USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=20 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= 0.475 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.975 K(o=1.4,f=0.94) USER MOD Set 2.1: A 271 CYS SG : rot 180:sc= 0.253 USER MOD Set 2.2: A 273 ASN : amide:sc= 0.225 X(o=0.48,f=0.052) USER MOD Single : A 240 SER OG : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 SER OG : rot 180:sc= 0 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= 0.547 K(o=0.55,f=-3.7!) USER MOD Single : A 253 CYS SG : rot 180:sc= 0 USER MOD Single : A 258 GLN : amide:sc= 0.557 K(o=0.56,f=-1) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.0936 K(o=-0.094,f=-0.83) USER MOD Single : A 266 LYS NZ :NH3+ 136:sc= 1.38 (180deg=-0.0711) USER MOD Single : A 277 SER OG : rot -26:sc= 0.00543 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.34) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00566 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= -0.258 K(o=-0.26,f=-1.1) 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+ 143:sc= 1.1 (180deg=0.286) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.22 USER MOD Single : B 9 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.18) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 239 0.845 -23.497 1.357 1.00 0.00 N ATOM 2 CA GLY A 239 2.174 -22.871 1.177 1.00 0.00 C ATOM 3 C GLY A 239 2.687 -23.064 -0.242 1.00 0.00 C ATOM 4 O GLY A 239 2.520 -24.135 -0.824 1.00 0.00 O ATOM 0 HA2 GLY A 239 2.110 -21.806 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 239 2.881 -23.304 1.884 1.00 0.00 H new ATOM 10 N SER A 240 3.320 -22.040 -0.818 1.00 0.00 N ATOM 11 CA SER A 240 3.867 -22.045 -2.187 1.00 0.00 C ATOM 12 C SER A 240 4.855 -20.879 -2.400 1.00 0.00 C ATOM 13 O SER A 240 4.812 -19.872 -1.687 1.00 0.00 O ATOM 14 CB SER A 240 2.722 -21.963 -3.217 1.00 0.00 C ATOM 15 OG SER A 240 3.177 -22.237 -4.538 1.00 0.00 O ATOM 0 H SER A 240 3.474 -21.155 -0.335 1.00 0.00 H new ATOM 0 HA SER A 240 4.411 -22.979 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 240 1.940 -22.673 -2.948 1.00 0.00 H new ATOM 0 HB3 SER A 240 2.275 -20.969 -3.185 1.00 0.00 H new ATOM 0 HG SER A 240 2.424 -22.177 -5.162 1.00 0.00 H new ATOM 21 N SER A 241 5.738 -20.992 -3.395 1.00 0.00 N ATOM 22 CA SER A 241 6.687 -19.951 -3.819 1.00 0.00 C ATOM 23 C SER A 241 7.205 -20.255 -5.238 1.00 0.00 C ATOM 24 O SER A 241 7.719 -21.350 -5.499 1.00 0.00 O ATOM 25 CB SER A 241 7.857 -19.842 -2.827 1.00 0.00 C ATOM 26 OG SER A 241 8.700 -18.745 -3.160 1.00 0.00 O ATOM 0 H SER A 241 5.817 -21.843 -3.951 1.00 0.00 H new ATOM 0 HA SER A 241 6.168 -18.993 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 241 7.472 -19.716 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 241 8.435 -20.766 -2.836 1.00 0.00 H new ATOM 0 HG SER A 241 9.437 -18.692 -2.516 1.00 0.00 H new ATOM 32 N GLY A 242 7.033 -19.308 -6.171 1.00 0.00 N ATOM 33 CA GLY A 242 7.365 -19.482 -7.595 1.00 0.00 C ATOM 34 C GLY A 242 7.516 -18.183 -8.394 1.00 0.00 C ATOM 35 O GLY A 242 7.335 -18.192 -9.611 1.00 0.00 O ATOM 0 H GLY A 242 6.654 -18.386 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 242 8.296 -20.045 -7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 242 6.588 -20.088 -8.061 1.00 0.00 H new ATOM 39 N SER A 243 7.818 -17.068 -7.730 1.00 0.00 N ATOM 40 CA SER A 243 8.030 -15.763 -8.379 1.00 0.00 C ATOM 41 C SER A 243 9.445 -15.644 -8.988 1.00 0.00 C ATOM 42 O SER A 243 10.393 -16.296 -8.538 1.00 0.00 O ATOM 43 CB SER A 243 7.766 -14.637 -7.368 1.00 0.00 C ATOM 44 OG SER A 243 7.638 -13.373 -8.009 1.00 0.00 O ATOM 0 H SER A 243 7.925 -17.039 -6.716 1.00 0.00 H new ATOM 0 HA SER A 243 7.326 -15.674 -9.206 1.00 0.00 H new ATOM 0 HB2 SER A 243 6.856 -14.856 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 243 8.582 -14.598 -6.646 1.00 0.00 H new ATOM 0 HG SER A 243 7.469 -12.681 -7.336 1.00 0.00 H new ATOM 50 N SER A 244 9.611 -14.801 -10.009 1.00 0.00 N ATOM 51 CA SER A 244 10.866 -14.620 -10.760 1.00 0.00 C ATOM 52 C SER A 244 10.913 -13.264 -11.494 1.00 0.00 C ATOM 53 O SER A 244 9.873 -12.667 -11.803 1.00 0.00 O ATOM 54 CB SER A 244 11.092 -15.792 -11.736 1.00 0.00 C ATOM 55 OG SER A 244 10.049 -15.918 -12.699 1.00 0.00 O ATOM 0 H SER A 244 8.857 -14.205 -10.350 1.00 0.00 H new ATOM 0 HA SER A 244 11.681 -14.615 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 244 12.042 -15.651 -12.252 1.00 0.00 H new ATOM 0 HB3 SER A 244 11.172 -16.720 -11.170 1.00 0.00 H new ATOM 0 HG SER A 244 10.242 -16.673 -13.293 1.00 0.00 H new ATOM 61 N GLY A 245 12.129 -12.754 -11.741 1.00 0.00 N ATOM 62 CA GLY A 245 12.375 -11.395 -12.245 1.00 0.00 C ATOM 63 C GLY A 245 12.337 -10.333 -11.137 1.00 0.00 C ATOM 64 O GLY A 245 11.882 -10.591 -10.020 1.00 0.00 O ATOM 0 H GLY A 245 12.986 -13.286 -11.593 1.00 0.00 H new ATOM 0 HA2 GLY A 245 13.347 -11.365 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 245 11.628 -11.152 -13.001 1.00 0.00 H new ATOM 68 N GLU A 246 12.815 -9.128 -11.453 1.00 0.00 N ATOM 69 CA GLU A 246 12.895 -7.978 -10.542 1.00 0.00 C ATOM 70 C GLU