 -2.115 1.00 0.00 C ATOM 0 H PHE A 88 10.440 5.013 -8.623 1.00 0.00 H new ATOM 0 HA PHE A 88 9.830 5.894 -5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 88 8.140 4.175 -6.767 1.00 0.00 H new ATOM 0 HB3 PHE A 88 9.473 3.038 -6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.292 5.122 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.429 2.246 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.941 4.754 -2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.076 1.870 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.336 3.128 -1.058 1.00 0.00 H new ATOM 1361 N TYR A 89 12.061 5.004 -5.262 1.00 0.00 N ATOM 1362 CA TYR A 89 13.407 4.645 -4.929 1.00 0.00 C ATOM 1363 C TYR A 89 13.457 4.527 -3.419 1.00 0.00 C ATOM 1364 O TYR A 89 12.566 5.054 -2.742 1.00 0.00 O ATOM 1365 CB TYR A 89 14.419 5.719 -5.436 1.00 0.00 C ATOM 1366 CG TYR A 89 14.528 6.970 -4.575 1.00 0.00 C ATOM 1367 CD1 TYR A 89 13.519 7.925 -4.532 1.00 0.00 C ATOM 1368 CD2 TYR A 89 15.653 7.174 -3.789 1.00 0.00 C ATOM 1369 CE1 TYR A 89 13.642 9.044 -3.728 1.00 0.00 C ATOM 1370 CE2 TYR A 89 15.776 8.280 -2.988 1.00 0.00 C ATOM 1371 CZ TYR A 89 14.776 9.207 -2.960 1.00 0.00 C ATOM 1372 OH TYR A 89 14.905 10.305 -2.156 1.00 0.00 O ATOM 0 H TYR A 89 11.586 5.546 -4.540 1.00 0.00 H new ATOM 0 HA TYR A 89 13.688 3.707 -5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 89 15.405 5.260 -5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 89 14.133 6.016 -6.445 1.00 0.00 H new ATOM 0 HD1 TYR A 89 12.631 7.792 -5.132 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.450 6.445 -3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.856 9.784 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.660 8.416 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 89 15.762 10.265 -1.683 1.00 0.00 H new ATOM 1382 N ARG A 90 14.429 3.846 -2.892 1.00 0.00 N ATOM 1383 CA ARG A 90 14.569 3.750 -1.459 1.00 0.00 C ATOM 1384 C ARG A 90 15.553 4.796 -0.964 1.00 0.00 C ATOM 1385 O ARG A 90 16.579 5.029 -1.611 1.00 0.00 O ATOM 1386 CB ARG A 90 14.984 2.340 -1.024 1.00 0.00 C ATOM 1387 CG ARG A 90 13.920 1.279 -1.277 1.00 0.00 C ATOM 1388 CD ARG A 90 12.645 1.577 -0.496 1.00 0.00 C ATOM 1389 NE ARG A 90 11.606 0.567 -0.727 1.00 0.00 N ATOM 1390 CZ ARG A 90 10.398 0.567 -0.138 1.00 0.00 C ATOM 1391 NH1 ARG A 90 10.064 1.540 0.718 1.00 0.00 N1+ ATOM 1392 NH2 ARG A 90 9.517 -0.385 -0.432 1.00 0.00 N ATOM 0 H ARG A 90 15.140 3.347 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 90 13.597 3.945 -1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.895 2.060 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 90 15.224 2.354 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.694 1.234 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.304 0.300 -0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.875 1.623 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.266 2.558 -0.783 1.00 0.00 H new ATOM 0 HE ARG A 90 11.815 -0.188 -1.380 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.728 2.286 0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.146 1.535 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.759 -1.114 -1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.600 -0.386 0.014 1.00 0.00 H new ATOM 1406 N PRO A 91 15.230 5.476 0.155 1.00 0.00 N ATOM 1407 CA PRO A 91 16.082 6.520 0.736 1.00 0.00 C ATOM 1408 C PRO A 91 17.504 6.034 1.026 1.00 0.00 C ATOM 1409 O PRO A 91 17.718 4.878 1.422 1.00 0.00 O ATOM 1410 CB PRO A 91 15.368 6.901 2.046 1.00 0.00 C ATOM 1411 CG PRO A 91 14.374 5.822 2.285 1.00 0.00 C ATOM 1412 CD PRO A 91 14.001 5.294 0.939 1.00 0.00 C ATOM 0 HA PRO A 91 16.205 7.356 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.076 6.973 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.880 7.872 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.797 5.034 2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 91 13.499 6.208 2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 91 13.704 4.246 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 91 13.164 5.843 0.509 1.00 0.00 H new ATOM 1420 N LYS A 92 18.453 6.908 0.821 1.00 0.00 N ATOM 1421 CA LYS A 92 19.852 6.596 1.010 1.00 0.00 C ATOM 1422 C LYS A 92 20.217 6.816 2.479 1.00 0.00 C ATOM 1423 O LYS A 92 19.815 7.817 3.079 1.00 0.00 O ATOM 1424 CB LYS A 92 20.667 7.521 0.102 1.00 0.00 C ATOM 1425 CG LYS A 92 20.241 7.434 -1.368 1.00 0.00 C ATOM 1426 CD LYS A 92 20.880 8.515 -2.243 1.00 0.00 C ATOM 1427 CE LYS A 92 22.392 8.381 -2.340 1.00 0.00 C ATOM 1428 NZ LYS A 92 22.809 7.095 -2.945 1.00 0.00 N1+ ATOM 0 H LYS A 92 18.280 7.866 0.516 1.00 0.00 H new ATOM 0 HA LYS A 92 20.064 5.558 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.559 8.549 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.724 7.266 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 92 20.508 6.453 -1.760 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.156 7.518 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.451 8.466 -3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 92 20.633 9.496 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.789 9.204 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 92 22.826 8.468 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 23.829 7.120 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.604 6.318 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.286 6.943 -3.831 1.00 0.00 H new ATOM 1442 N ARG A 93 21.004 5.918 3.047 