USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 576 hydrogens (19 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 NoAdj-H: B 4 M3L H2 : B 4 M3L N : B 3 THR C :(H bumps) USER MOD NoAdj-H: B 4 M3L H : B 4 M3L N : B 3 THR C :(H bumps) USER MOD Set 1.1: A 284 SER OG : rot 180:sc= 0.447 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.1 K(o=1.5,f=0.97) USER MOD Set 2.1: A 271 CYS SG : rot -32:sc= 0.0567 USER MOD Set 2.2: A 273 ASN : amide:sc= 0 X(o=0.057,f=-0.084) USER MOD Single : A 240 SER OG : rot 180:sc=-0.00453 USER MOD Single : A 241 SER OG : rot -36:sc= 0.0133 USER MOD Single : A 243 SER OG : rot -80:sc= 0.642 USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 GLN : amide:sc= -0.0524 K(o=-0.052,f=-1.8) USER MOD Single : A 253 CYS SG : rot 180:sc= 0 USER MOD Single : A 258 GLN : amide:sc= 0.768 K(o=0.77,f=-1.2) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0522 K(o=0.052,f=-1.1) USER MOD Single : A 266 LYS NZ :NH3+ 140:sc= 1.41 (180deg=0.0294) USER MOD Single : A 277 SER OG : rot -31:sc= 0.00752 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.36) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.167 K(o=-0.17,f=-0.99) USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 304 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -109:sc= 1.12 (180deg=-0.018) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.156 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 4.739 -23.142 -3.222 1.00 0.00 N ATOM 2 CA GLY A 239 5.159 -22.000 -4.062 1.00 0.00 C ATOM 3 C GLY A 239 6.234 -21.178 -3.370 1.00 0.00 C ATOM 4 O GLY A 239 7.222 -21.729 -2.884 1.00 0.00 O ATOM 0 HA2 GLY A 239 5.535 -22.366 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 239 4.298 -21.368 -4.280 1.00 0.00 H new ATOM 10 N SER A 240 6.061 -19.857 -3.309 1.00 0.00 N ATOM 11 CA SER A 240 6.959 -18.947 -2.573 1.00 0.00 C ATOM 12 C SER A 240 6.688 -18.962 -1.051 1.00 0.00 C ATOM 13 O SER A 240 5.665 -19.473 -0.587 1.00 0.00 O ATOM 14 CB SER A 240 6.820 -17.528 -3.147 1.00 0.00 C ATOM 15 OG SER A 240 7.801 -16.649 -2.608 1.00 0.00 O ATOM 0 H SER A 240 5.288 -19.378 -3.771 1.00 0.00 H new ATOM 0 HA SER A 240 7.984 -19.295 -2.704 1.00 0.00 H new ATOM 0 HB2 SER A 240 6.917 -17.562 -4.232 1.00 0.00 H new ATOM 0 HB3 SER A 240 5.824 -17.142 -2.928 1.00 0.00 H new ATOM 0 HG SER A 240 7.687 -15.755 -2.994 1.00 0.00 H new ATOM 21 N SER A 241 7.589 -18.381 -0.251 1.00 0.00 N ATOM 22 CA SER A 241 7.404 -18.223 1.204 1.00 0.00 C ATOM 23 C SER A 241 6.424 -17.084 1.568 1.00 0.00 C ATOM 24 O SER A 241 5.946 -17.013 2.704 1.00 0.00 O ATOM 25 CB SER A 241 8.769 -18.007 1.875 1.00 0.00 C ATOM 26 OG SER A 241 8.713 -18.251 3.275 1.00 0.00 O ATOM 0 H SER A 241 8.473 -18.004 -0.592 1.00 0.00 H new ATOM 0 HA SER A 241 6.951 -19.141 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 241 9.507 -18.668 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 241 9.104 -16.985 1.697 1.00 0.00 H new ATOM 0 HG SER A 241 7.850 -17.946 3.626 1.00 0.00 H new ATOM 32 N GLY A 242 6.112 -16.196 0.611 1.00 0.00 N ATOM 33 CA GLY A 242 5.049 -15.182 0.676 1.00 0.00 C ATOM 34 C GLY A 242 5.355 -13.956 1.542 1.00 0.00 C ATOM 35 O GLY A 242 5.266 -12.825 1.064 1.00 0.00 O ATOM 0 H GLY A 242 6.620 -16.165 -0.273 1.00 0.00 H new ATOM 0 HA2 GLY A 242 4.832 -14.844 -0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 242 4.143 -15.655 1.055 1.00 0.00 H new ATOM 39 N SER A 243 5.730 -14.176 2.802 1.00 0.00 N ATOM 40 CA SER A 243 5.821 -13.135 3.843 1.00 0.00 C ATOM 41 C SER A 243 6.990 -13.385 4.823 1.00 0.00 C ATOM 42 O SER A 243 6.824 -13.364 6.044 1.00 0.00 O ATOM 43 CB SER A 243 4.474 -13.017 4.591 1.00 0.00 C ATOM 44 OG SER A 243 3.365 -12.768 3.732 1.00 0.00 O ATOM 0 H SER A 243 5.986 -15.103 3.142 1.00 0.00 H new ATOM 0 HA SER A 243 6.033 -12.187 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 243 4.294 -13.938 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 243 4.544 -12.213 5.323 1.00 0.00 H new ATOM 0 HG SER A 243 3.338 -11.816 3.500 1.00 0.00 H new ATOM 50 N SER A 244 8.195 -13.628 4.298 1.00 0.00 N ATOM 51 CA SER A 244 9.418 -13.874 5.082 1.00 0.00 C ATOM 52 C SER A 244 10.659 -13.252 4.410 1.00 0.00 C ATOM 53 O SER A 244 10.691 -13.065 3.186 1.00 0.00 O ATOM 54 CB SER A 244 9.603 -15.385 5.293 1.00 0.00 C ATOM 55 OG SER A 244 10.606 -15.669 6.262 1.00 0.00 O ATOM 0 H SER A 244 8.355 -13.661 3.291 1.00 0.00 H new ATOM 0 HA SER A 244 9.307 -13.391 6.053 1.00 0.00 H new ATOM 0 HB2 SER A 244 8.658 -15.825 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 244 9.871 -15.853 4.346 1.00 0.00 H new ATOM 0 HG SER A 244 10.692 -16.639 6.369 1.00 0.00 H new ATOM 61 N GLY A 245 11.673 -12.897 5.212 1.00 0.00 N ATOM 62 CA GLY A 245 12.842 -12.116 4.783 1.00 0.00 C ATOM 63 C GLY A 245 12.552 -10.612 4.703 1.00 0.00 C ATOM 64 O GLY A 245 11.562 -10.126 5.255 1.00 0.00 O ATOM 0 H GLY A 245 11.704 -13.151 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 245 13.663 -12.287 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 245 13.172 -12.471 3.807 1.00 0.00 H new ATOM 68 N GLU A 246 13.426 -9.875 4.016 1.00 0.00 N ATOM 69 CA GLU A 246 13.333 -8.422 3.817 1.00 0.00 C ATOM 70 C GLU A 246 13.774 -8.052 2.394 1.00 0.00 C ATOM 71 O GLU A 246 14.869 -8.416 1.954 1.00 0.00 O ATOM 72 CB GLU A 246 14.214 -7.669 4.835 1.00 0.00 C ATOM 73 CG GLU A 246 13.745 -7.743 6.297 1.00 0.00 C ATOM 74 CD GLU A 246 12.380 -7.083 6.567 1.00 0.00 C ATOM 75 OE1 GLU A 246 11.951 -6.185 5.803 1.00 0.00 O ATOM 76 OE2 GLU A 246 11.745 -7.429 7.592 1.00 0.00 O ATOM 0 H GLU A 246 14.246 -10.283 3.567 1.00 0.00 H new ATOM 0 HA GLU A 246 12.294 -8.129 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 246 15.227 -8.066 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 246 14.265 -6.621 4.540 1.00 0.00 H new ATOM 0 HG2 GLU A 246 13.693 -8.790 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 246 14.495 -7.268 6.930 1.00 0.00 H new ATOM 83 N ILE A 247 12.921 -7.334 1.657 1.00 0.00 N ATOM 84 CA ILE A 247 13.162 -6.943 0.265 1.00 0.00 C ATOM 85 C ILE A 247 13.838 -5.565 0.241 1.00 0.00 C ATOM 86 O ILE A 247 13.177 -4.525 0.228 1.00 0.00 O ATOM 87 CB ILE A 247 11.848 -6.995 -0.557 1.00 0.00 C ATOM 88 CG1 ILE A 247 11.107 -8.355 -0.499 1.00 0.00 C ATOM 89 CG2 ILE A 247 12.173 -6.710 -2.039 1.00 0.00 C ATOM 90 CD1 ILE A 247 10.320 -8.670 0.784 1.00 0.00 C ATOM 0 H ILE A 247 12.027 -7.002 2.018 1.00 0.00 H new ATOM 0 HA ILE A 247 13.839 -7.651 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 247 11.191 -6.248 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 247 10.415 -8.399 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 247 11.841 -9.147 -0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 247 11.255 -6.744 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 247 12.625 -5.722 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 247 12.869 -7.462 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 247 9.851 -9.650 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 247 10.999 -8.672 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 247 9.551 -7.912 0.934 1.00 0.00 H new ATOM 102 N SER A 248 15.168 -5.542 0.242 1.00 0.00 N ATOM 103 CA SER A 248 15.989 -4.316 0.299 1.00 0.00 C ATOM 104 C SER A 248 16.111 -3.559 -1.045 1.00 0.00 C ATOM 105 O SER A 248 16.791 -2.531 -1.118 1.00 0.00 O ATOM 106 CB SER A 248 17.395 -4.676 0.817 1.00 0.00 C ATOM 107 OG SER A 248 17.351 -5.398 2.046 1.00 0.00 O ATOM 0 H SER A 248 15.728 -6.393 0.202 1.00 0.00 H new ATOM 0 HA SER A 248 15.473 -3.635 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 248 17.915 -5.272 0.067 1.00 0.00 H new ATOM 0 HB3 SER A 248 17.974 -3.763 0.955 1.00 0.00 H new ATOM 0 HG SER A 248 18.264 -5.606 2.336 1.00 0.00 H new ATOM 113 N GLY A 249 15.481 -4.062 -2.116 1.00 0.00 N ATOM 114 CA GLY A 249 15.598 -3.548 -3.489 1.00 0.00 C ATOM 115 C GLY A 249 14.663 -2.379 -3.828 1.00 0.00 C ATOM 116 O GLY A 249 14.038 -1.766 -2.960 1.00 0.00 O ATOM 0 H GLY A 249 14.855 -4.865 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 249 16.627 -3.230 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 249 15.401 -4.364 -4.184 1.00 0.00 H new ATOM 120 N PHE A 250 14.591 -2.074 -5.128 1.00 0.00 N ATOM 121 CA PHE A 250 13.747 -1.028 -5.713 1.00 0.00 C ATOM 122 C PHE A 250 12.253 -1.412 -5.757 1.00 0.00 C ATOM 123 O PHE A 250 11.873 -2.562 -5.524 1.00 0.00 O ATOM 124 CB PHE A 250 14.290 -0.691 -7.117 1.00 0.00 C ATOM 125 CG PHE A 250 14.240 -1.837 -8.117 1.00 0.00 C ATOM 126 CD1 PHE A 250 13.043 -2.138 -8.797 1.00 0.00 C ATOM 127 CD2 PHE A 250 15.391 -2.613 -8.362 1.00 0.00 C ATOM 128 CE1 PHE A 250 12.991 -3.214 -9.701 1.00 0.00 C ATOM 129 CE2 PHE A 250 15.340 -3.685 -9.271 1.00 0.00 C ATOM 130 CZ PHE A 250 14.141 -3.988 -9.939 1.00 0.00 C ATOM 0 H PHE A 250 15.142 -2.569 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 250 13.795 -0.146 -5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 250 13.721 0.147 -7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 250 15.323 -0.358 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 250 12.161 -1.539 -8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 