A 246 13.096 -6.673 -11.338 1.00 0.00 C ATOM 71 O GLU A 246 13.631 -6.691 -12.450 1.00 0.00 O ATOM 72 CB GLU A 246 14.022 -8.201 -9.507 1.00 0.00 C ATOM 73 CG GLU A 246 14.120 -7.142 -8.398 1.00 0.00 C ATOM 74 CD GLU A 246 12.811 -7.002 -7.605 1.00 0.00 C ATOM 75 OE1 GLU A 246 11.906 -6.268 -8.065 1.00 0.00 O ATOM 76 OE2 GLU A 246 12.685 -7.624 -6.523 1.00 0.00 O ATOM 0 H GLU A 246 13.171 -8.915 -12.385 1.00 0.00 H new ATOM 0 HA GLU A 246 11.956 -7.884 -9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 246 13.877 -9.176 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 246 14.975 -8.238 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 246 14.928 -7.407 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 246 14.379 -6.180 -8.840 1.00 0.00 H new ATOM 83 N ILE A 247 12.660 -5.540 -10.777 1.00 0.00 N ATOM 84 CA ILE A 247 12.696 -4.206 -11.402 1.00 0.00 C ATOM 85 C ILE A 247 13.342 -3.194 -10.440 1.00 0.00 C ATOM 86 O ILE A 247 13.022 -3.155 -9.250 1.00 0.00 O ATOM 87 CB ILE A 247 11.270 -3.763 -11.832 1.00 0.00 C ATOM 88 CG1 ILE A 247 10.589 -4.847 -12.707 1.00 0.00 C ATOM 89 CG2 ILE A 247 11.328 -2.408 -12.572 1.00 0.00 C ATOM 90 CD1 ILE A 247 9.212 -4.472 -13.271 1.00 0.00 C ATOM 0 H ILE A 247 12.257 -5.522 -9.840 1.00 0.00 H new ATOM 0 HA ILE A 247 13.306 -4.250 -12.304 1.00 0.00 H new ATOM 0 HB ILE A 247 10.665 -3.637 -10.934 1.00 0.00 H new ATOM 0 HG12 ILE A 247 11.251 -5.085 -13.540 1.00 0.00 H new ATOM 0 HG13 ILE A 247 10.484 -5.755 -12.113 1.00 0.00 H new ATOM 0 HG21 ILE A 247 10.322 -2.111 -12.867 1.00 0.00 H new ATOM 0 HG22 ILE A 247 11.751 -1.651 -11.912 1.00 0.00 H new ATOM 0 HG23 ILE A 247 11.952 -2.505 -13.460 1.00 0.00 H new ATOM 0 HD11 ILE A 247 8.825 -5.299 -13.867 1.00 0.00 H new ATOM 0 HD12 ILE A 247 8.526 -4.265 -12.449 1.00 0.00 H new ATOM 0 HD13 ILE A 247 9.305 -3.585 -13.898 1.00 0.00 H new ATOM 102 N SER A 248 14.228 -2.346 -10.961 1.00 0.00 N ATOM 103 CA SER A 248 14.963 -1.312 -10.213 1.00 0.00 C ATOM 104 C SER A 248 15.024 0.002 -11.014 1.00 0.00 C ATOM 105 O SER A 248 15.075 -0.014 -12.249 1.00 0.00 O ATOM 106 CB SER A 248 16.393 -1.785 -9.898 1.00 0.00 C ATOM 107 OG SER A 248 16.407 -2.912 -9.029 1.00 0.00 O ATOM 0 H SER A 248 14.467 -2.356 -11.953 1.00 0.00 H new ATOM 0 HA SER A 248 14.430 -1.135 -9.279 1.00 0.00 H new ATOM 0 HB2 SER A 248 16.903 -2.039 -10.827 1.00 0.00 H new ATOM 0 HB3 SER A 248 16.951 -0.968 -9.440 1.00 0.00 H new ATOM 0 HG SER A 248 17.334 -3.181 -8.856 1.00 0.00 H new ATOM 113 N GLY A 249 15.020 1.150 -10.320 1.00 0.00 N ATOM 114 CA GLY A 249 15.013 2.483 -10.939 1.00 0.00 C ATOM 115 C GLY A 249 13.598 2.934 -11.312 1.00 0.00 C ATOM 116 O GLY A 249 12.689 2.882 -10.481 1.00 0.00 O ATOM 0 H GLY A 249 15.022 1.178 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 249 15.454 3.205 -10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 249 15.637 2.471 -11.832 1.00 0.00 H new ATOM 120 N PHE A 250 13.422 3.408 -12.548 1.00 0.00 N ATOM 121 CA PHE A 250 12.144 3.896 -13.085 1.00 0.00 C ATOM 122 C PHE A 250 11.148 2.757 -13.388 1.00 0.00 C ATOM 123 O PHE A 250 11.531 1.593 -13.531 1.00 0.00 O ATOM 124 CB PHE A 250 12.424 4.729 -14.349 1.00 0.00 C ATOM 125 CG PHE A 250 13.337 5.923 -14.130 1.00 0.00 C ATOM 126 CD1 PHE A 250 12.834 7.094 -13.531 1.00 0.00 C ATOM 127 CD2 PHE A 250 14.690 5.866 -14.521 1.00 0.00 C ATOM 128 CE1 PHE A 250 13.677 8.201 -13.324 1.00 0.00 C ATOM 129 CE2 PHE A 250 15.533 6.973 -14.313 1.00 0.00 C ATOM 130 CZ PHE A 250 15.026 8.140 -13.715 1.00 0.00 C ATOM 0 H PHE A 250 14.184 3.466 -13.223 1.00 0.00 H new ATOM 0 HA PHE A 250 11.669 4.514 -12.323 1.00 0.00 H new ATOM 0 HB2 PHE A 250 12.870 4.081 -15.104 1.00 0.00 H new ATOM 0 HB3 PHE A 250 11.475 5.083 -14.753 1.00 0.00 H new ATOM 0 HD1 PHE A 250 11.798 7.142 -13.230 1.00 0.00 H new ATOM 0 HD2 PHE A 250 15.080 4.970 -14.981 1.00 0.00 H new ATOM 0 HE1 PHE A 250 13.288 9.098 -12.865 1.00 0.00 H new ATOM 0 HE2 PHE A 250 16.570 6.926 -14.613 1.00 0.00 H new ATOM 0 HZ PHE A 250 15.673 8.990 -13.556 1.00 0.00 H new ATOM 140 N GLY A 251 9.859 3.104 -13.521 1.00 0.00 N ATOM 141 CA GLY A 251 8.806 2.191 -14.000 1.00 0.00 C ATOM 142 C GLY A 251 8.247 1.236 -12.938 1.00 0.00 C ATOM 143 O GLY A 251 7.730 0.175 -13.290 1.00 0.00 O ATOM 0 H GLY A 251 9.513 4.037 -13.297 1.00 0.00 H new ATOM 0 HA2 GLY A 251 7.985 2.785 -14.401 1.00 0.00 H new ATOM 0 HA3 GLY A 251 9.205 1.600 -14.825 1.00 0.00 H new ATOM 147 N GLN A 252 8.354 1.587 -11.653 1.00 0.00 N ATOM 148 CA GLN A 252 7.867 0.765 -10.541 1.00 0.00 C ATOM 149 C GLN A 252 6.342 0.884 -10.387 1.00 0.00 C ATOM 150 O GLN A 252 5.800 1.990 -10.323 1.00 0.00 O ATOM 151 CB GLN A 252 8.557 1.182 -9.226 1.00 0.00 C ATOM 152 CG GLN A 252 10.088 1.011 -9.207 1.00 0.00 C ATOM 153 CD GLN A 252 10.573 -0.440 -9.144 1.00 0.00 C ATOM 154 OE1 GLN A 252 9.931 -1.379 -9.599 1.00 0.00 O ATOM 155 NE2 GLN A 252 11.731 -0.688 -8.571 1.00 0.00 N ATOM 0 H GLN A 252 8.786 2.460 -11.352 1.00 0.00 H new ATOM 0 HA GLN A 252 8.110 -0.274 -10.763 1.00 0.00 H new ATOM 0 HB2 GLN A 252 8.321 2.227 -9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 252 8.132 0.598 -8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 252 10.503 1.479 -10.100 1.00 0.00 H new ATOM 0 HG3 GLN A 252 10.489 1.551 -8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 252 12.283 0.078 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 252 12.076 -1.646 -8.513 1.00 0.00 H new ATOM 164 N CYS A 253 5.655 -0.260 -10.276 1.00 0.00 N ATOM 165 CA CYS A 253 4.227 -0.340 -9.945 1.00 0.00 C ATOM 166 C CYS A 253 4.062 -0.620 -8.442 1.00 0.00 C ATOM 167 O CYS A 253 4.504 -1.664 -7.952 1.00 0.00 O ATOM 168 CB CYS A 253 3.562 -1.427 -10.809 1.00 0.00 C ATOM 169 SG CYS A 253 3.667 -0.991 -12.572 1.00 0.00 S ATOM 0 H CYS A 253 6.085 -1.174 -10.417 1.00 0.00 H new ATOM 0 HA CYS A 253 3.734 0.608 -10.162 1.00 0.00 H new ATOM 0 HB2 CYS A 253 4.049 -2.386 -10.636 1.00 0.00 H new ATOM 0 HB3 CYS A 253 2.518 -1.543 -10.518 1.00 0.00 H new ATOM 0 HG CYS A 253 3.103 -1.921 -13.283 1.00 0.00 H new ATOM 175 N LEU A 254 3.428 0.302 -7.713 1.00 0.00 N ATOM 176 CA LEU A 254 3.295 0.271 -6.252 1.00 0.00 C ATOM 177 C LEU A 254 2.029 1.022 -5.825 1.00 0.00 C ATOM 178 O LEU A 254 1.870 2.195 -6.159 1.00 0.00 O ATOM 179 CB LEU A 254 4.566 0.894 -5.634 1.00 0.00 C ATOM 180 CG LEU A 254 4.598 0.946 -4.097 1.00 0.00 C ATOM 181 CD1 LEU A 254 4.411 -0.420 -3.435 1.00 0.00 C ATOM 182 CD2 LEU A 254 5.950 1.493 -3.627 1.00 0.00 C ATOM 0 H LEU A 254 2.979 1.115 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 254 3.197 -0.755 -5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 254 5.431 0.328 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 254 4.675 1.909 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 254 3.766 1.587 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 254 4.445 -0.307 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 254 3.447 -0.837 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 254 5.208 -1.091 -3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 254 5.969 1.529 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 254 6.749 0.843 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 254 6.095 2.497 -4.025 1.00 0.00 H new ATOM 194 N VAL A 255 1.147 0.353 -5.080 1.00 0.00 N ATOM 195 CA VAL A 255 -0.162 0.875 -4.650 1.00 0.00 C ATOM 196 C VAL A 255 -0.306 0.687 -3.142 1.00 0.00 C ATOM 197 O VAL A 255 0.025 -0.370 -2.603 1.00 0.00 O ATOM 198 CB VAL A 255 -1.325 0.181 -5.403 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.707 0.692 -4.952 1.00 0.00 C ATOM 200 CG2 VAL A 255 -1.207 0.385 -6.923 1.00 0.00 C ATOM 0 H VAL A 255 1.324 -0.595 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 255 -0.212 1.937 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.244 -0.878 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.487 0.174 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.836 0.501 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.778 1.763 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -2.037 -0.114 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -1.234 1.451 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 255 -0.266 -0.037 -7.275 1.00 0.00 H new ATOM 210 N TRP A 256 -0.816 1.725 -2.479 1.00 0.00 N ATOM 211 CA TRP A 256 -1.071 1.769 -1.042 1.00 0.00 C ATOM 212 C TRP A 256 -2.541 2.132 -0.772 1.00 0.00 C ATOM 213 O TRP A 256 -3.112 2.991 -1.449 1.00 0.00 O ATOM 214 CB TRP A 256 -0.139 2.800 -0.395 1.00 0.00 C ATOM 215 CG TRP A 256 1.334 2.544 -0.462 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.147 2.847 -1.500 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.199 1.968 0.565 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.450 2.540 -1.170 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.541 1.963 0.077 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.986 1.452 1.862 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.612 1.447 0.823 1.00 0.00 C ATOM 222 CZ3 TRP A 256 3.049 0.906 2.606 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.358 0.898 2.091 1.00 0.00 C ATOM 0 H TRP A 256 -1.073 2.593 -2.949 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.877 0.787 -0.610 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.333 3.766 -0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.416 2.891 0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.825 3.265 -2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.250 2.719 -1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.994 1.477 2.