1.00 0.00 N ATOM 1443 CA ARG A 93 21.329 5.992 4.467 1.00 0.00 C ATOM 1444 C ARG A 93 22.252 7.155 4.792 1.00 0.00 C ATOM 1445 O ARG A 93 22.080 7.793 5.822 1.00 0.00 O ATOM 1446 CB ARG A 93 21.842 4.624 5.032 1.00 0.00 C ATOM 1447 CG ARG A 93 22.117 4.595 6.555 1.00 0.00 C ATOM 1448 CD ARG A 93 23.467 5.200 6.931 1.00 0.00 C ATOM 1449 NE ARG A 93 23.560 5.527 8.356 1.00 0.00 N ATOM 1450 CZ ARG A 93 24.684 5.864 8.988 1.00 0.00 C ATOM 1451 NH1 ARG A 93 25.844 5.863 8.331 1.00 0.00 N1+ ATOM 1452 NH2 ARG A 93 24.642 6.205 10.274 1.00 0.00 N ATOM 0 H ARG A 93 21.429 5.133 2.553 1.00 0.00 H new ATOM 0 HA ARG A 93 20.396 6.200 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 93 21.106 3.855 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 93 22.760 4.356 4.509 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.326 5.138 7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.077 3.564 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 93 24.260 4.499 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 93 23.633 6.103 6.343 1.00 0.00 H new ATOM 0 HE ARG A 93 22.701 5.494 8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 93 25.871 5.604 7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 93 26.704 6.121 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 93 23.752 6.208 10.772 1.00 0.00 H new ATOM 0 HH22 ARG A 93 25.500 6.464 10.761 1.00 0.00 H new ATOM 1466 N SER A 94 23.199 7.466 3.915 1.00 0.00 N ATOM 1467 CA SER A 94 24.134 8.572 4.177 1.00 0.00 C ATOM 1468 C SER A 94 23.385 9.904 4.314 1.00 0.00 C ATOM 1469 O SER A 94 23.861 10.836 4.949 1.00 0.00 O ATOM 1470 CB SER A 94 25.217 8.667 3.086 1.00 0.00 C ATOM 1471 OG SER A 94 26.205 9.657 3.387 1.00 0.00 O ATOM 0 H SER A 94 23.345 6.982 3.029 1.00 0.00 H new ATOM 0 HA SER A 94 24.633 8.360 5.123 1.00 0.00 H new ATOM 0 HB2 SER A 94 25.701 7.697 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.748 8.904 2.131 1.00 0.00 H new ATOM 0 HG SER A 94 26.394 10.186 2.584 1.00 0.00 H new ATOM 1477 N LEU A 95 22.190 9.963 3.780 1.00 0.00 N ATOM 1478 CA LEU A 95 21.420 11.164 3.834 1.00 0.00 C ATOM 1479 C LEU A 95 20.260 11.040 4.816 1.00 0.00 C ATOM 1480 O LEU A 95 19.369 11.866 4.792 1.00 0.00 O ATOM 1481 CB LEU A 95 20.888 11.522 2.440 1.00 0.00 C ATOM 1482 CG LEU A 95 21.933 11.786 1.352 1.00 0.00 C ATOM 1483 CD1 LEU A 95 21.247 12.141 0.046 1.00 0.00 C ATOM 1484 CD2 LEU A 95 22.893 12.893 1.773 1.00 0.00 C ATOM 0 H LEU A 95 21.735 9.185 3.303 1.00 0.00 H new ATOM 0 HA LEU A 95 22.077 11.961 4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 95 20.243 10.710 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.261 12.409 2.532 1.00 0.00 H new ATOM 0 HG LEU A 95 22.516 10.876 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 95 21.999 12.327 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.607 11.315 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 95 20.641 13.036 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 95 23.625 13.060 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 95 22.334 13.812 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 95 23.408 12.600 2.688 1.00 0.00 H new ATOM 1496 N GLN A 96 20.294 10.045 5.718 1.00 0.00 N ATOM 1497 CA GLN A 96 19.169 9.823 6.653 1.00 0.00 C ATOM 1498 C GLN A 96 18.824 11.053 7.487 1.00 0.00 C ATOM 1499 O GLN A 96 17.656 11.432 7.589 1.00 0.00 O ATOM 1500 CB GLN A 96 19.354 8.600 7.546 1.00 0.00 C ATOM 1501 CG GLN A 96 20.580 8.595 8.453 1.00 0.00 C ATOM 1502 CD GLN A 96 20.535 7.443 9.436 1.00 0.00 C ATOM 1503 OE1 GLN A 96 21.561 6.890 9.819 1.00 0.00 O ATOM 1504 NE2 GLN A 96 19.354 7.116 9.893 1.00 0.00 N ATOM 0 H GLN A 96 21.070 9.391 5.822 1.00 0.00 H new ATOM 0 HA GLN A 96 18.317 9.622 6.003 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.467 8.498 8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.398 7.717 6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 96 21.483 8.523 7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 96 20.636 9.538 8.997 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.523 7.598 9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.264 6.379 10.592 1.00 0.00 H new ATOM 1513 N LYS A 97 19.843 11.712 8.028 1.00 0.00 N ATOM 1514 CA LYS A 97 19.627 12.913 8.811 1.00 0.00 C ATOM 1515 C LYS A 97 19.149 14.055 7.939 1.00 0.00 C ATOM 1516 O LYS A 97 18.503 14.958 8.417 1.00 0.00 O ATOM 1517 CB LYS A 97 20.872 13.320 9.594 1.00 0.00 C ATOM 1518 CG LYS A 97 21.243 12.401 10.751 1.00 0.00 C ATOM 1519 CD LYS A 97 20.186 12.406 11.862 1.00 0.00 C ATOM 1520 CE LYS A 97 19.963 13.810 12.418 1.00 0.00 C ATOM 1521 NZ LYS A 97 18.958 13.850 13.492 1.00 0.00 N1+ ATOM 0 H LYS A 97 20.820 11.433 7.937 1.00 0.00 H new ATOM 0 HA LYS A 97 18.846 12.682 9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 97 21.715 13.368 8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.722 14.327 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 97 21.370 11.385 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 97 22.203 12.711 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.246 12.015 11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 97 20.500 11.741 12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.908 14.199 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.649 14.470 11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 19.184 14.622 14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.016 14.011 13.