250 16.314 -2.384 -7.851 1.00 0.00 H new ATOM 0 HE1 PHE A 250 12.068 -3.446 -10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 250 16.224 -4.277 -9.456 1.00 0.00 H new ATOM 0 HZ PHE A 250 14.103 -4.814 -10.634 1.00 0.00 H new ATOM 140 N GLY A 251 11.404 -0.436 -6.103 1.00 0.00 N ATOM 141 CA GLY A 251 9.970 -0.620 -6.346 1.00 0.00 C ATOM 142 C GLY A 251 9.331 0.627 -6.952 1.00 0.00 C ATOM 143 O GLY A 251 9.495 1.726 -6.425 1.00 0.00 O ATOM 0 H GLY A 251 11.706 0.531 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 251 9.821 -1.467 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 251 9.471 -0.864 -5.408 1.00 0.00 H new ATOM 147 N GLN A 252 8.590 0.445 -8.042 1.00 0.00 N ATOM 148 CA GLN A 252 7.939 1.493 -8.835 1.00 0.00 C ATOM 149 C GLN A 252 6.488 1.104 -9.165 1.00 0.00 C ATOM 150 O GLN A 252 6.136 -0.077 -9.111 1.00 0.00 O ATOM 151 CB GLN A 252 8.770 1.803 -10.096 1.00 0.00 C ATOM 152 CG GLN A 252 8.878 0.668 -11.132 1.00 0.00 C ATOM 153 CD GLN A 252 9.862 -0.442 -10.746 1.00 0.00 C ATOM 154 OE1 GLN A 252 9.535 -1.392 -10.044 1.00 0.00 O ATOM 155 NE2 GLN A 252 11.104 -0.370 -11.178 1.00 0.00 N ATOM 0 H GLN A 252 8.416 -0.487 -8.419 1.00 0.00 H new ATOM 0 HA GLN A 252 7.892 2.410 -8.247 1.00 0.00 H new ATOM 0 HB2 GLN A 252 8.337 2.675 -10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 252 9.777 2.080 -9.784 1.00 0.00 H new ATOM 0 HG2 GLN A 252 7.891 0.229 -11.278 1.00 0.00 H new ATOM 0 HG3 GLN A 252 9.183 1.092 -12.089 1.00 0.00 H new ATOM 0 HE21 GLN A 252 11.396 0.413 -11.763 1.00 0.00 H new ATOM 0 HE22 GLN A 252 11.774 -1.097 -10.927 1.00 0.00 H new ATOM 164 N CYS A 253 5.632 2.099 -9.454 1.00 0.00 N ATOM 165 CA CYS A 253 4.170 1.929 -9.599 1.00 0.00 C ATOM 166 C CYS A 253 3.549 1.276 -8.339 1.00 0.00 C ATOM 167 O CYS A 253 2.611 0.477 -8.413 1.00 0.00 O ATOM 168 CB CYS A 253 3.854 1.171 -10.902 1.00 0.00 C ATOM 169 SG CYS A 253 4.485 2.101 -12.331 1.00 0.00 S ATOM 0 H CYS A 253 5.938 3.061 -9.596 1.00 0.00 H new ATOM 0 HA CYS A 253 3.701 2.909 -9.679 1.00 0.00 H new ATOM 0 HB2 CYS A 253 4.306 0.180 -10.874 1.00 0.00 H new ATOM 0 HB3 CYS A 253 2.778 1.028 -10.997 1.00 0.00 H new ATOM 0 HG CYS A 253 4.215 1.452 -13.425 1.00 0.00 H new ATOM 175 N LEU A 254 4.139 1.570 -7.175 1.00 0.00 N ATOM 176 CA LEU A 254 3.895 0.905 -5.896 1.00 0.00 C ATOM 177 C LEU A 254 2.639 1.491 -5.228 1.00 0.00 C ATOM 178 O LEU A 254 2.655 2.644 -4.801 1.00 0.00 O ATOM 179 CB LEU A 254 5.185 1.073 -5.059 1.00 0.00 C ATOM 180 CG LEU A 254 5.385 0.096 -3.886 1.00 0.00 C ATOM 181 CD1 LEU A 254 6.697 0.453 -3.171 1.00 0.00 C ATOM 182 CD2 LEU A 254 4.226 0.123 -2.888 1.00 0.00 C ATOM 0 H LEU A 254 4.832 2.314 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 254 3.687 -0.159 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 254 6.039 0.978 -5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 254 5.202 2.088 -4.662 1.00 0.00 H new ATOM 0 HG LEU A 254 5.423 -0.915 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 254 6.854 -0.230 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 254 7.528 0.368 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 254 6.641 1.475 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 254 4.422 -0.585 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 254 4.127 1.126 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 254 3.302 -0.152 -3.396 1.00 0.00 H new ATOM 194 N VAL A 255 1.565 0.701 -5.135 1.00 0.00 N ATOM 195 CA VAL A 255 0.253 1.120 -4.603 1.00 0.00 C ATOM 196 C VAL A 255 0.156 0.840 -3.096 1.00 0.00 C ATOM 197 O VAL A 255 0.471 -0.261 -2.635 1.00 0.00 O ATOM 198 CB VAL A 255 -0.926 0.436 -5.345 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.294 1.001 -4.911 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.823 0.586 -6.874 1.00 0.00 C ATOM 0 H VAL A 255 1.578 -0.274 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 255 0.175 2.194 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.856 -0.617 -5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.088 0.492 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.430 0.843 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.332 2.069 -5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.671 0.090 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.828 1.644 -7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.104 0.130 -7.223 1.00 0.00 H new ATOM 210 N TRP A 256 -0.342 1.829 -2.349 1.00 0.00 N ATOM 211 CA TRP A 256 -0.705 1.726 -0.930 1.00 0.00 C ATOM 212 C TRP A 256 -2.189 2.081 -0.721 1.00 0.00 C ATOM 213 O TRP A 256 -2.749 2.919 -1.432 1.00 0.00 O ATOM 214 CB TRP A 256 0.176 2.664 -0.091 1.00 0.00 C ATOM 215 CG TRP A 256 1.610 2.289 0.111 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.611 2.527 -0.763 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.237 1.628 1.255 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.807 2.086 -0.233 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.635 1.503 0.999 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.769 1.104 2.477 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.518 0.872 1.887 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.633 0.412 3.347 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.004 0.299 3.060 1.00 0.00 C ATOM 0 H TRP A 256 -0.511 2.760 -2.729 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.544 0.697 -0.609 1.00 0.00 H new ATOM 0 HB2 TRP A 256 0.151 3.650 -0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.284 2.764 0.892 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.494 2.992 -1.731 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.709 2.181 -0.700 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.732 1.235 2.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.575 0.828 1.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.237 -0.037 4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.659 -0.226 3.739 1.00 0.00 H new ATOM 234 N VAL A 257 -2.804 1.470 0.292 1.00 0.00 N ATOM 235 CA VAL A 257 -4.242 1.582 0.618 1.00 0.00 C ATOM 236 C VAL A 257 -4.447 1.940 2.085 1.00 0.00 C ATOM 237 O VAL A 257 -3.819 1.336 2.951 1.00 0.00 O ATOM 238 CB VAL A 257 -5.004 0.265 0.338 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.483 0.195 -1.109 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.180 -0.995 0.650 1.00 0.00 C ATOM 0 H VAL A 257 -2.303 0.859 0.937 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.636 2.371 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 257 -5.859 0.282 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.014 -0.743 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.152 1.031 -1.312 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.625 0.247 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -4.775 -1.882 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.279 -1.002 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -3.902 -0.996 1.704 1.00 0.00 H new ATOM 250 N GLN A 258 -5.331 2.903 2.365 1.00 0.00 N ATOM 251 CA GLN A 258 -5.668 3.333 3.723 1.00 0.00 C ATOM 252 C GLN A 258 -6.967 2.681 4.208 1.00 0.00 C ATOM 253 O GLN A 258 -7.989 2.714 3.515 1.00 0.00 O ATOM 254 CB GLN A 258 -5.766 4.863 3.798 1.00 0.00 C ATOM 255 CG GLN A 258 -5.854 5.379 5.246 1.00 0.00 C ATOM 256 CD GLN A 258 -5.735 6.904 5.339 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.307 7.658 4.561 1.00 0.00 O ATOM 258 NE2 GLN A 258 -4.990 7.420 6.294 1.00 0.00 N ATOM 0 H GLN A 258 -5.840 3.413 1.642 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.866 3.006 4.385 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -4.896 5.304 3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.644 5.195 3.244 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.803 5.066 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.063 4.920 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.506 6.807 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.896 8.432 6.377 1.00 0.00 H new ATOM 267 N CYS A 259 -6.916 2.133 5.425 1.00 0.00 N ATOM 268 CA CYS A 259 -8.032 1.513 6.130 1.00 0.00 C ATOM 269 C CYS A 259 -9.263 2.440 6.258 1.00 0.00 C ATOM 270 O CYS A 259 -9.142 3.639 6.533 1.00 0.00 O ATOM 271 CB CYS A 259 -7.496 1.099 7.507 1.00 0.00 C ATOM 272 SG CYS A 259 -8.651 -0.036 8.316 1.00 0.00 S ATOM 0 H CYS A 259 -6.053 2.110 5.968 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.394 0.654 5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.523 0.621 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.349 1.983 8.128 1.00 0.00 H new ATOM 277 N SER A 260 -10.458 1.880 6.070 1.00 0.00 N ATOM 278 CA SER A 260 -11.741 2.592 6.174 1.00 0.00 C ATOM 279 C SER A 260 -12.085 3.069 7.595 1.00 0.00 C ATOM 280 O SER A 260 -12.846 4.032 7.746 1.00 0.00 O ATOM 281 CB SER A 260 -12.894 1.725 5.635 1.00 0.00 C ATOM 282 OG SER A 260 -12.993 0.464 6.285 1.00 0.00 O ATOM 0 H SER A 260 -10.568 0.894 5.835 1.00 0.00 H new ATOM 0 HA SER A 260 -11.619 3.486 5.563 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.834 2.264 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.753 1.566 4.566 1.00 0.00 H new ATOM 0 HG SER A 260 -13.741 -0.042 5.905 1.00 0.00 H new ATOM 288 N