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.617 1.472 0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.857 0.488 3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.165 0.471 2.668 1.00 0.00 H new ATOM 234 N VAL A 257 -3.136 1.493 0.237 1.00 0.00 N ATOM 235 CA VAL A 257 -4.576 1.574 0.563 1.00 0.00 C ATOM 236 C VAL A 257 -4.784 1.901 2.037 1.00 0.00 C ATOM 237 O VAL A 257 -4.240 1.212 2.898 1.00 0.00 O ATOM 238 CB VAL A 257 -5.318 0.252 0.246 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.781 0.219 -1.209 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.493 -1.012 0.542 1.00 0.00 C ATOM 0 H VAL A 257 -2.621 0.885 0.874 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.987 2.370 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.177 0.240 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.299 -0.720 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.458 1.053 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.917 0.301 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.080 -1.896 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.583 -1.001 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.230 -1.036 1.600 1.00 0.00 H new ATOM 250 N GLN A 258 -5.570 2.945 2.324 1.00 0.00 N ATOM 251 CA GLN A 258 -5.879 3.350 3.693 1.00 0.00 C ATOM 252 C GLN A 258 -7.131 2.638 4.223 1.00 0.00 C ATOM 253 O GLN A 258 -8.184 2.647 3.578 1.00 0.00 O ATOM 254 CB GLN A 258 -6.027 4.875 3.806 1.00 0.00 C ATOM 255 CG GLN A 258 -6.031 5.301 5.286 1.00 0.00 C ATOM 256 CD GLN A 258 -6.005 6.814 5.499 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.718 7.576 4.860 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.204 7.308 6.419 1.00 0.00 N ATOM 0 H GLN A 258 -6.008 3.530 1.612 1.00 0.00 H new ATOM 0 HA GLN A 258 -5.037 3.048 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.208 5.367 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.952 5.194 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.919 4.892 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.167 4.860 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.604 6.686 6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.184 8.313 6.591 1.00 0.00 H new ATOM 267 N CYS A 259 -7.010 2.071 5.426 1.00 0.00 N ATOM 268 CA CYS A 259 -8.087 1.440 6.184 1.00 0.00 C ATOM 269 C CYS A 259 -9.306 2.373 6.379 1.00 0.00 C ATOM 270 O CYS A 259 -9.162 3.560 6.693 1.00 0.00 O ATOM 271 CB CYS A 259 -7.484 1.004 7.524 1.00 0.00 C ATOM 272 SG CYS A 259 -8.596 -0.161 8.354 1.00 0.00 S ATOM 0 H CYS A 259 -6.117 2.039 5.918 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.479 0.584 5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.512 0.538 7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.317 1.875 8.158 1.00 0.00 H new ATOM 277 N SER A 260 -10.515 1.840 6.206 1.00 0.00 N ATOM 278 CA SER A 260 -11.782 2.575 6.346 1.00 0.00 C ATOM 279 C SER A 260 -12.077 3.041 7.783 1.00 0.00 C ATOM 280 O SER A 260 -12.814 4.016 7.967 1.00 0.00 O ATOM 281 CB SER A 260 -12.959 1.731 5.830 1.00 0.00 C ATOM 282 OG SER A 260 -13.047 0.479 6.497 1.00 0.00 O ATOM 0 H SER A 260 -10.649 0.860 5.958 1.00 0.00 H new ATOM 0 HA SER A 260 -11.666 3.474 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.889 2.282 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.844 1.564 4.759 1.00 0.00 H new ATOM 0 HG SER A 260 -13.807 -0.028 6.143 1.00 0.00 H new ATOM 288 N PHE A 261 -11.498 2.393 8.804 1.00 0.00 N ATOM 289 CA PHE A 261 -11.681 2.779 10.199 1.00 0.00 C ATOM 290 C PHE A 261 -10.811 3.990 10.584 1.00 0.00 C ATOM 291 O PHE A 261 -9.610 4.003 10.294 1.00 0.00 O ATOM 292 CB PHE A 261 -11.396 1.593 11.124 1.00 0.00 C ATOM 293 CG PHE A 261 -12.377 0.448 10.999 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.675 0.574 11.530 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.990 -0.750 10.368 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.582 -0.498 11.431 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.892 -1.823 10.280 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.189 -1.697 10.808 1.00 0.00 C ATOM 0 H PHE A 261 -10.889 1.585 8.679 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.722 3.079 10.320 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.393 1.220 10.916 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.398 1.945 12.156 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -13.975 1.492 12.013 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.998 -0.844 9.951 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.580 -0.400 11.833 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.589 -2.745 9.807 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.884 -2.521 10.735 1.00 0.00 H new ATOM 308 N PRO A 262 -11.390 4.979 11.295 1.00 0.00 N ATOM 309 CA PRO A 262 -10.694 6.185 11.736 1.00 0.00 C ATOM 310 C PRO A 262 -9.693 5.900 12.865 1.00 0.00 C ATOM 311 O PRO A 262 -8.655 6.552 12.948 1.00 0.00 O ATOM 312 CB PRO A 262 -11.813 7.113 12.207 1.00 0.00 C ATOM 313 CG PRO A 262 -12.906 6.170 12.706 1.00 0.00 C ATOM 314 CD PRO A 262 -12.770 4.983 11.762 1.00 0.00 C ATOM 0 HA PRO A 262 -10.094 6.620 10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.470 7.778 13.000 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.174 7.744 11.395 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.751 5.882 13.746 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.894 6.626 12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.008 4.051 12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.462 5.072 10.925 1.00 0.00 H new ATOM 322 N ASN A 263 -9.976 4.889 13.694 1.00 0.00 N ATOM 323 CA ASN A 263 -9.073 4.380 14.734 1.00 0.00 C ATOM 324 C ASN A 263 -7.890 3.550 14.180 