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 18.962 12.945 14.005 1.00 0.00 H new ATOM 1535 N TYR A 98 19.464 13.994 6.656 1.00 0.00 N ATOM 1536 CA TYR A 98 19.006 14.986 5.708 1.00 0.00 C ATOM 1537 C TYR A 98 17.490 14.791 5.502 1.00 0.00 C ATOM 1538 O TYR A 98 16.734 15.742 5.599 1.00 0.00 O ATOM 1539 CB TYR A 98 19.804 14.875 4.367 1.00 0.00 C ATOM 1540 CG TYR A 98 19.396 15.854 3.263 1.00 0.00 C ATOM 1541 CD1 TYR A 98 18.258 15.629 2.493 1.00 0.00 C ATOM 1542 CD2 TYR A 98 20.146 17.002 2.992 1.00 0.00 C ATOM 1543 CE1 TYR A 98 17.879 16.504 1.501 1.00 0.00 C ATOM 1544 CE2 TYR A 98 19.763 17.881 1.997 1.00 0.00 C ATOM 1545 CZ TYR A 98 18.629 17.622 1.257 1.00 0.00 C ATOM 1546 OH TYR A 98 18.240 18.497 0.281 1.00 0.00 O ATOM 0 H TYR A 98 20.041 13.259 6.248 1.00 0.00 H new ATOM 0 HA TYR A 98 19.184 15.991 6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 98 20.862 15.022 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 98 19.695 13.860 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 98 17.660 14.749 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 98 21.037 17.205 3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 98 16.992 16.309 0.917 1.00 0.00 H new ATOM 0 HE2 TYR A 98 20.349 18.766 1.800 1.00 0.00 H new ATOM 0 HH TYR A 98 17.264 18.479 0.196 1.00 0.00 H new ATOM 1556 N TYR A 99 17.066 13.533 5.281 1.00 0.00 N ATOM 1557 CA TYR A 99 15.635 13.200 5.076 1.00 0.00 C ATOM 1558 C TYR A 99 14.794 13.577 6.293 1.00 0.00 C ATOM 1559 O TYR A 99 13.755 14.243 6.161 1.00 0.00 O ATOM 1560 CB TYR A 99 15.403 11.701 4.788 1.00 0.00 C ATOM 1561 CG TYR A 99 15.965 11.154 3.484 1.00 0.00 C ATOM 1562 CD1 TYR A 99 15.305 11.329 2.276 1.00 0.00 C ATOM 1563 CD2 TYR A 99 17.123 10.424 3.479 1.00 0.00 C ATOM 1564 CE1 TYR A 99 15.809 10.782 1.108 1.00 0.00 C ATOM 1565 CE2 TYR A 99 17.634 9.889 2.330 1.00 0.00 C ATOM 1566 CZ TYR A 99 16.982 10.064 1.150 1.00 0.00 C ATOM 1567 OH TYR A 99 17.499 9.496 0.009 1.00 0.00 O ATOM 0 H TYR A 99 17.690 12.727 5.239 1.00 0.00 H new ATOM 0 HA TYR A 99 15.329 13.780 4.206 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.833 11.128 5.609 1.00 0.00 H new ATOM 0 HB3 TYR A 99 14.329 11.516 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.388 11.898 2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 99 17.648 10.266 4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.286 10.918 0.173 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.556 9.327 2.359 1.00 0.00 H new ATOM 0 HH TYR A 99 18.445 9.738 -0.078 1.00 0.00 H new ATOM 1577 N GLU A 100 15.233 13.153 7.482 1.00 0.00 N ATOM 1578 CA GLU A 100 14.481 13.454 8.692 1.00 0.00 C ATOM 1579 C GLU A 100 14.460 14.953 9.002 1.00 0.00 C ATOM 1580 O GLU A 100 13.470 15.467 9.517 1.00 0.00 O ATOM 1581 CB GLU A 100 14.911 12.624 9.923 1.00 0.00 C ATOM 1582 CG GLU A 100 16.384 12.667 10.265 1.00 0.00 C ATOM 1583 CD GLU A 100 16.634 12.433 11.727 1.00 0.00 C ATOM 1584 OE1 GLU A 100 16.517 13.395 12.517 1.00 0.00 O ATOM 1585 OE2 GLU A 100 17.007 11.333 12.116 1.00 0.00 O1- ATOM 0 H GLU A 100 16.086 12.613 7.626 1.00 0.00 H new ATOM 0 HA GLU A 100 13.459 13.146 8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.346 12.973 10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.627 11.585 9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.913 11.912 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.794 13.636 9.979 1.00 0.00 H new ATOM 1592 N ALA A 101 15.539 15.652 8.671 1.00 0.00 N ATOM 1593 CA ALA A 101 15.599 17.098 8.872 1.00 0.00 C ATOM 1594 C ALA A 101 14.621 17.787 7.938 1.00 0.00 C ATOM 1595 O ALA A 101 13.906 18.702 8.339 1.00 0.00 O ATOM 1596 CB ALA A 101 17.010 17.626 8.647 1.00 0.00 C ATOM 0 H ALA A 101 16.381 15.245 8.264 1.00 0.00 H new ATOM 0 HA ALA A 101 15.323 17.315 9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 101 17.024 18.705 8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.693 17.148 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 101 17.324 17.403 7.627 1.00 0.00 H new ATOM 1602 N VAL A 102 14.580 17.316 6.701 1.00 0.00 N ATOM 1603 CA VAL A 102 13.672 17.841 5.707 1.00 0.00 C ATOM 1604 C VAL A 102 12.223 17.655 6.125 1.00 0.00 C ATOM 1605 O VAL A 102 11.464 18.628 6.181 1.00 0.00 O ATOM 1606 CB VAL A 102 13.906 17.200 4.307 1.00 0.00 C ATOM 1607 CG1 VAL A 102 12.762 17.522 3.361 1.00 0.00 C ATOM 1608 CG2 VAL A 102 15.202 17.710 3.706 1.00 0.00 C ATOM 0 H VAL A 102 15.176 16.560 6.364 1.00 0.00 H new ATOM 0 HA VAL A 102 13.880 18.908 5.631 1.00 0.00 H new ATOM 0 HB VAL A 102 13.961 16.120 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.951 17.062 2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.830 17.133 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 102 12.682 18.602 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.354 17.254 2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.151 18.793 3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.034 17.449 4.360 1.00 0.00 H new ATOM 1618 N LYS A 103 11.846 16.426 6.468 1.00 0.00 N ATOM 1619 CA LYS A 103 10.457 16.163 6.766 1.00 0.00 C ATOM 1620 C LYS A 103 10.007 16.889 8.017 1.00 0.00 C ATOM 1621 O LYS A 103 8.861 17.203 8.127 1.00 0.00 O ATOM 1622 CB LYS A 103 10.117 14.679 6.842 1.00 0.00 C ATOM 1623 CG LYS A 103 10.562 13.992 8.105 1.00 0.00 C ATOM 1624 CD LYS A 103 10.137 12.526 8.166 1.00 0.00 C ATOM 1625 CE LYS A 103 10.866 11.596 7.152 1.00 0.00 C ATOM 1626 NZ LYS A 103 10.450 11.755 5.722 1.00 0.00 N1+ ATOM 0 H LYS A 103 