PHE A 261 -11.534 2.438 8.639 1.00 0.00 N ATOM 289 CA PHE A 261 -11.788 2.821 10.024 1.00 0.00 C ATOM 290 C PHE A 261 -10.950 4.038 10.454 1.00 0.00 C ATOM 291 O PHE A 261 -9.742 4.074 10.198 1.00 0.00 O ATOM 292 CB PHE A 261 -11.529 1.629 10.945 1.00 0.00 C ATOM 293 CG PHE A 261 -12.495 0.479 10.772 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.813 0.590 11.254 1.00 0.00 C ATOM 295 CD2 PHE A 261 -12.071 -0.710 10.151 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.708 -0.486 11.101 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.959 -1.789 10.016 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.281 -1.675 10.482 1.00 0.00 C ATOM 0 H PHE A 261 -10.899 1.646 8.542 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.834 3.117 10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.516 1.265 10.771 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.572 1.970 11.979 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.137 1.498 11.740 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -11.061 -0.793 9.778 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.723 -0.399 11.459 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.627 -2.707 9.554 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.968 -2.500 10.365 1.00 0.00 H new ATOM 308 N PRO A 262 -11.563 5.007 11.162 1.00 0.00 N ATOM 309 CA PRO A 262 -10.911 6.237 11.602 1.00 0.00 C ATOM 310 C PRO A 262 -9.914 6.001 12.742 1.00 0.00 C ATOM 311 O PRO A 262 -8.890 6.676 12.821 1.00 0.00 O ATOM 312 CB PRO A 262 -12.066 7.132 12.054 1.00 0.00 C ATOM 313 CG PRO A 262 -13.136 6.157 12.542 1.00 0.00 C ATOM 314 CD PRO A 262 -12.956 4.983 11.590 1.00 0.00 C ATOM 0 HA PRO A 262 -10.315 6.681 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.755 7.811 12.848 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.435 7.749 11.234 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.980 5.867 13.581 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.137 6.584 12.478 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.193 4.042 12.086 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.626 5.071 10.735 1.00 0.00 H new ATOM 322 N ASN A 263 -10.184 5.007 13.595 1.00 0.00 N ATOM 323 CA ASN A 263 -9.283 4.544 14.660 1.00 0.00 C ATOM 324 C ASN A 263 -8.103 3.687 14.141 1.00 0.00 C ATOM 325 O ASN A 263 -7.215 3.328 14.918 1.00 0.00 O ATOM 326 CB ASN A 263 -10.105 3.796 15.721 1.00 0.00 C ATOM 327 CG ASN A 263 -10.772 2.537 15.171 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.800 2.604 14.508 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.206 1.368 15.410 1.00 0.00 N ATOM 0 H ASN A 263 -11.061 4.486 13.564 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.816 5.422 15.107 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.455 3.524 16.553 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.870 4.463 16.119 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.625 0.514 15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.350 1.319 15.963 1.00 0.00 H new ATOM 336 N CYS A 264 -8.089 3.383 12.838 1.00 0.00 N ATOM 337 CA CYS A 264 -6.982 2.757 12.118 1.00 0.00 C ATOM 338 C CYS A 264 -6.241 3.845 11.324 1.00 0.00 C ATOM 339 O CYS A 264 -5.206 4.345 11.775 1.00 0.00 O ATOM 340 CB CYS A 264 -7.537 1.633 11.227 1.00 0.00 C ATOM 341 SG CYS A 264 -6.540 0.123 11.285 1.00 0.00 S ATOM 0 H CYS A 264 -8.887 3.577 12.233 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.264 2.300 12.799 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.556 1.401 11.538 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.590 1.987 10.197 1.00 0.00 H new ATOM 346 N GLY A 265 -6.767 4.205 10.142 1.00 0.00 N ATOM 347 CA GLY A 265 -6.127 5.116 9.199 1.00 0.00 C ATOM 348 C GLY A 265 -4.781 4.599 8.682 1.00 0.00 C ATOM 349 O GLY A 265 -4.009 5.375 8.120 1.00 0.00 O ATOM 0 H GLY A 265 -7.669 3.859 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.795 5.282 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.977 6.082 9.681 1.00 0.00 H new ATOM 353 N LYS A 266 -4.491 3.310 8.884 1.00 0.00 N ATOM 354 CA LYS A 266 -3.220 2.678 8.538 1.00 0.00 C ATOM 355 C LYS A 266 -3.078 2.484 7.032 1.00 0.00 C ATOM 356 O LYS A 266 -4.052 2.134 6.360 1.00 0.00 O ATOM 357 CB LYS A 266 -3.106 1.314 9.226 1.00 0.00 C ATOM 358 CG LYS A 266 -2.999 1.417 10.742 1.00 0.00 C ATOM 359 CD LYS A 266 -2.867 -0.007 11.281 1.00 0.00 C ATOM 360 CE LYS A 266 -2.870 -0.027 12.800 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.199 0.347 13.355 1.00 0.00 N ATOM 0 H LYS A 266 -5.156 2.661 9.305 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.425 3.340 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.976 0.710 8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.231 0.791 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.136 2.018 11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.880 1.906 11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.689 -0.617 10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.944 -0.453 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.597 -1.022 13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -2.113 0.662 13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.416 -0.258 14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.182 1.343 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.929 0.218 12.625 1.00 0.00 H new ATOM 375 N TRP A 267 -1.860 2.626 6.516 1.00 0.00 N ATOM 376 CA TRP A 267 -1.527 2.306 5.136 1.00 0.00 C ATOM 377 C TRP A 267 -0.922 0.901 5.054 1.00 0.00 C ATOM 378 O TRP A 267 0.060 0.597 5.736 1.00 0.00 O ATOM 379 CB TRP A 267 -0.608 3.389 4.558 1.00 0.00 C ATOM 380 CG TRP A 267 -1.236 4.744 4.438 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.262 5.682 5.408 1.00 0.00 C ATOM 382 CD2 TRP A 267 -1.958 5.324 3.309 1.00 0.00 C ATOM 383 NE1 TRP A 267 -1.915 6.810 4.951 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.363 6.647 3.657 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.321 4.861 2.028 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.067 7.475 2.767 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.046 5.673 1.135 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.404 6.984 1.494 1.00 0.00 C ATOM 0 H TRP A 267 -1.066 2.972 7.055 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.430 2.295 4.525 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.278 3.469 5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.270 3.071 3.572 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.836 5.568 6.394 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.049 7.658 5.502 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.037 3.864 1.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.346 8.477 3.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.329 5.286 0.167 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -3.936 7.612 0.794 1.00 0.00 H new ATOM 399 N ARG A 268 -1.514 0.049 4.209 1.00 0.00 N ATOM 400 CA ARG A 268 -1.004 -1.281 3.856 1.00 0.00 C ATOM 401 C ARG A 268 -0.569 -1.301 2.387 1.00 0.00 C ATOM 402 O ARG A 268 -1.072 -0.519 1.569 1.00 0.00 O ATOM 403 CB ARG A 268 -2.050 -2.380 4.111 1.00 0.00 C ATOM 404 CG ARG A 268 -2.789 -2.327 5.458 1.00 0.00 C ATOM 405 CD ARG A 268 -1.881 -2.356 6.686 1.00 0.00 C ATOM 406 NE ARG A 268 -2.695 -2.532 7.895 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.257 -2.728 9.126 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.997 -2.597 9.467 1.00 0.00 N ATOM 409 NH2 ARG A 268 -3.118 -3.048 10.052 1.00 0.00 N ATOM 0 H ARG A 268 -2.390 0.274 3.737 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.145 -1.488 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.792 -2.336 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.554 -3.347 4.032 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.392 -1.420 5.490 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.478 -3.170 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.160 -3.169 6.599 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.310 -1.430 6.751 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.707 -2.499 7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.304 -2.332 8.767 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.710 -2.760 10.432 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -4.106 -3.142 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.803 -3.204 11.009 1.00 0.00 H new ATOM 423 N ARG A 269 0.378 -2.189 2.077 1.00 0.00 N ATOM 424 CA ARG A 269 1.052 -2.298 0.780 1.00 0.00 C ATOM 425 C ARG A 269 0.431 -3.418 -0.071 1.00 0.00 C ATOM 426 O ARG A 269 0.224 -4.522 0.437 1.00 0.00 O ATOM 427 CB ARG A 269 2.544 -2.577 1.038 1.00 0.00 C ATOM 428 CG ARG A 269 3.424 -2.071 -0.112 1.00 0.00 C ATOM 429 CD ARG A 269 4.571 -3.028 -0.456 1.00 0.00 C ATOM 430 NE ARG A 269 4.059 -4.233 -1.133 1.00 0.00 N ATOM 431 CZ ARG A 269 4.337 -5.502 -0.860 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.238 -5.858 0.033 1.00 0.00 N ATOM 433 NH2 ARG A 269 3.681 -6.438 -1.505 1.00 0.00 N ATOM 0 H ARG A 269 0.710 -2.880 2.750 1.00 0.00 H new ATOM 0 HA ARG A 269 0.935 -1.368 0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.848 -2.096 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.696 -3.648 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.805 -1.922 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.838 -1.099 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.292 -2.523 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.099 -3.313 0.454 1.00 0.00 H new ATOM 0 HE ARG A 269 3.412 -4.072 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.755 -5.145 0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 269 5.418 -6.846 0.210 1.00 0.00 H new ATOM 0 HH21 ARG A 269 2.977 -6.183 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 269 3.875 -7.421 -1.314 1.00 0.00 H new ATOM 447 N LEU A 270 0.151 -3.155 -1.354 1.00 0.00 N ATOM 448 CA LEU A 270 -0.428 -4.135 -2.293 1.00 0.00 C ATOM 449 C LEU A 270 0.649 -4.835 -3.142 1.00 0.00 C ATOM 450 O LEU A 270 1.846 -4.599 -2.973 1.00 0.00 O ATOM 451 CB LEU A 270 -1.514 -3.449 -3.154 1.00 0.00 C ATOM 452 CG LEU A 270 -2.711 -2.881 -2.365 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.763 -2.386 -3.363 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.352 -3.912 -1.420 1.00 0.00 C ATOM 0 H LEU A 270 0.321 -2.243 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.902 -4.930 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.051 -2.638 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -1.887 -4.169 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.339 -2.068 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.617 -1.981 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.330 -1.608 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.091 -3.217 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.188 -3.452 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.711 -4.762 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.611 -4.253 -0.697 1.00 0.00 H new ATOM 466 N CYS A 271 0.225 -5.715 -4.056 1.00 0.00 N ATOM 467 CA CYS A 271 1.100 -6.518 -4.925 1.00 0.00 C ATOM 468 C CYS A 271 1.765 -5.709 -6.067 1.00 0.00 C ATOM 469 O CYS A 271 2.716 -6.183 -6.689 1.00 0.00 O ATOM 470 CB CYS A 271 0.238 -7.678 -5.462 1.00 0.00 C ATOM 471 SG CYS A 271 1.280 -8.965 -6.209 1.00 0.00 S ATOM 0 H CYS A 271 -0.766 -5.895 -4.218 1.00 0.00 H new ATOM 0 HA CYS A 271 1.947 -6.887 -4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 271 -0.350 -8.106 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 271 -0.468 -7.300 -6.202 1.00 0.00 H new ATOM 0 HG CYS A 271 2.331 -8.417 -6.742 1.00 0.00 H new ATOM 477 N GLY A 272 1.242 -4.516 -6.385 1.00 0.00 N ATOM 478 CA GLY A 272 1.654 -3.697 -7.545 1.00 0.00 C ATOM 479 C GLY A 272 1.004 -4.112 -8.875 1.00 0.00 C ATOM 480 O GLY A 272 1.122 -3.392 -9.865 1.00 0.00 O ATOM 0 H GLY A 272 0.504 -4.080 -5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.409 -2.654 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 272 2.737 -3.755 -7.650 1.00 0.00 H new ATOM 484 N ASN A 273 0.280 -5.238 -8.885 1.00 0.00 N ATOM 485 CA ASN A 273 -0.474 -5.773 -10.028 1.00 0.00 C ATOM 486 C ASN A 273 -1.995 -5.528 -9.892 1.00 0.00 C ATOM 487 O ASN A 273 -2.799 -6.150 -10.587 1.00 0.00 O ATOM 488 CB ASN A 273 -0.154 -7.272 -10.169 1.00 0.00 C ATOM 489 CG ASN A 273 1.322 -7.536 -10.459 1.00 0.00 C ATOM 490 OD1 ASN A 273 1.958 -6.855 -11.256 1.00 0.00 O ATOM 491 ND2 ASN A 273 1.910 -8.535 -9.828 1.00 0.00 N ATOM 0 H ASN A 273 0.199 -5.829 -8.058 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.167 -5.246 -10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -0.437 -7.787 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -0.759 -7.694 -10.972 1.00 0.00 H new ATOM 0 HD21 ASN A 273 2.894 -8.741 -10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 273 1.381 -9.101 -9.165 1.00 0.00 H new ATOM 498 N ILE A 274 -2.397 -4.641 -8.971 1.00 0.00 N ATOM 499 CA ILE A 274 -3.792 -4.261 -8.679 1.00 0.00 C ATOM 500 C ILE A 274 -3.912 -2.742 -8.807 1.00 0.00 C ATOM 501 O ILE A 274 -3.036 -2.014 -8.340 1.00 0.00 O ATOM 502 CB ILE A 274 -4.211 -4.721 -7.259 1.00 0.00 C ATOM 503 CG1 ILE A 274 -4.025 -6.247 -7.093 1.00 0.00 C ATOM 504 CG2 ILE A 274 -5.670 -4.313 -6.972 1.00 0.00 C ATOM 505 CD1 ILE A 274 -4.385 -6.782 -5.702 1.00 0.00 C ATOM 0 H ILE A 274 -1.730 -4.144 -8.380 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.459 -4.752 -9.388 1.00 0.00 H new ATOM 0 HB ILE A 274 -3.564 -4.226 -6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.638 -6.758 -7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -2.987 -6.500 -7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -5.950 -4.643 -5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -5.764 -3.229 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -6.329 -4.779 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -4.225 -7.860 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -3.755 -6.302 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -5.432 -6.565 -5.488 1.00 0.00 H new ATOM 517 N ASP A 275 -4.988 -2.259 -9.429 1.00 0.00 N ATOM 518 CA ASP A 275 -5.199 -0.833 -9.699 1.00 0.00 C ATOM 519 C ASP A 275 -6.171 -0.197 -8.679 1.00 0.00 C ATOM 520 O ASP A 275 -7.252 -0.750 -8.439 1.00 0.00 O ATOM 521 CB ASP A 275 -5.726 -0.669 -11.130 1.00 0.00 C ATOM 522 CG ASP A 275 -5.676 0.787 -11.615 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.481 1.602 -11.111 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.842 1.101 -12.495 1.00 0.00 O ATOM 0 H ASP A 275 -5.747 -2.852 -9.764 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.247 -0.312 -9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -5.138 -1.293 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.754 -1.029 -11.178 1.00 0.00 H new ATOM 529 N PRO A 276 -5.844 0.976 -8.103 1.00 0.00 N ATOM 530 CA PRO A 276 -6.681 1.631 -7.104 1.00 0.00 C ATOM 531 C PRO A 276 -8.056 2.087 -7.627 1.00 0.00 C ATOM 532 O PRO A 276 -8.947 2.350 -6.822 1.00 0.00 O ATOM 533 CB PRO A 276 -5.841 2.790 -6.558 1.00 0.00 C ATOM 534 CG PRO A 276 -4.831 3.087 -7.663 1.00 0.00 C ATOM 535 CD PRO A 276 -4.611 1.719 -8.300 1.00 0.00 C ATOM 0 HA PRO A 276 -6.950 0.923 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.460 3.661 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.342 2.515 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.219 3.809 -8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -3.905 3.500 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.381 1.816 -9.361 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.769 1.205 -7.837 1.00 0.00 H new ATOM 543 N SER A 277 -8.275 2.117 -8.949 1.00 0.00 N ATOM 544 CA SER A 277 -9.584 2.382 -9.575 1.00 0.00 C ATOM 545 C SER A 277 -10.557 1.179 -9.506 1.00 0.00 C ATOM 546 O SER A 277 -11.761 1.357 -9.715 1.00 0.00 O ATOM 547 CB SER A 277 -9.368 2.856 -11.028 1.00 0.00 C ATOM 548 OG SER A 277 -10.505 3.523 -11.567 1.00 0.00 O ATOM 0 H SER A 277 -7.533 1.955 -9.630 1.00 0.00 H new ATOM 0 HA SER A 277 -10.069 3.171 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.509 3.526 -11.062 1.00 0.00 H new ATOM 0 HB3 SER A 277 -9.127 1.997 -11.653 1.00 0.00 H new ATOM 0 HG SER A 277 -11.321 3.149 -11.173 1.00 0.00 H new ATOM 554 N VAL A 278 -10.079 -0.028 -9.155 1.00 0.00 N ATOM 555 CA VAL A 278 -10.908 -1.251 -9.018 1.00 0.00 C ATOM 556 C VAL A 278 -10.989 -1.778 -7.571 1.00 0.00 C ATOM 557 O VAL A 278 -11.370 -2.928 -7.348 1.00 0.00 O ATOM 558 CB VAL A 278 -10.526 -2.360 -10.035 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.647 -1.860 -11.487 1.00 0.00 C ATOM 560 CG2 VAL A 278 -9.131 -2.970 -9.824 1.00 0.00 C ATOM 0 H VAL A 278 -9.092 -0.189 -8.954 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.920 -0.939 -9.275 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.248 -3.155 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.372 -2.662 -12.172 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.675 -1.553 -11.682 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.980 -1.011 -11.636 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.950 -3.735 -10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.376 -2.189 -9.910 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -9.077 -3.419 -8.832 1.00 0.00 H new ATOM 570 N LEU A 279 -10.659 -0.940 -6.576 1.00 0.00 N ATOM 571 CA LEU A 279 -10.762 -1.267 -5.146 1.00 0.00 C ATOM 572 C LEU A 279 -12.047 -0.699 -4.503 1.00 0.00 C ATOM 573 O LEU A 279 -12.582 0.306 -4.988 1.00 0.00 O ATOM 574 CB LEU A 279 -9.502 -0.764 -4.416 1.00 0.00 C ATOM 575 CG LEU A 279 -8.218 -1.521 -4.809 1.00 0.00 C ATOM 576 CD1 LEU A 279 -7.012 -0.848 -4.153 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.276 -2.986 -4.344 1.00 0.00 C ATOM 0 H LEU A 279 -10.306 0.002 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.828 -2.351 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.368 0.297 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.654 -0.857 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.128 -1.498 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.103 -1.382 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.943 0.186 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.129 -0.868 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.358 -3.497 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.383 -3.020 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.129 -3.482 -4.808 1.00 0.00 H new ATOM 589 N PRO A 280 -12.550 -1.336 -3.424 1.00 0.00 N ATOM 590 CA PRO A 280 -13.802 -0.971 -2.767 1.00 0.00 C ATOM 591 C PRO A 280 -13.667 0.325 -1.958 1.00 0.00 C ATOM 592 O PRO A 280 -12.619 0.614 -1.386 1.00 0.00 O ATOM 593 CB PRO A 280 -14.158 -2.167 -1.874 1.00 0.00 C ATOM 594 CG PRO A 280 -12.813 -2.824 -1.575 1.00 0.00 C ATOM 595 CD PRO A 280 -11.991 -2.538 -2.821 1.00 0.00 C ATOM 0 HA PRO A 280 -14.588 -0.768 -3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.657 -1.847 -0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.834 -2.856 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.350 -2.402 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.919 -3.895 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.941 -2.391 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.037 -3.377 -3.516 1.00 0.00 H new ATOM 603 N ASP A 281 -14.763 1.087 -1.867 1.00 0.00 N ATOM 604 CA ASP A 281 -14.851 2.322 -1.068 1.00 0.00 C ATOM 605 C ASP A 281 -14.825 2.064 0.455 1.00 0.00 C ATOM 606 O ASP A 281 -14.636 2.991 1.240 1.00 0.00 O ATOM 607 CB ASP A 281 -16.125 3.090 -1.459 1.00 0.00 C ATOM 608 CG ASP A 281 -16.101 3.572 -2.919 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.434 4.597 -3.201 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.769 2.941 -3.773 1.00 0.00 O ATOM 0 H ASP A 281 -15.631 0.862 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.966 2.918 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.993 2.448 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.244 3.949 -0.799 1.00 0.00 H new ATOM 615 N ASN A 282 -14.955 0.800 0.867 1.00 0.00 N ATOM 616 CA ASN A 282 -14.921 0.330 2.255 1.00 0.00 C ATOM 617 C ASN A 282 -13.767 -0.672 2.481 1.00 0.00 C ATOM 618 O ASN A 282 -13.865 -1.579 3.312 1.00 0.00 O ATOM 619 CB ASN A 282 -16.304 -0.246 2.611 1.00 0.00 C ATOM 620 CG ASN A 282 -17.410 0.807 2.544 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.438 1.759 3.316 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.358 0.668 1.631 1.00 0.00 N ATOM 0 H ASN A 282 -15.094 0.036 0.206 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.715 1.161 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.541 -1.062 1.928 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.270 -0.670 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.111 1.353 1.570 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.335 -0.124 0.988 1.00 0.00 H new ATOM 629 N TRP A 283 -12.672 -0.532 1.719 1.00 0.00 N ATOM 630 CA TRP A 283 -11.426 -1.273 1.929 1.00 0.00 C ATOM 631 C TRP A 283 -10.880 -1.077 3.357 1.00 0.00 C ATOM 632 O TRP A 283 -10.836 0.040 3.867 1.00 0.00 O ATOM 633 CB TRP A 283 -10.380 -0.840 0.893 1.00 0.00 C ATOM 634 CG TRP A 283 -9.191 -1.737 0.885 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.012 -2.796 0.066 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.056 -1.729 1.802 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.856 -3.463 0.431 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.250 -2.869 1.520 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.652 -0.901 2.874 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.117 -3.180 2.282 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.531 -1.215 3.655 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.771 -2.357 3.363 1.00 0.00 C ATOM 0 H TRP A 283 -12.630 0.110 0.928 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.641 -2.334 1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.834 -0.833 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.062 0.181 1.105 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.667 -3.077 -0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.496 -4.290 -0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.218 -0.009 3.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.516 -4.044 2.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.253 -0.578 4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.915 -2.604 3.974 1.00 0.00 H new ATOM 653 N SER A 284 -10.415 -2.150 3.987 1.00 0.00 N ATOM 654 CA SER A 284 -9.866 -2.172 5.350 1.00 0.00 C ATOM 655 C SER A 284 -8.689 -3.152 5.435 1.00 0.00 C ATOM 656 O SER A 284 -8.475 -3.936 4.509 1.00 0.00 O ATOM 657 CB SER A 284 -10.963 -2.570 6.352 1.00 0.00 C ATOM 658 OG SER A 284 -11.453 -3.888 6.111 1.00 0.00 O ATOM 0 H SER A 284 -10.407 -3.071 3.548 1.00 0.00 H new ATOM 0 HA SER A 284 -9.505 -1.174 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.567 -2.510 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.787 -1.859 6.289 1.00 0.00 H new ATOM 0 HG SER A 284 -12.147 -4.104 6.768 1.00 0.00 H new ATOM 664 N CYS A 285 -7.945 -3.152 6.546 1.00 0.00 N ATOM 665 CA CYS A 285 -6.821 -4.074 6.761 1.00 0.00 C ATOM 666 C CYS A 285 -7.200 -5.558 6.506 1.00 0.00 C ATOM 667 O CYS A 285 -6.374 -6.340 6.038 1.00 0.00 O ATOM 668 CB CYS A 285 -6.284 -3.930 8.199 1.00 0.00 C ATOM 669 SG CYS A 285 -5.781 -2.240 8.626 1.00 0.00 S ATOM 0 H CYS A 285 -8.104 -2.512 7.324 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.053 -3.801 6.038 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.053 -4.258 8.899 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.431 -4.596 8.327 1.00 0.00 H new ATOM 674 N ASP A 286 -8.456 -5.941 6.761 1.00 0.00 N ATOM 675 CA ASP A 286 -9.011 -7.281 6.504 1.00 0.00 C ATOM 676 C ASP A 286 -9.046 -7.666 5.007 1.00 0.00 C ATOM 677 O ASP A 286 -9.199 -8.840 4.665 1.00 0.00 O ATOM 678 CB ASP A 286 -10.417 -7.336 7.123 1.00 0.00 C ATOM 679 CG ASP A 286 -11.040 -8.742 7.090 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.546 -9.636 7.819 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.049 -8.937 6.371 1.00 0.00 O ATOM 0 H ASP A 286 -9.142 -5.305 7.167 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.351 -8.017 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.366 -6.993 8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.069 -6.644 6.589 1.00 0.00 H new ATOM 686 N GLN A 287 -8.874 -6.690 4.113 1.00 0.00 N ATOM 687 CA GLN A 287 -8.927 -6.819 2.654 1.00 0.00 C ATOM 688 C GLN A 287 -7.526 -6.692 2.010 1.00 0.00 C ATOM 689 O GLN A 287 -7.403 -6.503 0.798 1.00 0.00 O ATOM 690 CB GLN A 287 -9.943 -5.780 2.136 1.00 0.00 C ATOM 691 CG GLN A 287 -11.382 -6.122 2.569 1.00 0.00 C ATOM 692 CD GLN A 287 -12.345 -4.952 2.379 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.833 -4.681 1.291 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.645 -4.204 3.420 1.00 0.00 N ATOM 0 H GLN A 287 -8.683 -5.732 4.405 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.262 -7.816 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.676 -4.792 2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.892 -5.733 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.737 -6.977 1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.381 -6.421 3.617 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.246 -4.418 4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.277 -3.411 3.313 1.00 0.00 H new ATOM 703 N ASN A 288 -6.458 -6.812 2.809 1.00 0.00 N ATOM 704 CA ASN A 288 -5.062 -6.790 2.354 1.00 0.00 C ATOM 705 C ASN A 288 -4.626 -8.081 1.633 1.00 0.00 C ATOM 706 O ASN A 288 -5.183 -9.160 1.863 1.00 0.00 O ATOM 707 CB ASN A 288 -4.141 -6.505 3.554 1.00 0.00 C ATOM 708 CG ASN A 288 -2.781 -5.972 3.120 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.684 -5.103 2.266 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.692 -6.503 3.643 1.00 0.00 N ATOM 0 H ASN A 288 -6.544 -6.930 3.818 1.00 0.00 H new ATOM 0 HA ASN A 288 -4.979 -5.995 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.620 -5.781 4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.004 -7.420 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.772 -6.188 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.770 -7.228 4.356 1.00 0.00 H new ATOM 717 N THR A 289 -3.584 -7.975 0.795 1.00 0.00 N ATOM 718 CA THR A 289 -2.990 -9.096 0.042 1.00 0.00 C ATOM 719 C THR A 289 -1.857 -9.792 0.791 1.00 0.00 C ATOM 720 O THR A 289 -1.521 -10.928 0.459 1.00 0.00 O ATOM 721 CB THR A 289 -2.483 -8.620 -1.324 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.626 -7.512 -1.147 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.632 -8.196 -2.239 1.00 0.00 C ATOM 0 H THR A 289 -3.117 -7.086 0.616 1.00 0.00 H new ATOM 0 HA THR A 289 -3.788 -9.827 -0.089 1.00 0.00 H new ATOM 0 HB THR A 289 -1.956 -9.454 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.300 -7.208 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.231 -7.865 -3.197 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.301 -9.041 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.184 -7.379 -1.775 1.00 0.00 H new ATOM 731 N ASP A 290 -1.291 -9.146 1.813 1.00 0.00 N ATOM 732 CA ASP A 290 -0.154 -9.634 2.599 1.00 0.00 C ATOM 733 C ASP A 290 -0.596 -10.018 4.023 1.00 0.00 C ATOM 734 O ASP A 290 -1.063 -9.169 4.788 1.00 0.00 O ATOM 735 CB ASP A 290 0.960 -8.564 2.616 1.00 0.00 C ATOM 736 CG ASP A 290 2.299 -9.120 2.103 