1.00 0.00 C ATOM 325 O ASN A 263 -6.974 3.203 14.932 1.00 0.00 O ATOM 326 CB ASN A 263 -9.899 3.599 15.771 1.00 0.00 C ATOM 327 CG ASN A 263 -10.622 2.390 15.177 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.012 1.429 14.728 1.00 0.00 O ATOM 329 ND2 ASN A 263 -11.944 2.410 15.139 1.00 0.00 N ATOM 0 H ASN A 263 -10.864 4.388 13.660 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.598 5.235 15.215 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.241 3.263 16.572 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.633 4.268 16.221 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.455 1.625 14.736 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.453 3.211 15.513 1.00 0.00 H new ATOM 336 N CYS A 264 -7.891 3.269 12.869 1.00 0.00 N ATOM 337 CA CYS A 264 -6.812 2.618 12.131 1.00 0.00 C ATOM 338 C CYS A 264 -6.052 3.674 11.315 1.00 0.00 C ATOM 339 O CYS A 264 -4.977 4.124 11.722 1.00 0.00 O ATOM 340 CB CYS A 264 -7.413 1.506 11.254 1.00 0.00 C ATOM 341 SG CYS A 264 -6.405 0.004 11.263 1.00 0.00 S ATOM 0 H CYS A 264 -8.684 3.503 12.271 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.093 2.153 12.806 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.416 1.270 11.608 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.513 1.868 10.231 1.00 0.00 H new ATOM 346 N GLY A 265 -6.615 4.061 10.161 1.00 0.00 N ATOM 347 CA GLY A 265 -6.001 4.973 9.202 1.00 0.00 C ATOM 348 C GLY A 265 -4.706 4.430 8.588 1.00 0.00 C ATOM 349 O GLY A 265 -3.932 5.195 8.014 1.00 0.00 O ATOM 0 H GLY A 265 -7.536 3.736 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.713 5.182 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.790 5.921 9.697 1.00 0.00 H new ATOM 353 N LYS A 266 -4.459 3.124 8.721 1.00 0.00 N ATOM 354 CA LYS A 266 -3.220 2.452 8.322 1.00 0.00 C ATOM 355 C LYS A 266 -3.124 2.275 6.802 1.00 0.00 C ATOM 356 O LYS A 266 -4.138 2.005 6.157 1.00 0.00 O ATOM 357 CB LYS A 266 -3.149 1.090 9.027 1.00 0.00 C ATOM 358 CG LYS A 266 -2.987 1.240 10.538 1.00 0.00 C ATOM 359 CD LYS A 266 -2.770 -0.143 11.154 1.00 0.00 C ATOM 360 CE LYS A 266 -2.643 -0.052 12.666 1.00 0.00 C ATOM 361 NZ LYS A 266 -3.926 0.357 13.299 1.00 0.00 N ATOM 0 H LYS A 266 -5.142 2.482 9.124 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.376 3.075 8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.055 0.523 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.312 0.517 8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.141 1.890 10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.873 1.709 10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.603 -0.796 10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.870 -0.594 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.331 -1.018 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.864 0.666 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.103 -0.233 14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.870 1.356 13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.703 0.235 12.619 1.00 0.00 H new ATOM 375 N TRP A 267 -1.918 2.381 6.229 1.00 0.00 N ATOM 376 CA TRP A 267 -1.695 2.252 4.789 1.00 0.00 C ATOM 377 C TRP A 267 -0.996 0.930 4.476 1.00 0.00 C ATOM 378 O TRP A 267 0.223 0.818 4.573 1.00 0.00 O ATOM 379 CB TRP A 267 -0.882 3.440 4.271 1.00 0.00 C ATOM 380 CG TRP A 267 -1.580 4.762 4.289 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.641 5.608 5.340 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.306 5.417 3.205 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.310 6.758 4.969 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.729 6.704 3.656 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.644 5.055 1.883 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.417 7.601 2.824 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.340 5.945 1.044 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.706 7.222 1.501 1.00 0.00 C ATOM 0 H TRP A 267 -1.065 2.560 6.759 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.659 2.253 4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.027 3.522 4.867 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.574 3.227 3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.230 5.415 6.320 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.474 7.550 5.590 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.364 4.081 1.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.720 8.569 3.