12.469 15.622 6.543 1.00 0.00 H new ATOM 0 HA LYS A 103 9.898 16.559 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.038 14.563 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.572 14.173 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.647 14.054 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.150 14.521 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.314 12.152 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.063 12.465 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.938 11.778 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.698 10.561 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.297 10.817 5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.568 12.304 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.196 12.254 5.197 1.00 0.00 H new ATOM 1640 N GLU A 104 10.933 17.161 8.946 1.00 0.00 N ATOM 1641 CA GLU A 104 10.630 17.951 10.144 1.00 0.00 C ATOM 1642 C GLU A 104 10.014 19.289 9.776 1.00 0.00 C ATOM 1643 O GLU A 104 8.931 19.631 10.244 1.00 0.00 O ATOM 1644 CB GLU A 104 11.895 18.184 10.974 1.00 0.00 C ATOM 1645 CG GLU A 104 12.205 17.092 11.971 1.00 0.00 C ATOM 1646 CD GLU A 104 11.208 17.069 13.098 1.00 0.00 C ATOM 1647 OE1 GLU A 104 11.413 17.796 14.104 1.00 0.00 O1- ATOM 1648 OE2 GLU A 104 10.203 16.355 13.006 1.00 0.00 O ATOM 0 H GLU A 104 11.901 16.844 8.889 1.00 0.00 H new ATOM 0 HA GLU A 104 9.912 17.384 10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.743 18.291 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.793 19.128 11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.205 16.126 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.207 17.241 12.374 1.00 0.00 H new ATOM 1655 N GLU A 105 10.675 19.995 8.881 1.00 0.00 N ATOM 1656 CA GLU A 105 10.267 21.330 8.455 1.00 0.00 C ATOM 1657 C GLU A 105 8.934 21.294 7.725 1.00 0.00 C ATOM 1658 O GLU A 105 8.205 22.290 7.675 1.00 0.00 O ATOM 1659 CB GLU A 105 11.320 21.911 7.536 1.00 0.00 C ATOM 1660 CG GLU A 105 12.704 21.938 8.139 1.00 0.00 C ATOM 1661 CD GLU A 105 12.834 22.874 9.315 1.00 0.00 C ATOM 1662 OE1 GLU A 105 12.402 22.536 10.435 1.00 0.00 O ATOM 1663 OE2 GLU A 105 13.433 23.949 9.149 1.00 0.00 O1- ATOM 0 H GLU A 105 11.521 19.659 8.420 1.00 0.00 H new ATOM 0 HA GLU A 105 10.157 21.950 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.346 21.329 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.032 22.926 7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 105 12.972 20.930 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.420 22.232 7.371 1.00 0.00 H new ATOM 1670 N LEU A 106 8.626 20.163 7.160 1.00 0.00 N ATOM 1671 CA LEU A 106 7.394 19.987 6.424 1.00 0.00 C ATOM 1672 C LEU A 106 6.311 19.554 7.386 1.00 0.00 C ATOM 1673 O LEU A 106 5.161 19.987 7.300 1.00 0.00 O ATOM 1674 CB LEU A 106 7.585 18.913 5.359 1.00 0.00 C ATOM 1675 CG LEU A 106 8.859 19.026 4.526 1.00 0.00 C ATOM 1676 CD1 LEU A 106 8.909 17.959 3.473 1.00 0.00 C ATOM 1677 CD2 LEU A 106 9.007 20.402 3.912 1.00 0.00 C ATOM 0 H LEU A 106 9.217 19.333 7.193 1.00 0.00 H new ATOM 0 HA LEU A 106 7.113 20.924 5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.577 17.938 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.729 18.939 4.685 1.00 0.00 H new ATOM 0 HG LEU A 106 9.703 18.878 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.827 18.062 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.888 16.978 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.049 18.060 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.926 20.442 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.155 20.605 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.047 21.151 4.703 1.00 0.00 H new ATOM 1689 N ASP A 107 6.714 18.730 8.340 1.00 0.00 N ATOM 1690 CA ASP A 107 5.837 18.161 9.354 1.00 0.00 C ATOM 1691 C ASP A 107 5.232 19.220 10.233 1.00 0.00 C ATOM 1692 O ASP A 107 4.187 19.015 10.793 1.00 0.00 O ATOM 1693 CB ASP A 107 6.540 17.024 10.152 1.00 0.00 C ATOM 1694 CG ASP A 107 5.723 16.448 11.277 1.00 0.00 C ATOM 1695 OD1 ASP A 107 4.753 15.712 11.006 1.00 0.00 O ATOM 1696 OD2 ASP A 107 6.099 16.645 12.461 1.00 0.00 O1- ATOM 0 H ASP A 107 7.684 18.430 8.434 1.00 0.00 H new ATOM 0 HA ASP A 107 4.999 17.692 8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.800 16.221 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.475 17.409 10.560 1.00 0.00 H new ATOM 1701 N ARG A 108 5.856 20.401 10.249 1.00 0.00 N ATOM 1702 CA ARG A 108 5.336 21.568 10.990 1.00 0.00 C ATOM 1703 C ARG A 108 3.935 21.932 10.456 1.00 0.00 C ATOM 1704 O ARG A 108 3.121 22.531 11.159 1.00 0.00 O ATOM 1705 CB ARG A 108 6.219 22.800 10.767 1.00 0.00 C ATOM 1706 CG ARG A 108 7.719 22.589 10.840 1.00 0.00 C ATOM 1707 CD ARG A 108 8.219 22.058 12.168 1.00 0.00 C ATOM 1708 NE ARG A 108 9.690 22.010 12.148 1.00 0.00 N ATOM 1709 CZ ARG A 108 10.472 21.134 12.791 1.00 0.00 C ATOM 1710 NH1 ARG A 108 9.948 20.182 13.561 1.00 0.00 N1+ ATOM 1711 NH2 ARG A 108 11.774 21.177 12.593 1.00 0.00 N ATOM 0 H ARG A 108 6.730 20.581 9.755 1.00 0.00 H new ATOM 0 HA ARG A 108 5.314 21.302 12.047 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.982 23.215 9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 108 5.945 23.552 11.507 1.00 0.00 H new ATOM 0 HG2 ARG A 108 8.014 21.895 10.053 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.216 23.537 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 108 7.875 22.697 12.981 1.00 0.00 H new ATOM 0 HD3 ARG A 