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.760 -10.149 2.650 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.876 -8.532 1.156 1.00 0.00 O ATOM 0 H ASP A 290 -1.624 -8.235 2.128 1.00 0.00 H new ATOM 0 HA ASP A 290 0.243 -10.536 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.659 -7.717 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 290 1.088 -8.190 3.632 1.00 0.00 H new ATOM 743 N VAL A 291 -0.433 -11.294 4.387 1.00 0.00 N ATOM 744 CA VAL A 291 -0.941 -11.879 5.654 1.00 0.00 C ATOM 745 C VAL A 291 -0.241 -11.335 6.904 1.00 0.00 C ATOM 746 O VAL A 291 -0.756 -11.447 8.015 1.00 0.00 O ATOM 747 CB VAL A 291 -0.859 -13.423 5.681 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.698 -14.025 4.545 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.588 -13.944 5.592 1.00 0.00 C ATOM 0 H VAL A 291 0.063 -11.970 3.806 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.987 -11.573 5.679 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.260 -13.740 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.629 -15.112 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.739 -13.724 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.322 -13.667 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.584 -15.034 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.041 -13.602 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.164 -13.565 6.436 1.00 0.00 H new ATOM 759 N GLN A 292 0.927 -10.721 6.712 1.00 0.00 N ATOM 760 CA GLN A 292 1.704 -10.047 7.750 1.00 0.00 C ATOM 761 C GLN A 292 1.044 -8.761 8.262 1.00 0.00 C ATOM 762 O GLN A 292 1.393 -8.307 9.350 1.00 0.00 O ATOM 763 CB GLN A 292 3.137 -9.795 7.251 1.00 0.00 C ATOM 764 CG GLN A 292 3.258 -9.419 5.766 1.00 0.00 C ATOM 765 CD GLN A 292 4.621 -8.836 5.380 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.722 -7.791 4.751 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.722 -9.472 5.733 1.00 0.00 N ATOM 0 H GLN A 292 1.373 -10.678 5.796 1.00 0.00 H new ATOM 0 HA GLN A 292 1.742 -10.713 8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.577 -8.996 7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.730 -10.692 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.069 -10.306 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.482 -8.694 5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.661 -10.345 6.258 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.634 -9.091 5.481 1.00 0.00 H new ATOM 776 N TYR A 293 0.073 -8.202 7.527 1.00 0.00 N ATOM 777 CA TYR A 293 -0.647 -6.970 7.891 1.00 0.00 C ATOM 778 C TYR A 293 -2.145 -7.010 7.515 1.00 0.00 C ATOM 779 O TYR A 293 -2.768 -5.974 7.283 1.00 0.00 O ATOM 780 CB TYR A 293 0.076 -5.743 7.309 1.00 0.00 C ATOM 781 CG TYR A 293 1.493 -5.541 7.811 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.714 -4.796 8.983 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.585 -6.118 7.137 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.017 -4.626 9.485 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.888 -5.977 7.646 1.00 0.00 C ATOM 786 CZ TYR A 293 4.110 -5.232 8.826 1.00 0.00 C ATOM 787 OH TYR A 293 5.366 -5.126 9.340 1.00 0.00 O ATOM 0 H TYR A 293 -0.242 -8.601 6.643 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.634 -6.889 8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.100 -5.834 6.223 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.507 -4.852 7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.877 -4.351 9.501 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.422 -6.672 6.224 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.182 -4.033 10.373 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.720 -6.438 7.135 1.00 0.00 H new ATOM 0 HH TYR A 293 5.998 -5.602 8.761 1.00 0.00 H new ATOM 797 N ASN A 294 -2.736 -8.208 7.459 1.00 0.00 N ATOM 798 CA ASN A 294 -4.125 -8.430 7.027 1.00 0.00 C ATOM 799 C ASN A 294 -5.183 -8.265 8.145 1.00 0.00 C ATOM 800 O ASN A 294 -6.291 -8.796 8.037 1.00 0.00 O ATOM 801 CB ASN A 294 -4.238 -9.773 6.285 1.00 0.00 C ATOM 802 CG ASN A 294 -4.228 -11.001 7.198 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.862 -10.950 8.367 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.640 -12.148 6.685 1.00 0.00 N ATOM 0 H ASN A 294 -2.255 -9.069 7.717 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.369 -7.627 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.159 -9.776 5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.413 -9.854 5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.653 -12.989 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.945 -12.192 5.713 1.00 0.00 H new ATOM 811 N ARG A 295 -4.837 -7.558 9.231 1.00 0.00 N ATOM 812 CA ARG A 295 -5.694 -7.310 10.397 1.00 0.00 C ATOM 813 C ARG A 295 -5.490 -5.914 10.977 1.00 0.00 C ATOM 814 O ARG A 295 -4.362 -5.464 11.168 1.00 0.00 O ATOM 815 CB ARG A 295 -5.380 -8.339 11.492 1.00 0.00 C ATOM 816 CG ARG A 295 -6.248 -9.596 11.394 1.00 0.00 C ATOM 817 CD ARG A 295 -5.804 -10.592 12.466 1.00 0.00 C ATOM 818 NE ARG A 295 -6.701 -11.758 12.527 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.580 -12.803 13.341 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.601 -12.896 14.217 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.459 -13.781 13.281 1.00 0.00 N ATOM 0 H ARG A 295 -3.917 -7.127 9.323 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.728 -7.395 10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.330 -8.623 11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.525 -7.878 12.469 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.299 -9.340 11.530 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.154 -10.042 10.404 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.788 -10.925 12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.783 -10.097 13.437 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.492 -11.765 11.883 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.906 -12.153 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.538 -13.711 14.826 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.228 -13.735 12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.371 -14.585 13.903 1.00 0.00 H new ATOM 835 N CYS A 296 -6.592 -5.288 11.379 1.00 0.00 N ATOM 836 CA CYS A 296 -6.647 -3.990 12.051 1.00 0.00 C ATOM 837 C CYS A 296 -5.949 -3.929 13.428 1.00 0.00 C ATOM 838 O CYS A 296 -5.663 -2.842 13.937 1.00 0.00 O ATOM 839 CB CYS A 296 -8.134 -3.646 12.194 1.00 0.00 C ATOM 840 SG CYS A 296 -8.711 -2.756 10.725 1.00 0.00 S ATOM 0 H CYS A 296 -7.518 -5.691 11.239 1.00 0.00 H new ATOM 0 HA CYS A 296 -6.093 -3.272 11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.715 -4.558 12.328 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.290 -3.036 13.083 1.00 0.00 H new ATOM 845 N ASP A 297 -5.659 -5.087 14.025 1.00 0.00 N ATOM 846 CA ASP A 297 -4.989 -5.213 15.319 1.00 0.00 C ATOM 847 C ASP A 297 -3.461 -5.308 15.148 1.00 0.00 C ATOM 848 O ASP A 297 -2.718 -5.381 16.127 1.00 0.00 O ATOM 849 CB ASP A 297 -5.607 -6.418 16.039 1.00 0.00 C ATOM 850 CG ASP A 297 -5.165 -6.546 17.507 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.445 -5.620 18.306 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.584 -7.598 17.868 1.00 0.00 O ATOM 0 H ASP A 297 -5.891 -5.989 13.608 1.00 0.00 H new ATOM 0 HA ASP A 297 -5.142 -4.325 15.933 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.693 -6.337 16.000 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.336 -7.329 15.505 1.00 0.00 H new ATOM 857 N ILE A 298 -2.986 -5.273 13.896 1.00 0.00 N ATOM 858 CA ILE A 298 -1.568 -5.279 13.534 1.00 0.00 C ATOM 859 C ILE A 298 -1.107 -3.832 13.293 1.00 0.00 C ATOM 860 O ILE A 298 -1.778 -3.104 12.550 1.00 0.00 O ATOM 861 CB ILE A 298 -1.298 -6.169 12.299 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.846 -7.588 12.554 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.208 -6.210 12.002 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.596 -8.591 11.419 1.00 0.00 C ATOM 0 H ILE A 298 -3.601 -5.239 13.083 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.994 -5.708 14.356 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.806 -5.751 11.430 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.397 -7.976 13.468 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.920 -7.521 12.730 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.390 -6.839 11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.567 -5.200 11.802 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.737 -6.620 12.862 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.017 -9.559 11.690 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.070 -8.232 10.505 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.523 -8.695 11.255 1.00 0.00 H new ATOM 876 N PRO A 299 0.036 -3.418 13.872 1.00 0.00 N ATOM 877 CA PRO A 299 0.585 -2.074 13.730 1.00 0.00 C ATOM 878 C PRO A 299 0.971 -1.747 12.282 1.00 0.00 C ATOM 879 O PRO A 299 1.143 -2.636 11.452 1.00 0.00 O ATOM 880 CB PRO A 299 1.795 -2.045 14.668 1.00 0.00 C ATOM 881 CG PRO A 299 2.233 -3.503 14.780 1.00 0.00 C ATOM 882 CD PRO A 299 0.913 -4.255 14.678 1.00 0.00 C ATOM 0 HA