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.595 5.643 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.208 7.911 0.838 1.00 0.00 H new ATOM 399 N ARG A 268 -1.775 -0.070 4.063 1.00 0.00 N ATOM 400 CA ARG A 268 -1.232 -1.369 3.654 1.00 0.00 C ATOM 401 C ARG A 268 -0.785 -1.323 2.189 1.00 0.00 C ATOM 402 O ARG A 268 -1.316 -0.538 1.391 1.00 0.00 O ATOM 403 CB ARG A 268 -2.227 -2.507 3.916 1.00 0.00 C ATOM 404 CG ARG A 268 -2.865 -2.513 5.316 1.00 0.00 C ATOM 405 CD ARG A 268 -1.890 -2.496 6.491 1.00 0.00 C ATOM 406 NE ARG A 268 -2.643 -2.673 7.739 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.145 -2.830 8.952 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.872 -2.650 9.224 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.960 -3.161 9.917 1.00 0.00 N ATOM 0 H ARG A 268 -2.791 -0.006 4.002 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.354 -1.579 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -3.022 -2.451 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.715 -3.457 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.520 -1.646 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.495 -3.398 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.153 -3.291 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.342 -1.554 6.512 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.660 -2.675 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.226 -2.378 8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.530 -2.782 10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.953 -3.291 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.604 -3.289 10.864 1.00 0.00 H new ATOM 423 N ARG A 269 0.206 -2.155 1.862 1.00 0.00 N ATOM 424 CA ARG A 269 0.901 -2.204 0.571 1.00 0.00 C ATOM 425 C ARG A 269 0.383 -3.378 -0.274 1.00 0.00 C ATOM 426 O ARG A 269 0.272 -4.496 0.234 1.00 0.00 O ATOM 427 CB ARG A 269 2.409 -2.345 0.854 1.00 0.00 C ATOM 428 CG ARG A 269 3.265 -1.809 -0.298 1.00 0.00 C ATOM 429 CD ARG A 269 4.763 -2.074 -0.080 1.00 0.00 C ATOM 430 NE ARG A 269 5.120 -3.461 -0.438 1.00 0.00 N ATOM 431 CZ ARG A 269 5.376 -4.477 0.380 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.371 -4.351 1.691 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.643 -5.660 -0.128 1.00 0.00 N ATOM 0 H ARG A 269 0.564 -2.847 2.521 1.00 0.00 H new ATOM 0 HA ARG A 269 0.715 -1.293 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.657 -1.808 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.649 -3.394 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.948 -2.274 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.099 -0.737 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.349 -1.379 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.019 -1.888 0.963 1.00 0.00 H new ATOM 0 HE ARG A 269 5.177 -3.665 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.165 -3.447 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 269 5.573 -5.158 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.652 -5.790 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 269 5.841 -6.447 0.490 1.00 0.00 H new ATOM 447 N LEU A 270 0.065 -3.131 -1.548 1.00 0.00 N ATOM 448 CA LEU A 270 -0.529 -4.111 -2.472 1.00 0.00 C ATOM 449 C LEU A 270 0.431 -4.519 -3.599 1.00 0.00 C ATOM 450 O LEU A 270 1.435 -3.852 -3.861 1.00 0.00 O ATOM 451 CB LEU A 270 -1.828 -3.541 -3.073 1.00 0.00 C ATOM 452 CG LEU A 270 -2.915 -3.141 -2.061 1.00 0.00 C ATOM 453 CD1 LEU A 270 -4.142 -2.675 -2.847 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.333 -4.277 -1.118 1.00 0.00 C ATOM 0 H LEU A 270 0.216 -2.220 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.745 -5.009 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.576 -2.666 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.247 -4.282 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.499 -2.354 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.930 -2.385 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.873 -1.821 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.498 -3.487 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.102 -3.918 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.726 -5.109 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.468 -4.612 -0.546 1.00 0.00 H new ATOM 466 N CYS A 271 0.081 -5.608 -4.289 1.00 0.00 N ATOM 467 CA CYS A 271 0.790 -6.118 -5.467 1.00 0.00 C ATOM 468 C CYS A 271 0.751 -5.115 -6.639 1.00 0.00 C ATOM 469 O CYS A 271 -0.280 -4.488 -6.898 1.00 0.00 O ATOM 470 CB CYS A 271 0.145 -7.463 -5.847 1.00 0.00 C ATOM 471 SG CYS A 271 1.104 -8.280 -7.156 1.00 0.00 S ATOM 0 H CYS A 271 -0.727 -6.176 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 271 1.846 -6.259 -5.236 1.00 0.00 H new ATOM 0 HB2 CYS A 271 0.092 -8.108 -4.970 1.00 0.00 H new ATOM 0 HB3 CYS A 271 -0.878 -7.300 -6.185 1.00 0.00 H new ATOM 0 HG CYS A 271 0.545 -9.413 -7.461 1.00 0.00 H new ATOM 477 N GLY A 272 1.845 -5.020 -7.404 1.00 0.00 N ATOM 478 CA GLY A 272 1.966 -4.142 -8.581 1.00 0.00 C ATOM 479 C GLY A 272 1.055 -4.522 -9.760 1.00 0.00 C ATOM 480 O GLY A 272 0.919 -3.740 -10.699 1.00 0.00 O ATOM 0 H GLY A 272 2.690 -5.561 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 272 1.740 -3.119 -8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 272 3.002 -4.153 -8.921 1.00 0.00 H new ATOM 484 N ASN A 273 0.400 -5.689 -9.699 1.00 0.00 N ATOM 485 CA ASN A 273 -0.627 -6.132 -10.653 1.00 0.00 C ATOM 486 C ASN A 273 -2.047 -5.609 -10.320 1.00 0.00 C ATOM 487 O ASN A 273 -2.993 -5.876 -11.066 1.00 0.00 O ATOM 488 CB ASN A 273 -0.608 -7.669 -10.718 1.00 0.00 C ATOM 489 CG ASN A 273 0.703 -8.214 -11.279 1.00 0.00 C ATOM 490 OD1 ASN A 273 1.065 -7.964 -12.424 1.00 0.00 O ATOM 491 ND2 ASN A 273 1.452 -8.976 -10.500 