108 7.813 21.063 12.351 1.00 0.00 H new ATOM 0 HE ARG A 108 10.163 22.718 11.586 1.00 0.00 H new ATOM 0 HH11 ARG A 108 8.936 20.112 13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.559 19.523 14.044 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.171 21.870 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.385 20.517 13.074 1.00 0.00 H new ATOM 1725 N ASP A 109 3.702 21.600 9.182 1.00 0.00 N ATOM 1726 CA ASP A 109 2.431 21.864 8.519 1.00 0.00 C ATOM 1727 C ASP A 109 1.586 20.610 8.512 1.00 0.00 C ATOM 1728 O ASP A 109 0.361 20.672 8.686 1.00 0.00 O ATOM 1729 CB ASP A 109 2.659 22.297 7.066 1.00 0.00 C ATOM 1730 CG ASP A 109 1.385 22.784 6.389 1.00 0.00 C ATOM 1731 OD1 ASP A 109 0.614 21.969 5.842 1.00 0.00 O1- ATOM 1732 OD2 ASP A 109 1.142 24.011 6.403 1.00 0.00 O ATOM 0 H ASP A 109 4.391 21.141 8.586 1.00 0.00 H new ATOM 0 HA ASP A 109 1.925 22.661 9.064 1.00 0.00 H new ATOM 0 HB2 ASP A 109 3.405 23.092 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.067 21.459 6.502 1.00 0.00 H new ATOM 1737 N ILE A 110 2.254 19.468 8.277 1.00 0.00 N ATOM 1738 CA ILE A 110 1.604 18.144 8.215 1.00 0.00 C ATOM 1739 C ILE A 110 0.837 17.897 9.492 1.00 0.00 C ATOM 1740 O ILE A 110 -0.345 17.508 9.471 1.00 0.00 O ATOM 1741 CB ILE A 110 2.637 17.004 8.034 1.00 0.00 C ATOM 1742 CG1 ILE A 110 3.528 17.281 6.825 1.00 0.00 C ATOM 1743 CG2 ILE A 110 1.925 15.659 7.870 1.00 0.00 C ATOM 1744 CD1 ILE A 110 4.651 16.285 6.650 1.00 0.00 C ATOM 0 H ILE A 110 3.262 19.435 8.124 1.00 0.00 H new ATOM 0 HA ILE A 110 0.935 18.147 7.354 1.00 0.00 H new ATOM 0 HB ILE A 110 3.263 16.960 8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 110 2.913 17.282 5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.953 18.280 6.921 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.665 14.869 7.744 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.324 15.455 8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.279 15.694 6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.238 16.550 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.291 16.300 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.234 15.286 6.521 1.00 0.00 H new ATOM 1973 N ILE B 206 25.351 15.360 8.667 1.00 0.00 N ATOM 1974 CA ILE B 206 25.454 15.444 7.225 1.00 0.00 C ATOM 1975 C ILE B 206 26.171 16.720 6.880 1.00 0.00 C ATOM 1976 O ILE B 206 26.008 17.739 7.569 1.00 0.00 O ATOM 1977 CB ILE B 206 24.061 15.465 6.526 1.00 0.00 C ATOM 1978 CG1 ILE B 206 23.091 14.475 7.168 1.00 0.00 C ATOM 1979 CG2 ILE B 206 24.197 15.141 5.037 1.00 0.00 C ATOM 1980 CD1 ILE B 206 23.546 13.028 7.124 1.00 0.00 C ATOM 0 HA ILE B 206 25.990 14.561 6.876 1.00 0.00 H new ATOM 0 HB ILE B 206 23.660 16.472 6.646 1.00 0.00 H new ATOM 0 HG12 ILE B 206 22.935 14.762 8.208 1.00 0.00 H new ATOM 0 HG13 ILE B 206 22.126 14.554 6.667 1.00 0.00 H new ATOM 0 HG21 ILE B 206 23.213 15.161 4.569 1.00 0.00 H new ATOM 0 HG22 ILE B 206 24.840 15.881 4.561 1.00 0.00 H new ATOM 0 HG23 ILE B 206 24.635 14.150 4.919 1.00 0.00 H new ATOM 0 HD11 ILE B 206 22.797 12.396 7.602 1.00 0.00 H new ATOM 0 HD12 ILE B 206 23.674 12.718 6.087 1.00 0.00 H new ATOM 0 HD13 ILE B 206 24.495 12.929 7.652 1.00 0.00 H new ATOM 1992 N ASP B 207 26.918 16.680 5.828 1.00 0.00 N ATOM 1993 CA ASP B 207 27.732 17.792 5.403 1.00 0.00 C ATOM 1994 C ASP B 207 26.878 18.842 4.700 1.00 0.00 C ATOM 1995 O ASP B 207 27.168 20.037 4.752 1.00 0.00 O ATOM 1996 CB ASP B 207 28.797 17.258 4.478 1.00 0.00 C ATOM 1997 CG ASP B 207 29.991 18.179 4.332 1.00 0.00 C ATOM 1998 OD1 ASP B 207 30.888 18.152 5.205 1.00 0.00 O1- ATOM 1999 OD2 ASP B 207 30.084 18.919 3.350 1.00 0.00 O ATOM 0 H ASP B 207 26.988 15.863 5.222 1.00 0.00 H new ATOM 0 HA ASP B 207 28.194 18.274 6.264 1.00 0.00 H new ATOM 0 HB2 ASP B 207 29.138 16.291 4.849 1.00 0.00 H new ATOM 0 HB3 ASP B 207 28.359 17.086 3.495 1.00 0.00 H new ATOM 2004 N ILE B 208 25.794 18.389 4.083 1.00 0.00 N ATOM 2005 CA ILE B 208 24.884 19.284 3.384 1.00 0.00 C ATOM 2006 C ILE B 208 23.836 19.890 4.297 1.00 0.00 C ATOM 2007 O ILE B 208 23.918 21.070 4.624 1.00 0.00 O ATOM 2008 CB ILE B 208 24.185 18.649 2.149 1.00 0.00 C ATOM 2009 CG1 ILE B 208 24.261 17.114 2.149 1.00 0.00 C ATOM 2010 CG2 ILE B 208 24.728 19.222 0.874 1.00 0.00 C ATOM 2011 CD1 ILE B 208 23.546 16.456 0.981 1.00 0.00 C ATOM 0 H ILE B 208 25.524 17.406 4.053 1.00 0.00 H new ATOM 0 HA ILE B 208 25.538 20.076 3.018 1.00 0.00 H new ATOM 0 HB ILE B 208 23.128 18.905 2.218 1.00 0.00 H new ATOM 0 HG12 ILE B 208 25.309 16.813 2.136 1.00 0.00 H new ATOM 0 HG13 ILE B 208 23.834 16.740 3.079 1.00 0.00 H new ATOM 0 HG21 ILE B 208 24.223 18.762 0.024 1.00 0.00 H new ATOM 0 HG22 ILE B 208 24.558 20.299 0.858 1.00 0.00 H new ATOM 0 HG23 ILE B 208 25.798 19.022 0.812 1.00 0.00 H new ATOM 0 HD11 ILE B 208 23.647 15.373 1.056 1.00 0.00 H new ATOM 0 HD12 ILE B 208 22.490 16.724 1.003 1.00 0.00 H new ATOM 0 HD13 ILE B 208 23.987 16.798 0.045 1.00 0.00 H new ATOM 2023 N MET B 209 22.855 19.059 4.714 1.00 0.00 N ATOM 2024 CA MET B 209 21.695 19.502 5.532 1.00 0.00 C ATOM 2025 C MET B 209 20.725 20.343 4.643 1.00 0.00 C ATOM 2026 O MET B 209 21.118 20.806 3.562 1.00 0.00 O ATOM 2027 CB MET B 209 22.153 20.248 6.826 1.00 0.00 C ATOM 2028 CG MET B 209 22.957 19.382 7.822 1.00 0.00 C ATOM 2029 SD MET B 209 21.978 18.475 9.069 1.00 0.00 S ATOM 2030 CE MET B 209 20.975 17.358 8.099 1.00 0.00 C ATOM 0 H MET B 209 22.841 18.063 4.495 1.00 0.00 H new ATOM 0 HA MET B 209 21.146 