PRO A 299 -0.150 -1.312 13.989 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.593 -1.421 14.265 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.531 -1.635 15.643 1.00 0.00 H new ATOM 0 HG2 PRO A 299 2.921 -3.782 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.741 -3.702 15.723 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.055 -5.231 14.215 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.486 -4.430 15.666 1.00 0.00 H new ATOM 890 N GLU A 300 1.097 -0.455 11.973 1.00 0.00 N ATOM 891 CA GLU A 300 1.476 0.044 10.657 1.00 0.00 C ATOM 892 C GLU A 300 2.933 -0.330 10.303 1.00 0.00 C ATOM 893 O GLU A 300 3.823 -0.269 11.158 1.00 0.00 O ATOM 894 CB GLU A 300 1.262 1.571 10.651 1.00 0.00 C ATOM 895 CG GLU A 300 0.875 2.038 9.252 1.00 0.00 C ATOM 896 CD GLU A 300 0.840 3.564 9.085 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.700 4.283 9.649 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.059 4.041 8.358 1.00 0.00 O ATOM 0 H GLU A 300 0.933 0.289 12.651 1.00 0.00 H new ATOM 0 HA GLU A 300 0.854 -0.420 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.481 1.840 11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.173 2.075 10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.581 1.621 8.534 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.107 1.634 9.005 1.00 0.00 H new ATOM 905 N GLU A 301 3.186 -0.709 9.043 1.00 0.00 N ATOM 906 CA GLU A 301 4.533 -1.003 8.528 1.00 0.00 C ATOM 907 C GLU A 301 5.440 0.242 8.593 1.00 0.00 C ATOM 908 O GLU A 301 4.994 1.371 8.358 1.00 0.00 O ATOM 909 CB GLU A 301 4.417 -1.559 7.093 1.00 0.00 C ATOM 910 CG GLU A 301 5.736 -1.777 6.330 1.00 0.00 C ATOM 911 CD GLU A 301 6.646 -2.855 6.946 1.00 0.00 C ATOM 912 OE1 GLU A 301 7.209 -2.624 8.041 1.00 0.00 O ATOM 913 OE2 GLU A 301 6.844 -3.912 6.302 1.00 0.00 O ATOM 0 H GLU A 301 2.453 -0.822 8.343 1.00 0.00 H new ATOM 0 HA GLU A 301 5.003 -1.759 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.888 -2.511 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 301 3.796 -0.877 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 301 5.507 -2.054 5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 301 6.282 -0.834 6.292 1.00 0.00 H new ATOM 920 N THR A 302 6.730 0.029 8.889 1.00 0.00 N ATOM 921 CA THR A 302 7.763 1.071 8.997 1.00 0.00 C ATOM 922 C THR A 302 8.363 1.321 7.615 1.00 0.00 C ATOM 923 O THR A 302 9.433 0.819 7.273 1.00 0.00 O ATOM 924 CB THR A 302 8.818 0.685 10.049 1.00 0.00 C ATOM 925 OG1 THR A 302 8.182 0.318 11.256 1.00 0.00 O ATOM 926 CG2 THR A 302 9.767 1.845 10.364 1.00 0.00 C ATOM 0 H THR A 302 7.096 -0.906 9.066 1.00 0.00 H new ATOM 0 HA THR A 302 7.321 2.005 9.343 1.00 0.00 H new ATOM 0 HB THR A 302 9.390 -0.144 9.632 1.00 0.00 H new ATOM 0 HG1 THR A 302 8.859 0.072 11.921 1.00 0.00 H new ATOM 0 HG21 THR A 302 10.494 1.527 11.111 1.00 0.00 H new ATOM 0 HG22 THR A 302 10.288 2.146 9.455 1.00 0.00 H new ATOM 0 HG23 THR A 302 9.195 2.688 10.750 1.00 0.00 H new ATOM 934 N TRP A 303 7.655 2.108 6.804 1.00 0.00 N ATOM 935 CA TRP A 303 7.977 2.394 5.396 1.00 0.00 C ATOM 936 C TRP A 303 9.005 3.534 5.190 1.00 0.00 C ATOM 937 O TRP A 303 9.169 4.031 4.072 1.00 0.00 O ATOM 938 CB TRP A 303 6.653 2.650 4.649 1.00 0.00 C ATOM 939 CG TRP A 303 5.927 3.913 5.020 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.101 4.063 6.081 1.00 0.00 C ATOM 941 CD2 TRP A 303 5.951 5.218 4.357 1.00 0.00 C ATOM 942 NE1 TRP A 303 4.641 5.363 6.141 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.144 6.125 5.109 1.00 0.00 C ATOM 944 CE3 TRP A 303 6.569 5.729 3.193 1.00 0.00 C ATOM 945 CZ2 TRP A 303 4.984 7.471 4.746 1.00 0.00 C ATOM 946 CZ3 TRP A 303 6.417 7.079 2.820 1.00 0.00 C ATOM 947 CH2 TRP A 303 5.638 7.952 3.599 1.00 0.00 C ATOM 0 H TRP A 303 6.809 2.584 7.117 1.00 0.00 H new ATOM 0 HA TRP A 303 8.485 1.524 4.980 1.00 0.00 H new ATOM 0 HB2 TRP A 303 6.860 2.673 3.579 1.00 0.00 H new ATOM 0 HB3 TRP A 303 5.988 1.805 4.827 1.00 0.00 H new ATOM 0 HD1 TRP A 303 4.840 3.281 6.778 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.008 5.715 6.859 1.00 0.00 H new ATOM 0 HE3 TRP A 303 7.168 5.073 2.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.367 8.128 5.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 6.903 7.446 1.928 1.00 0.00 H new ATOM 0 HH2 TRP A 303 5.542 8.990 3.317 1.00 0.00 H new ATOM 958 N THR A 304 9.674 3.963 6.271 1.00 0.00 N ATOM 959 CA THR A 304 10.555 5.146 6.338 1.00 0.00 C ATOM 960 C THR A 304 11.722 5.087 5.344 1.00 0.00 C ATOM 961 O THR A 304 12.264 4.016 5.063 1.00 0.00 O ATOM 962 CB THR A 304 11.031 5.364 7.784 1.00 0.00 C ATOM 963 OG1 THR A 304 11.564 6.667 7.889 1.00 0.00 O ATOM 964 CG2 THR A 304 12.102 4.371 8.244 1.00 0.00 C ATOM 0 H THR A 304 9.615 3.475 7.165 1.00 0.00 H new ATOM 0 HA THR A 304 9.968 6.012 6.032 1.00 0.00 H new ATOM 0 HB THR A 304 10.162 5.214 8.424 1.00 0.00 H new ATOM 0 HG1 THR A 304 11.871 6.822 8.807 1.00 0.00 H new ATOM 0 HG21 THR A 304 12.384 4.591 9.273 1.00 0.00 H new ATOM 0 HG22 THR A 304 11.707 3.357 8.185 1.00 0.00 H new ATOM 0 HG23 THR A 304 12.978 4.457 7.601 1.00 0.00 H new ATOM 972 N GLY A 305 12.098 6.257 4.815 1.00 0.00 N ATOM 973 CA GLY A 305 13.203 6.457 3.868 1.00 0.00 C ATOM 974 C GLY A 305 14.447 7.004 4.568 1.00 0.00 C ATOM 975 O GLY A 305 15.266 6.237 5.082 1.00 0.00 O ATOM 0 H GLY A 305 11.620 7.128 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 305 13.443 5.511 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 305 12.892 7.148 3.084 1.00 0.00 H new ATOM 979 N LEU A 306 14.581 8.335 4.585 1.00 0.00 N ATOM 980 CA LEU A 306 15.705 9.077 5.167 1.00 0.00 C ATOM 981 C LEU A 306 15.211 10.441 5.673 1.00 0.00 C ATOM 982 O LEU A 306 14.649 11.227 4.907 1.00 0.00 O ATOM 983 CB LEU A 306 16.812 9.209 4.097 1.00 0.00 C ATOM 984 CG LEU A 306 18.059 10.002 4.542 1.00 0.00 C ATOM 985 CD1 LEU A 306 18.788 9.332 5.717 1.00 0.00 C ATOM 986 CD2 LEU A 306 19.023 10.135 3.354 1.00 0.00 C ATOM 0 H LEU A 306 13.879 8.951 4.176 1.00 0.00 H new ATOM 0 HA LEU A 306 16.124 8.550 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 306 17.125 8.210 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 306 16.389 9.691 3.216 1.00 0.00 H new ATOM 0 HG LEU A 306 17.725 10.983 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 306 19.658 9.928 5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 306 18.113 9.259 6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 306 19.111 8.333 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 306 19.906 10.695 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 306 19.322 9.143 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 306 18.526 10.662 2.539 1.00 0.00 H new ATOM 998 N GLU A 307 15.425 10.714 6.964 1.00 0.00 N ATOM 999 CA GLU A 307 14.960 11.911 7.696 1.00 0.00 C ATOM 1000 C GLU A 307 15.733 12.105 9.018 1.00 0.00 C ATOM 1001 O GLU A 307 15.753 11.171 9.853 1.00 0.00 O ATOM 1002 CB GLU A 307 13.436 11.811 7.933 1.00 0.00 C ATOM 1003 CG GLU A 307 12.796 13.079 8.524 1.00 0.00 C ATOM 1004 CD GLU A 307 12.751 14.256 7.519 1.00 0.00 C ATOM 1005 OE1 GLU A 307 11.855 14.279 6.636 1.00 0.00 O ATOM 1006 OE2 GLU A 307 13.582 15.194 7.623 1.00 0.00 O ATOM 1007 OXT GLU A 307 16.359 13.175 9.192 1.00 0.00 O ATOM 0 H GLU A 307 15.953 10.079 7.562 1.00 0.00 H new ATOM 0 HA GLU A 307 15.161 12.794 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 307 12.948 11.581 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 307 13.240 10.974 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 307 11.782 12.849 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 307 13.356 13.384 9.408 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.391 4.571 1.979 1.00 0.00 N ATOM 1016 CA ALA B 1 -11.031 4.080 1.645 1.00 0.00 C ATOM 1017 C ALA B 1 -10.239 5.194 0.955 1.00 0.00 C ATOM 1018 O ALA B 1 -10.819 5.964 0.185 1.00 0.00 O ATOM 1019 CB ALA B 1 -11.086 2.824 0.748 1.00 0.00 C ATOM 0 H1 ALA B 1 -12.473 4.694 3.008 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.556 5.483 1.507 1.00 0.00 H new ATOM 0 H3 ALA B 1 -13.098 3.881 1.655 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.531 3.798 2.572 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.072 2.492 0.524 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.621 2.029 1.267 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.604 3.063 -0.181 1.00 0.00 H new ATOM 1027 N ARG B 2 -8.924 5.269 1.203 1.00 0.00 N ATOM 1028 CA ARG B 2 -7.996 6.137 0.454 1.00 0.00 C ATOM 1029 C ARG B 2 -6.956 5.289 -0.273 1.00 0.00 C ATOM 1030 O ARG B 2 -6.645 4.174 0.154 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.298 7.153 1.377 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.153 8.536 0.724 1.00 0.00 C ATOM 1033 CD ARG B 2 -6.525 9.537 1.703 1.00 0.00 C ATOM 1034 NE ARG B 2 -6.366 10.867 1.085 1.00 0.00 N ATOM 1035 CZ ARG B 2 -7.282 11.827 0.999 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -8.498 11.680 1.482 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -6.982 12.964 0.407 1.00 0.00 N ATOM 0 H ARG B 2 -8.467 4.725 1.935 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.581 6.697 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.866 