1.00 0.00 N ATOM 0 H ASN A 273 0.575 -6.372 -8.962 1.00 0.00 H new ATOM 0 HA ASN A 273 -0.384 -5.705 -11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 273 -0.768 -8.074 -9.719 1.00 0.00 H new ATOM 0 HB3 ASN A 273 -1.436 -8.014 -11.338 1.00 0.00 H new ATOM 0 HD21 ASN A 273 2.331 -9.356 -10.851 1.00 0.00 H new ATOM 0 HD22 ASN A 273 1.151 -9.184 -9.548 1.00 0.00 H new ATOM 498 N ILE A 274 -2.219 -4.874 -9.213 1.00 0.00 N ATOM 499 CA ILE A 274 -3.502 -4.319 -8.730 1.00 0.00 C ATOM 500 C ILE A 274 -3.533 -2.800 -8.983 1.00 0.00 C ATOM 501 O ILE A 274 -2.485 -2.154 -9.038 1.00 0.00 O ATOM 502 CB ILE A 274 -3.707 -4.699 -7.237 1.00 0.00 C ATOM 503 CG1 ILE A 274 -3.680 -6.240 -7.073 1.00 0.00 C ATOM 504 CG2 ILE A 274 -5.022 -4.129 -6.672 1.00 0.00 C ATOM 505 CD1 ILE A 274 -3.736 -6.738 -5.626 1.00 0.00 C ATOM 0 H ILE A 274 -1.439 -4.637 -8.600 1.00 0.00 H new ATOM 0 HA ILE A 274 -4.340 -4.748 -9.280 1.00 0.00 H new ATOM 0 HB ILE A 274 -2.888 -4.257 -6.669 1.00 0.00 H new ATOM 0 HG12 ILE A 274 -4.523 -6.663 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 274 -2.772 -6.624 -7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 274 -5.125 -4.419 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 274 -5.009 -3.042 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 274 -5.864 -4.523 -7.242 1.00 0.00 H new ATOM 0 HD11 ILE A 274 -3.712 -7.828 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 274 -2.879 -6.351 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 274 -4.657 -6.391 -5.157 1.00 0.00 H new ATOM 517 N ASP A 275 -4.728 -2.224 -9.147 1.00 0.00 N ATOM 518 CA ASP A 275 -4.946 -0.804 -9.449 1.00 0.00 C ATOM 519 C ASP A 275 -6.034 -0.203 -8.532 1.00 0.00 C ATOM 520 O ASP A 275 -7.086 -0.828 -8.354 1.00 0.00 O ATOM 521 CB ASP A 275 -5.346 -0.677 -10.928 1.00 0.00 C ATOM 522 CG ASP A 275 -5.328 0.777 -11.416 1.00 0.00 C ATOM 523 OD1 ASP A 275 -6.240 1.538 -11.019 1.00 0.00 O ATOM 524 OD2 ASP A 275 -4.404 1.150 -12.176 1.00 0.00 O ATOM 0 H ASP A 275 -5.599 -2.749 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 275 -4.028 -0.246 -9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 275 -4.665 -1.271 -11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 275 -6.344 -1.092 -11.069 1.00 0.00 H new ATOM 529 N PRO A 276 -5.838 1.004 -7.966 1.00 0.00 N ATOM 530 CA PRO A 276 -6.803 1.613 -7.055 1.00 0.00 C ATOM 531 C PRO A 276 -8.141 1.990 -7.714 1.00 0.00 C ATOM 532 O PRO A 276 -9.116 2.216 -7.002 1.00 0.00 O ATOM 533 CB PRO A 276 -6.082 2.812 -6.437 1.00 0.00 C ATOM 534 CG PRO A 276 -5.052 3.200 -7.491 1.00 0.00 C ATOM 535 CD PRO A 276 -4.664 1.856 -8.099 1.00 0.00 C ATOM 0 HA PRO A 276 -7.111 0.895 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.771 3.631 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.607 2.550 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.472 3.875 -8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.194 3.707 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.379 1.968 -9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.808 1.425 -7.580 1.00 0.00 H new ATOM 543 N SER A 277 -8.240 1.983 -9.048 1.00 0.00 N ATOM 544 CA SER A 277 -9.510 2.154 -9.770 1.00 0.00 C ATOM 545 C SER A 277 -10.422 0.905 -9.696 1.00 0.00 C ATOM 546 O SER A 277 -11.618 1.006 -9.982 1.00 0.00 O ATOM 547 CB SER A 277 -9.210 2.540 -11.231 1.00 0.00 C ATOM 548 OG SER A 277 -10.336 3.087 -11.908 1.00 0.00 O ATOM 0 H SER A 277 -7.436 1.858 -9.663 1.00 0.00 H new ATOM 0 HA SER A 277 -10.068 2.954 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.396 3.265 -11.249 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.863 1.658 -11.769 1.00 0.00 H new ATOM 0 HG SER A 277 -11.160 2.755 -11.493 1.00 0.00 H new ATOM 554 N VAL A 278 -9.900 -0.257 -9.260 1.00 0.00 N ATOM 555 CA VAL A 278 -10.670 -1.515 -9.086 1.00 0.00 C ATOM 556 C VAL A 278 -10.772 -1.967 -7.615 1.00 0.00 C ATOM 557 O VAL A 278 -10.988 -3.148 -7.340 1.00 0.00 O ATOM 558 CB VAL A 278 -10.189 -2.653 -10.027 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.303 -2.243 -11.505 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.760 -3.147 -9.746 1.00 0.00 C ATOM 0 H VAL A 278 -8.915 -0.355 -9.013 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.688 -1.276 -9.394 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.859 -3.486 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.959 -3.061 -12.137 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.343 -2.016 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.689 -1.361 -11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.505 -3.941 -10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.060 -2.320 -9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.701 -3.531 -8.727 1.00 0.00 H new ATOM 570 N LEU A 279 -10.634 -1.033 -6.659 1.00 0.00 N ATOM 571 CA LEU A 279 -10.727 -1.296 -5.213 1.00 0.00 C ATOM 572 C LEU A 279 -11.940 -0.596 -4.553 1.00 0.00 C ATOM 573 O LEU A 279 -12.397 0.438 -5.056 1.00 0.00 O ATOM 574 CB LEU A 279 -9.395 -0.918 -4.534 1.00 0.00 C ATOM 575 CG LEU A 279 -8.225 -1.848 -4.918 