18.630 5.886 1.00 0.00 H new ATOM 0 HB2 MET B 209 22.761 21.106 6.538 1.00 0.00 H new ATOM 0 HB3 MET B 209 21.272 20.639 7.335 1.00 0.00 H new ATOM 0 HG2 MET B 209 23.543 18.660 7.254 1.00 0.00 H new ATOM 0 HG3 MET B 209 23.665 20.026 8.344 1.00 0.00 H new ATOM 0 HE1 MET B 209 20.698 16.497 8.707 1.00 0.00 H new ATOM 0 HE2 MET B 209 20.074 17.873 7.767 1.00 0.00 H new ATOM 0 HE3 MET B 209 21.541 17.022 7.231 1.00 0.00 H new ATOM 2040 N PRO B 210 19.444 20.492 5.018 1.00 0.00 N ATOM 2041 CA PRO B 210 18.464 21.196 4.173 1.00 0.00 C ATOM 2042 C PRO B 210 18.633 22.731 4.130 1.00 0.00 C ATOM 2043 O PRO B 210 19.278 23.345 5.013 1.00 0.00 O ATOM 2044 CB PRO B 210 17.132 20.823 4.811 1.00 0.00 C ATOM 2045 CG PRO B 210 17.447 20.594 6.241 1.00 0.00 C ATOM 2046 CD PRO B 210 18.819 19.987 6.264 1.00 0.00 C ATOM 0 HA PRO B 210 18.572 20.903 3.129 1.00 0.00 H new ATOM 0 HB2 PRO B 210 16.399 21.620 4.690 1.00 0.00 H new ATOM 0 HB3 PRO B 210 16.710 19.930 4.351 1.00 0.00 H new ATOM 0 HG2 PRO B 210 17.423 21.529 6.801 1.00 0.00 H new ATOM 0 HG3 PRO B 210 16.717 19.928 6.701 1.00 0.00 H new ATOM 0 HD2 PRO B 210 19.379 20.295 7.147 1.00 0.00 H new ATOM 0 HD3 PRO B 210 18.776 18.898 6.278 1.00 0.00 H new ATOM 2054 N ASP B 211 18.082 23.329 3.096 1.00 0.00 N ATOM 2055 CA ASP B 211 18.083 24.781 2.918 1.00 0.00 C ATOM 2056 C ASP B 211 16.717 25.378 3.209 1.00 0.00 C ATOM 2057 O ASP B 211 16.520 26.011 4.249 1.00 0.00 O ATOM 2058 CB ASP B 211 18.509 25.187 1.499 1.00 0.00 C ATOM 2059 CG ASP B 211 19.985 25.448 1.342 1.00 0.00 C ATOM 2060 OD1 ASP B 211 20.768 24.498 1.198 1.00 0.00 O1- ATOM 2061 OD2 ASP B 211 20.382 26.648 1.331 1.00 0.00 O ATOM 0 H ASP B 211 17.614 22.824 2.343 1.00 0.00 H new ATOM 0 HA ASP B 211 18.810 25.172 3.630 1.00 0.00 H new ATOM 0 HB2 ASP B 211 18.216 24.399 0.806 1.00 0.00 H new ATOM 0 HB3 ASP B 211 17.961 26.084 1.211 1.00 0.00 H new ATOM 2066 N PHE B 212 15.763 25.107 2.313 1.00 0.00 N ATOM 2067 CA PHE B 212 14.398 25.668 2.343 1.00 0.00 C ATOM 2068 C PHE B 212 14.386 27.185 2.158 1.00 0.00 C ATOM 2069 O PHE B 212 14.509 27.951 3.116 1.00 0.00 O ATOM 2070 CB PHE B 212 13.606 25.280 3.594 1.00 0.00 C ATOM 2071 CG PHE B 212 13.406 23.814 3.760 1.00 0.00 C ATOM 2072 CD1 PHE B 212 12.532 23.128 2.943 1.00 0.00 C ATOM 2073 CD2 PHE B 212 14.080 23.125 4.740 1.00 0.00 C ATOM 2074 CE1 PHE B 212 12.339 21.777 3.106 1.00 0.00 C ATOM 2075 CE2 PHE B 212 13.890 21.778 4.903 1.00 0.00 C ATOM 2076 CZ PHE B 212 13.020 21.106 4.089 1.00 0.00 C ATOM 0 H PHE B 212 15.917 24.477 1.526 1.00 0.00 H new ATOM 0 HA PHE B 212 13.894 25.215 1.490 1.00 0.00 H new ATOM 0 HB2 PHE B 212 14.123 25.666 4.472 1.00 0.00 H new ATOM 0 HB3 PHE B 212 12.631 25.767 3.559 1.00 0.00 H new ATOM 0 HD1 PHE B 212 11.995 23.656 2.169 1.00 0.00 H new ATOM 0 HD2 PHE B 212 14.766 23.651 5.388 1.00 0.00 H new ATOM 0 HE1 PHE B 212 11.654 21.246 2.462 1.00 0.00 H new ATOM 0 HE2 PHE B 212 14.427 21.247 5.674 1.00 0.00 H new ATOM 0 HZ PHE B 212 12.869 20.045 4.221 1.00 0.00 H new ATOM 2086 N SER B 213 14.286 27.610 0.924 1.00 0.00 N ATOM 2087 CA SER B 213 14.243 29.014 0.565 1.00 0.00 C ATOM 2088 C SER B 213 13.567 29.097 -0.812 1.00 0.00 C ATOM 2089 O SER B 213 13.534 28.092 -1.505 1.00 0.00 O ATOM 2090 CB SER B 213 15.686 29.556 0.464 1.00 0.00 C ATOM 2091 OG SER B 213 16.436 29.296 1.653 1.00 0.00 O ATOM 0 H SER B 213 14.231 26.982 0.122 1.00 0.00 H new ATOM 0 HA SER B 213 13.699 29.599 1.307 1.00 0.00 H new ATOM 0 HB2 SER B 213 16.187 29.098 -0.389 1.00 0.00 H new ATOM 0 HB3 SER B 213 15.659 30.630 0.279 1.00 0.00 H new ATOM 0 HG SER B 213 17.344 29.652 1.552 1.00 0.00 H new ATOM 2097 N PRO B 214 12.957 30.220 -1.193 1.00 0.00 N ATOM 2098 CA PRO B 214 12.421 30.388 -2.542 1.00 0.00 C ATOM 2099 C PRO B 214 13.424 31.102 -3.458 1.00 0.00 C ATOM 2100 O PRO B 214 14.057 32.094 -3.050 1.00 0.00 O ATOM 2101 CB PRO B 214 11.204 31.291 -2.319 1.00 0.00 C ATOM 2102 CG PRO B 214 11.422 31.978 -0.989 1.00 0.00 C ATOM 2103 CD PRO B 214 12.674 31.395 -0.359 1.00 0.00 C ATOM 0 HA PRO B 214 12.192 29.436 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO B 214 11.109 32.021 -3.123 1.00 0.00 H new ATOM 0 HB3 PRO B 214 10.284 30.707 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO B 214 11.531 33.053 -1.129 1.00 0.00 H new ATOM 0 HG3 PRO B 214 10.562 31.827 -0.337 1.00 0.00 H new ATOM 0 HD2 PRO B 214 13.500 32.106 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO B 214 12.509 31.119 0.682 1.00 0.00 H new ATOM 2111 N SER B 215 13.595 30.633 -4.664 1.00 0.00 N ATOM 2112 CA SER B 215 14.470 31.311 -5.550 1.00 0.00 C ATOM 2113 C SER B 215 13.645 32.336 -6.312 1.00 0.00 C ATOM 2114 O SER B 215 12.622 32.019 -6.888 1.00 0.00 O ATOM 2115 CB SER B 215 15.144 30.352 -6.519 1.00 0.00 C ATOM 2116 OG SER B 215 15.364 29.117 -5.896 1.00 0.00 O ATOM 0 H SER B 215 13.145 29.799 -5.041 1.00 0.00 H new ATOM 0 HA SER B 215 15.265 31.793 -4.981 1.00 0.00 H new ATOM 0 HB2 SER B 215 14.520 30.217 -7.403 1.00 0.00 H new ATOM 0 HB3 SER B 215 16.091 30.771 -6.859 1.00 0.00 H new ATOM 0 HG SER B 215 14.527 28.608 -5.874 1.00 0.00 H new ATOM 2122 N GLY B 216 14.096 33.533 -6.291 1.00 0.00 N ATOM 2123 CA GLY B 216 13.473 34.675 -6.924 1.00 0.00 C ATOM 2124 C GLY B 216 13.312 34.590 -8.430 1.00 0.00 C ATOM 2125 O GLY B 216 12.979 35.580 -9.060 1.00 0.00 O ATOM 0 H GLY B 216 14.961 33.776 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY B 216 12.488 34.820 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY B 216 14.062 35.562 -6.690 1.00 0.00 H new ATOM 2129 N LEU B 217 13.572 33.430 -9.028 1.00 0.00 N ATOM 2130 CA LEU B 217 13.257 33.247 -10.431 1.00 0.00 C ATOM 2131 C LEU B 217 11.753 33.262 -10.472 1.00 0.00 C ATOM 2132 O LEU B 217 11.133 33.884 -11.302 1.00 0.00 O ATOM 2133 CB LEU B 217 13.692 31.867 -10.959 1.00 0.00 C ATOM 2134 CG LEU B 217 15.029 31.293 -10.507 1.00 0.00 C ATOM 2135 CD1 LEU B 217 15.358 30.055 -11.306 1.00 0.00 C ATOM 2136 CD2 LEU B 217 16.142 32.291 -10.611 1.00 0.00 C ATOM 0 H LEU B 217 13.991 32.621 -8.569 1.00 0.00 H new ATOM 0 HA LEU B 217 13.758 34.008 -11.030 1.00 0.00 H new ATOM 0 HB2 LEU B 217 12.917 31.151 -10.686 1.00 0.00 H new ATOM 0 HB3 LEU B 217 13.708 31.921 -12.048 1.00 0.00 H new ATOM 0 HG LEU B 217 14.931 31.031 -9.454 1.00 0.00 H new ATOM 0 HD11 LEU B 217 16.315 29.652 -10.975 1.00 0.00 H new ATOM 0 HD12 LEU B 217 14.579 29.308 -11.156 1.00 0.00 H new ATOM 0 HD13 LEU B 217 15.418 30.310 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU B 217 17.073 31.833 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU B 217 16.247 32.613 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU B 217 15.917 33.154 -9.984 1.00 0.00 H new ATOM 2148 N LEU B 218 11.220 32.617 -9.454 1.00 0.00 N ATOM 2149 CA LEU B 218 9.822 32.421 -9.192 1.00 0.00 C ATOM 2150 C LEU B 218 8.995 33.677 -9.346 1.00 0.00 C ATOM 2151 O LEU B 218 8.071 33.703 -10.136 1.00 0.00 O ATOM 2152 CB LEU B 218 9.679 31.823 -7.789 1.00 0.00 C ATOM 2153 CG LEU B 218 9.660 30.283 -7.749 1.00 0.00 C ATOM 2154 CD1 LEU B 218 10.918 29.697 -8.291 1.00 0.00 C ATOM 2155 CD2 LEU B 218 9.435 29.763 -6.368 1.00 0.00 C ATOM 0 H LEU B 218 11.804 32.186 -8.738 1.00 0.00 H new ATOM 0 HA LEU B 218 9.426 31.736 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU B 218 10.502 32.180 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU B 218 8.758 32.197 -7.341 1.00 0.00 H new ATOM 0 HG LEU B 218 8.826 29.978 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU B 218 10.862 28.609 -8.244 1.00 0.00 H new ATOM 0 HD12 LEU B 218 11.048 30.009 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU B 218 11.765 30.043 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU B 218 9.429 28.673 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU B 218 10.234 30.111 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU B 218 8.477 30.125 -5.994 1.00 0.00 H new ATOM 2167 N GLU B 219 9.381 34.723 -8.658 1.00 0.00 N ATOM 2168 CA GLU B 219 8.641 35.983 -8.668 1.00 0.00 C ATOM 2169 C GLU B 219 8.768 36.731 -10.007 1.00 0.00 C ATOM 2170 O GLU B 219 8.072 37.715 -10.250 1.00 0.00 O ATOM 2171 CB GLU B 219 9.103 36.852 -7.504 1.00 0.00 C ATOM 2172 CG GLU B 219 10.592 37.124 -7.514 1.00 0.00 C ATOM 2173 CD GLU B 219 11.054 37.820 -6.282 1.00 0.00 C ATOM 2174 OE1 GLU B 219 11.405 37.137 -5.299 1.00 0.00 O ATOM 2175 OE2 GLU B 219 11.082 39.058 -6.267 1.00 0.00 O1- ATOM 0 H GLU B 219 10.216 34.736 -8.072 1.00 0.00 H new ATOM 0 HA GLU B 219 7.582 35.753 -8.550 1.00 0.00 H new ATOM 0 HB2 GLU B 219 8.567 37.801 -7.533 1.00 0.00 H new ATOM 0 HB3 GLU B 219 8.836 36.364 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU B 219 11.129 36.181 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU B 219 10.841 37.730 -8.385 1.00 0.00 H new ATOM 2182 N LEU B 220 9.653 36.268 -10.861 1.00 0.00 N ATOM 2183 CA LEU B 220 9.845 36.871 -12.164 1.00 0.00 C ATOM 2184 C LEU B 220 9.070 36.067 -13.211 1.00 0.00 C ATOM 2185 O LEU B 220 8.761 36.568 -14.302 1.00 0.00 O ATOM 2186 CB LEU B 220 11.339 36.879 -12.531 1.00 0.00 C ATOM 2187 CG LEU B 220 12.301 37.540 -11.528 1.00 0.00 C ATOM 2188 CD1 LEU B 220 13.737 37.393 -11.996 1.00 0.00 C ATOM 2189 CD2 LEU B 220 11.965 39.008 -11.321 1.00 0.00 C ATOM 0 H LEU B 220 10.257 35.468 -10.675 1.00 0.00 H new ATOM 0 HA LEU B 220 9.481 37.898 -12.139 1.00 0.00 H new ATOM 0 HB2 LEU B 220 11.658 35.847 -12.676 1.00 0.00 H new ATOM 0 HB3 LEU B 220 11.450 37.385 -13.490 1.00 0.00 H new ATOM 0 HG LEU B 220 12.185 37.030 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU B 220 14.405 37.866 -11.276 1.00 0.00 H new ATOM 0 HD12 LEU B 220 13.985 36.335 -12.081 1.00 0.00 H new ATOM 0 HD13 LEU B 220 13.854 37.872 -12.968 1.00 0.00 H new ATOM 0 HD21 LEU B 220 12.664 39.444 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU B 220 12.041 39.536 -12.272 1.00 0.00 H new ATOM 0 HD23 LEU B 220 10.949 39.098 -10.936 1.00 0.00 H new ATOM 2201 N GLU B 221 8.753 34.829 -12.869 1.00 0.00 N ATOM 2202 CA GLU B 221 8.078 33.911 -13.780 1.00 0.00 C ATOM 2203 C GLU B 221 6.569 33.877 -13.512 1.00 0.00 C ATOM 2204 O GLU B 221 5.779 33.597 -14.419 1.00 0.00 O ATOM 2205 CB GLU B 221 8.642 32.494 -13.612 1.00 0.00 C ATOM 2206 CG GLU B 221 10.157 32.386 -13.741 1.00 0.00 C ATOM 2207 CD GLU B 221 10.691 32.735 -15.099 1.00 0.00 C ATOM 2208 OE1 GLU B 221 11.021 33.897 -15.343 1.00 0.00 O ATOM 2209 OE2 GLU B 221 10.835 31.826 -15.939 1.00 0.00 O1- ATOM 0 H GLU B 221 8.955 34.429 -11.953 1.00 0.00 H new ATOM 0 HA GLU B 221 8.250 34.265 -14.796 1.00 0.00 H new ATOM 0 HB2 GLU B 221 8.348 32.115 -12.633 1.00 0.00 H new ATOM 0 HB3 GLU B 221 8.181 31.845 -14.357 1.00 0.00 H new ATOM 0 HG2 GLU B 221 10.620 33.041 -13.003 1.00 0.00 H new ATOM 0 HG3 GLU B 221 10.458 31.367 -13.496 1.00 0.00 H new ATOM 2461 N PRO C 315 -4.263 23.102 0.451 1.00 0.00 N ATOM 2462 CA PRO C 315 -2.936 23.630 0.145 1.00 0.00 C ATOM 2463 C PRO C 315 -2.200 24.013 1.432 1.00 0.00 C ATOM 