7.249 2.302 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.311 6.776 1.647 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.535 8.458 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.131 8.897 0.405 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.150 9.620 2.592 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -5.553 9.168 2.030 1.00 0.00 H new ATOM 0 HE ARG B 2 -5.453 11.073 0.679 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -8.763 10.808 1.940 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -9.175 12.438 1.398 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -6.050 13.105 0.017 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -7.681 13.703 0.339 1.00 0.00 H new ATOM 1051 N THR B 3 -6.396 5.847 -1.342 1.00 0.00 N ATOM 1052 CA THR B 3 -5.383 5.222 -2.201 1.00 0.00 C ATOM 1053 C THR B 3 -4.329 6.244 -2.587 1.00 0.00 C ATOM 1054 O THR B 3 -4.624 7.418 -2.811 1.00 0.00 O ATOM 1055 CB THR B 3 -6.003 4.595 -3.459 1.00 0.00 C ATOM 1056 OG1 THR B 3 -6.949 5.459 -4.053 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.673 3.257 -3.155 1.00 0.00 C ATOM 0 H THR B 3 -6.643 6.787 -1.651 1.00 0.00 H new ATOM 0 HA THR B 3 -4.918 4.417 -1.632 1.00 0.00 H new ATOM 0 HB THR B 3 -5.181 4.428 -4.155 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.325 5.033 -4.852 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.099 2.847 -4.071 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.934 2.562 -2.756 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.465 3.405 -2.421 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.090 5.765 -2.667 1.00 0.00 N HETATM 1066 CA M3L B 4 -1.918 6.505 -3.159 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.223 7.233 -1.983 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.377 6.292 -1.107 1.00 0.00 C HETATM 1069 CD M3L B 4 0.361 7.011 0.026 1.00 0.00 C HETATM 1070 CE M3L B 4 1.467 6.064 0.545 1.00 0.00 C HETATM 1071 NZ M3L B 4 2.219 6.537 1.719 1.00 0.00 N HETATM 1072 C M3L B 4 -0.945 5.600 -3.926 1.00 0.00 C HETATM 1073 O M3L B 4 -1.094 4.378 -3.952 1.00 0.00 O HETATM 1074 CM1 M3L B 4 2.899 7.797 1.443 1.00 0.00 C HETATM 1075 CM2 M3L B 4 3.237 5.535 2.025 1.00 0.00 C HETATM 1076 CM3 M3L B 4 1.367 6.698 2.897 1.00 0.00 C HETATM 0 HM33 M3L B 4 0.584 7.425 2.683 1.00 0.00 H new HETATM 0 HM32 M3L B 4 0.913 5.740 3.151 1.00 0.00 H new HETATM 0 HM31 M3L B 4 1.968 7.048 3.736 1.00 0.00 H new HETATM 0 HM23 M3L B 4 2.755 4.581 2.242 1.00 0.00 H new HETATM 0 HM22 M3L B 4 3.902 5.419 1.169 1.00 0.00 H new HETATM 0 HM21 M3L B 4 3.814 5.856 2.893 1.00 0.00 H new HETATM 0 HM13 M3L B 4 3.597 7.660 0.617 1.00 0.00 H new HETATM 0 HM12 M3L B 4 2.164 8.556 1.175 1.00 0.00 H new HETATM 0 HM11 M3L B 4 3.445 8.118 2.330 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.025 5.526 -0.680 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.351 5.779 -1.736 1.00 0.00 H new HETATM 0 HE3 M3L B 4 1.011 5.105 0.792 1.00 0.00 H new HETATM 0 HE2 M3L B 4 2.173 5.882 -0.266 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.795 7.945 -0.333 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.330 7.268 0.829 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.585 8.023 -2.379 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -1.979 7.715 -1.363 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.262 7.253 -3.873 1.00 0.00 H new ATOM 1096 N GLN B 5 0.099 6.217 -4.469 1.00 0.00 N ATOM 1097 CA GLN B 5 1.267 5.537 -5.026 1.00 0.00 C ATOM 1098 C GLN B 5 2.553 6.211 -4.528 1.00 0.00 C ATOM 1099 O GLN B 5 2.548 7.396 -4.178 1.00 0.00 O ATOM 1100 CB GLN B 5 1.219 5.503 -6.563 1.00 0.00 C ATOM 1101 CG GLN B 5 0.138 4.549 -7.094 1.00 0.00 C ATOM 1102 CD GLN B 5 0.251 4.325 -8.603 1.00 0.00 C ATOM 1103 OE1 GLN B 5 1.271 3.885 -9.122 1.00 0.00 O ATOM 1104 NE2 GLN B 5 -0.782 4.611 -9.373 1.00 0.00 N ATOM 0 H GLN B 5 0.159 7.233 -4.537 1.00 0.00 H new ATOM 0 HA GLN B 5 1.258 4.503 -4.682 1.00 0.00 H new ATOM 0 HB2 GLN B 5 1.030 6.508 -6.940 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.192 5.196 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN B 5 0.218 3.591 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -0.847 4.954 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -1.640 4.978 -8.960 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -0.723 4.465 -10.381 1.00 0.00 H new ATOM 1113 N THR B 6 3.653 5.450 -4.507 1.00 0.00 N ATOM 1114 CA THR B 6 4.985 5.900 -4.072 1.00 0.00 C ATOM 1115 C THR B 6 6.085 5.166 -4.851 1.00 0.00 C ATOM 1116 O THR B 6 5.802 4.445 -5.812 1.00 0.00 O ATOM 1117 CB THR B 6 5.104 5.790 -2.543 1.00 0.00 C ATOM 1118 OG1 THR B 6 6.188 6.588 -2.119 1.00 0.00 O ATOM 1119 CG2 THR B 6 5.320 4.362 -2.043 1.00 0.00 C ATOM 0 H THR B 6 3.643 4.473 -4.801 1.00 0.00 H new ATOM 0 HA THR B 6 5.122 6.955 -4.308 1.00 0.00 H new ATOM 0 HB THR B 6 4.156 6.129 -2.125 1.00 0.00 H new ATOM 0 HG1 THR B 6 6.276 6.530 -1.145 1.00 0.00 H new ATOM 0 HG21 THR B 6 5.394 4.365 -0.956 1.00 0.00 H new ATOM 0 HG22 THR B 6 4.479 3.739 -2.348 1.00 0.00 H new ATOM 0 HG23 THR B 6 6.241 3.963 -2.469 1.00 0.00 H new ATOM 1127 N ALA B 7 7.339 5.331 -4.432 1.00 0.00 N ATOM 1128 CA ALA B 7 8.508 4.631 -4.960 1.00 0.00 C ATOM 1129 C ALA B 7 9.512 4.302 -3.839 1.00 0.00 C ATOM 1130 O ALA B 7 9.883 5.171 -3.043 1.00 0.00 O ATOM 1131 CB ALA B 7 9.139 5.484 -6.070 1.00 0.00 C ATOM 0 H ALA B 7 7.577 5.983 -3.685 1.00 0.00 H new ATOM 0 HA ALA B 7 8.202 3.676 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA B 7 10.013 4.971 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA B 7 8.412 5.640 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA B 7 9.441 6.448 -5.661 1.00 0.00 H new ATOM 1137 N ARG B 8 9.957 3.042 -3.793 1.00 0.00 N ATOM 1138 CA ARG B 8 11.018 2.556 -2.899 1.00 0.00 C ATOM 1139 C ARG B 8 12.406 3.007 -3.378 1.00 0.00 C ATOM 1140 O ARG B 8 12.593 3.377 -4.539 1.00 0.00 O ATOM 1141 CB ARG B 8 10.944 1.018 -2.793 1.00 0.00 C ATOM 1142 CG ARG B 8 9.941 0.523 -1.737 1.00 0.00 C ATOM 1143 CD ARG B 8 10.403 0.676 -0.277 1.00 0.00 C ATOM 1144 NE ARG B 8 11.698 0.017 -0.007 1.00 0.00 N ATOM 1145 CZ ARG B 8 11.948 -1.287 0.057 1.00 0.00 C ATOM 1146 NH1 ARG B 8 11.019 -2.208 -0.084 1.00 0.00 N ATOM 1147 NH2 ARG B 8 13.171 -1.709 0.271 1.00 0.00 N ATOM 0 H ARG B 8 9.579 2.309 -4.394 1.00 0.00 H new ATOM 0 HA ARG B 8 10.862 2.988 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG B 8 10.669 0.608 -3.765 1.00 0.00 H new ATOM 0 HB3 ARG B 8 11.934 0.630 -2.552 1.00 0.00 H new ATOM 0 HG2 ARG B 8 9.005 1.066 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG B 8 9.727 -0.529 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG B 8 10.485 1.736 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG B 8 9.644 0.257 0.384 1.00 0.00 H new ATOM 0 HE ARG B 8 12.494 0.636 0.149 1.00 0.00 H new ATOM 0 HH11 ARG B 8 10.051 -1.934 -0.252 1.00 0.00 H new ATOM 0 HH12 ARG B 8 11.267 -3.196 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG B 8 13.929 -1.037 0.388 1.00 0.00 H new ATOM 0 HH22 ARG B 8 13.364 -2.709 0.320 1.00 0.00 H new ATOM 1161 N LYS B 9 13.381 2.961 -2.463 1.00 0.00 N ATOM 1162 CA LYS B 9 14.805 3.289 -2.693 1.00 0.00 C ATOM 1163 C LYS B 9 15.049 4.803 -2.948 1.00 0.00 C ATOM 1164 O LYS B 9 16.024 5.195 -3.596 1.00 0.00 O ATOM 1165 CB LYS B 9 15.375 2.338 -3.775 1.00 0.00 C ATOM 1166 CG LYS B 9 16.893 2.122 -3.677 1.00 0.00 C ATOM 1167 CD LYS B 9 17.364 1.148 -4.768 1.00 0.00 C ATOM 1168 CE LYS B 9 18.875 0.873 -4.701 1.00 0.00 C ATOM 1169 NZ LYS B 9 19.691 2.061 -5.072 1.00 0.00 N ATOM 0 H LYS B 9 13.198 2.683 -1.499 1.00 0.00 H new ATOM 0 HA LYS B 9 15.371 3.110 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS B 9 14.875 1.373 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS B 9 15.138 2.741 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS B 9 17.411 3.075 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS B 9 17.149 1.728 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS B 9 16.822 0.207 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS B 9 17.116 1.557 -5.747 1.00 0.00 H new ATOM 0 HE2 LYS B 9 19.138 0.557 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS B 9 19.120 0.046 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.701 1.821 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 19.462 2.349 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 19.480 2.844 -4.421 1.00 0.00 H new ATOM 1183 N SER B 10 14.144 5.657 -2.446 1.00 0.00 N ATOM 1184 CA SER B 10 14.227 7.133 -2.482 1.00 0.00 C ATOM 1185 C SER B 10 15.409 7.664 -1.653 1.00 0.00 C ATOM 1186 O SER B 10 16.215 8.457 -2.193 1.00 0.00 O ATOM 1187 CB SER B 10 12.901 7.719 -1.990 1.00 0.00 C ATOM 1188 OG SER B 10 12.865 9.116 -2.232 1.00 0.00 O ATOM 1189 OXT SER B 10 15.549 7.256 -0.476 1.00 0.00 O ATOM 0 H SER B 10 13.297 5.328 -1.983 1.00 0.00 H new ATOM 0 HA SER B 10 14.406 7.447 -3.510 1.00 0.00 H new ATOM 0 HB2 SER B 10 12.069 7.233 -2.499 1.00 0.00 H new ATOM 0 HB3 SER B 10 12.781 7.524 -0.924 1.00 0.00 H new ATOM 0 HG SER B 10 12.012 9.481 -1.915 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.422 -1.227 9.750 1.00 0.00 ZN