2464 O PRO C 315 -2.708 24.803 2.240 1.00 0.00 O ATOM 2465 CB PRO C 315 -3.220 24.879 -0.708 1.00 0.00 C ATOM 2466 CG PRO C 315 -4.627 25.261 -0.399 1.00 0.00 C ATOM 2467 CD PRO C 315 -5.343 23.994 -0.034 1.00 0.00 C ATOM 0 HA PRO C 315 -2.303 22.906 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO C 315 -2.531 25.687 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO C 315 -3.095 24.666 -1.770 1.00 0.00 H new ATOM 0 HG2 PRO C 315 -4.663 25.977 0.422 1.00 0.00 H new ATOM 0 HG3 PRO C 315 -5.097 25.738 -1.259 1.00 0.00 H new ATOM 0 HD2 PRO C 315 -6.094 24.167 0.736 1.00 0.00 H new ATOM 0 HD3 PRO C 315 -5.860 23.565 -0.893 1.00 0.00 H new ATOM 2475 N GLY C 316 -1.034 23.431 1.637 1.00 0.00 N ATOM 2476 CA GLY C 316 -0.262 23.696 2.841 1.00 0.00 C ATOM 2477 C GLY C 316 0.301 25.111 2.889 1.00 0.00 C ATOM 2478 O GLY C 316 0.258 25.850 1.893 1.00 0.00 O ATOM 0 H GLY C 316 -0.600 22.773 0.989 1.00 0.00 H new ATOM 0 HA2 GLY C 316 -0.894 23.533 3.714 1.00 0.00 H new ATOM 0 HA3 GLY C 316 0.559 22.982 2.904 1.00 0.00 H new ATOM 2482 N SER C 317 0.864 25.481 4.023 1.00 0.00 N ATOM 2483 CA SER C 317 1.438 26.806 4.218 1.00 0.00 C ATOM 2484 C SER C 317 2.849 26.916 3.624 1.00 0.00 C ATOM 2485 O SER C 317 3.628 27.792 3.985 1.00 0.00 O ATOM 2486 CB SER C 317 1.440 27.136 5.698 1.00 0.00 C ATOM 2487 OG SER C 317 0.103 27.197 6.200 1.00 0.00 O ATOM 0 H SER C 317 0.938 24.873 4.839 1.00 0.00 H new ATOM 0 HA SER C 317 0.822 27.531 3.686 1.00 0.00 H new ATOM 0 HB2 SER C 317 2.005 26.381 6.244 1.00 0.00 H new ATOM 0 HB3 SER C 317 1.940 28.090 5.863 1.00 0.00 H new ATOM 0 HG SER C 317 0.122 27.409 7.157 1.00 0.00 H new ATOM 2493 N ARG C 318 3.155 26.030 2.706 1.00 0.00 N ATOM 2494 CA ARG C 318 4.403 26.065 1.984 1.00 0.00 C ATOM 2495 C ARG C 318 4.171 26.676 0.613 1.00 0.00 C ATOM 2496 O ARG C 318 5.078 26.809 -0.191 1.00 0.00 O ATOM 2497 CB ARG C 318 5.014 24.663 1.875 1.00 0.00 C ATOM 2498 CG ARG C 318 5.617 24.135 3.173 1.00 0.00 C ATOM 2499 CD ARG C 318 6.830 24.966 3.563 1.00 0.00 C ATOM 2500 NE ARG C 318 7.472 24.526 4.811 1.00 0.00 N ATOM 2501 CZ ARG C 318 8.661 24.977 5.239 1.00 0.00 C ATOM 2502 NH1 ARG C 318 9.338 25.861 4.516 1.00 0.00 N1+ ATOM 2503 NH2 ARG C 318 9.165 24.549 6.388 1.00 0.00 N ATOM 0 H ARG C 318 2.541 25.261 2.438 1.00 0.00 H new ATOM 0 HA ARG C 318 5.117 26.683 2.529 1.00 0.00 H new ATOM 0 HB2 ARG C 318 4.243 23.969 1.538 1.00 0.00 H new ATOM 0 HB3 ARG C 318 5.788 24.676 1.108 1.00 0.00 H new ATOM 0 HG2 ARG C 318 4.873 24.168 3.969 1.00 0.00 H new ATOM 0 HG3 ARG C 318 5.906 23.091 3.050 1.00 0.00 H new ATOM 0 HD2 ARG C 318 7.561 24.927 2.755 1.00 0.00 H new ATOM 0 HD3 ARG C 318 6.527 26.008 3.668 1.00 0.00 H new ATOM 0 HE ARG C 318 6.985 23.838 5.385 1.00 0.00 H new ATOM 0 HH11 ARG C 318 8.954 26.199 3.633 1.00 0.00 H new ATOM 0 HH12 ARG C 318 10.242 26.203 4.843 1.00 0.00 H new ATOM 0 HH21 ARG C 318 8.648 23.874 6.951 1.00 0.00 H new ATOM 0 HH22 ARG C 318 10.069 24.895 6.709 1.00 0.00 H new ATOM 2517 N TRP C 319 2.934 27.035 0.369 1.00 0.00 N ATOM 2518 CA TRP C 319 2.527 27.669 -0.846 1.00 0.00 C ATOM 2519 C TRP C 319 2.491 29.166 -0.604 1.00 0.00 C ATOM 2520 O TRP C 319 1.868 29.629 0.351 1.00 0.00 O ATOM 2521 CB TRP C 319 1.149 27.119 -1.262 1.00 0.00 C ATOM 2522 CG TRP C 319 0.527 27.727 -2.489 1.00 0.00 C ATOM 2523 CD1 TRP C 319 1.109 27.948 -3.711 1.00 0.00 C ATOM 2524 CD2 TRP C 319 -0.837 28.133 -2.617 1.00 0.00 C ATOM 2525 NE1 TRP C 319 0.187 28.506 -4.568 1.00 0.00 N ATOM 2526 CE2 TRP C 319 -1.015 28.619 -3.921 1.00 0.00 C ATOM 2527 CE3 TRP C 319 -1.924 28.143 -1.742 1.00 0.00 C ATOM 2528 CZ2 TRP C 319 -2.239 29.105 -4.374 1.00 0.00 C ATOM 2529 CZ3 TRP C 319 -3.137 28.621 -2.191 1.00 0.00 C ATOM 2530 CH2 TRP C 319 -3.286 29.097 -3.497 1.00 0.00 C ATOM 0 H TRP C 319 2.171 26.888 1.029 1.00 0.00 H new ATOM 0 HA TRP C 319 3.223 27.464 -1.659 1.00 0.00 H new ATOM 0 HB2 TRP C 319 1.245 26.045 -1.424 1.00 0.00 H new ATOM 0 HB3 TRP C 319 0.461 27.255 -0.428 1.00 0.00 H new ATOM 0 HD1 TRP C 319 2.134 27.719 -3.963 1.00 0.00 H new ATOM 0 HE1 TRP C 319 0.370 28.790 -5.531 1.00 0.00 H new ATOM 0 HE3 TRP C 319 -1.817 27.782 -0.730 1.00 0.00 H new ATOM 0 HZ2 TRP C 319 -2.356 29.475 -5.382 1.00 0.00 H new ATOM 0 HZ3 TRP C 319 -3.986 28.628 -1.523 1.00 0.00 H new ATOM 0 HH2 TRP C 319 -4.249 29.466 -3.819 1.00 0.00 H new ATOM 2541 N ASP C 320 3.194 29.907 -1.443 1.00 0.00 N ATOM 2542 CA ASP C 320 3.290 31.371 -1.321 1.00 0.00 C ATOM 2543 C ASP C 320 1.945 32.061 -1.533 1.00 0.00 C ATOM 2544 O ASP C 320 1.687 33.135 -0.984 1.00 0.00 O ATOM 2545 CB ASP C 320 4.323 31.928 -2.309 1.00 0.00 C ATOM 2546 CG ASP C 320 4.421 33.439 -2.263 1.00 0.00 C ATOM 2547 OD1 ASP C 320 5.049 33.978 -1.337 1.00 0.00 O ATOM 2548 OD2 ASP C 320 3.877 34.108 -3.151 1.00 0.00 O1- ATOM 0 H ASP C 320 3.717 29.522 -2.230 1.00 0.00 H new ATOM 0 HA ASP C 320 3.612 31.582 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP C 320 5.300 31.498 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP C 320 4.058 31.616 -3.319 1.00 0.00 H new ATOM 2553 N GLY C 321 1.088 31.441 -2.302 1.00 0.00 N ATOM 2554 CA GLY C 321 -0.193 32.040 -2.586 1.00 0.00 C ATOM 2555 C GLY C 321 -0.330 32.369 -4.045 1.00 0.00 C ATOM 2556 O GLY C 321 -1.341 32.913 -4.477 1.00 0.00 O ATOM 0 H GLY C 321 1.249 30.533 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY C 321 -0.990 31.358 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY C 321 -0.312 32.947 -1.994 1.00 0.00 H new