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.920 -1.307 -4.330 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.444 -3.274 -4.379 1.00 0.00 C ATOM 0 H LEU A 279 -10.451 -0.053 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.902 -2.363 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.138 0.107 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.528 -0.941 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.172 -1.882 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.097 -1.967 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.731 -0.308 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.002 -1.260 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.603 -3.905 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.521 -3.244 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.364 -3.684 -4.797 1.00 0.00 H new ATOM 589 N PRO A 280 -12.478 -1.169 -3.455 1.00 0.00 N ATOM 590 CA PRO A 280 -13.736 -0.757 -2.835 1.00 0.00 C ATOM 591 C PRO A 280 -13.595 0.525 -2.008 1.00 0.00 C ATOM 592 O PRO A 280 -12.543 0.802 -1.434 1.00 0.00 O ATOM 593 CB PRO A 280 -14.161 -1.942 -1.957 1.00 0.00 C ATOM 594 CG PRO A 280 -12.848 -2.628 -1.594 1.00 0.00 C ATOM 595 CD PRO A 280 -11.975 -2.376 -2.811 1.00 0.00 C ATOM 0 HA PRO A 280 -14.481 -0.517 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.695 -1.607 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.828 -2.617 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.410 -2.205 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.987 -3.694 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.933 -2.251 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.014 -3.223 -3.496 1.00 0.00 H new ATOM 603 N ASP A 281 -14.691 1.284 -1.899 1.00 0.00 N ATOM 604 CA ASP A 281 -14.779 2.515 -1.097 1.00 0.00 C ATOM 605 C ASP A 281 -14.781 2.262 0.426 1.00 0.00 C ATOM 606 O ASP A 281 -14.601 3.192 1.211 1.00 0.00 O ATOM 607 CB ASP A 281 -16.038 3.299 -1.502 1.00 0.00 C ATOM 608 CG ASP A 281 -15.973 3.811 -2.950 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.277 4.826 -3.194 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.634 3.213 -3.832 1.00 0.00 O ATOM 0 H ASP A 281 -15.563 1.056 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.880 3.095 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.913 2.660 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.168 4.145 -0.827 1.00 0.00 H new ATOM 615 N ASN A 282 -14.932 1.001 0.840 1.00 0.00 N ATOM 616 CA ASN A 282 -14.956 0.538 2.233 1.00 0.00 C ATOM 617 C ASN A 282 -13.822 -0.475 2.512 1.00 0.00 C ATOM 618 O ASN A 282 -13.946 -1.341 3.381 1.00 0.00 O ATOM 619 CB ASN A 282 -16.353 -0.030 2.549 1.00 0.00 C ATOM 620 CG ASN A 282 -17.459 1.009 2.397 1.00 0.00 C ATOM 621 OD1 ASN A 282 -18.106 1.118 1.361 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.721 1.794 3.427 1.00 0.00 N ATOM 0 H ASN A 282 -15.047 0.233 0.178 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.770 1.379 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.557 -0.871 1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.361 -0.417 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -18.462 2.492 3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.182 1.702 4.288 1.00 0.00 H new ATOM 629 N TRP A 283 -12.717 -0.383 1.760 1.00 0.00 N ATOM 630 CA TRP A 283 -11.495 -1.161 1.984 1.00 0.00 C ATOM 631 C TRP A 283 -10.968 -1.011 3.426 1.00 0.00 C ATOM 632 O TRP A 283 -10.939 0.087 3.975 1.00 0.00 O ATOM 633 CB TRP A 283 -10.429 -0.736 0.964 1.00 0.00 C ATOM 634 CG TRP A 283 -9.256 -1.656 0.944 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.089 -2.707 0.111 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.133 -1.687 1.873 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.960 -3.413 0.487 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.355 -2.846 1.590 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.730 -0.883 2.964 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.253 -3.201 2.375 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.630 -1.236 3.760 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.909 -2.401 3.473 1.00 0.00 C ATOM 0 H TRP A 283 -12.648 0.249 0.962 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.731 -2.216 1.847 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.876 -0.701 -0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.090 0.274 1.197 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.735 -2.957 -0.718 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.618 -4.247 0.009 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.279 0.019 3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.674 -4.081 2.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.340 -0.611 4.592 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.080 -2.686 4.104 1.00 0.00 H new ATOM 653 N SER A 284 -10.509 -2.102 4.029 1.00 0.00 N ATOM 654 CA SER A 284 -9.962 -2.167 5.394 1.00 0.00 C ATOM 655 C SER A 284 -8.804 -3.172 5.458 1.00 0.00 C ATOM 656 O SER A 284 -8.616 -3.945 4.518 1.00 0.00 O ATOM 657 CB SER A 284 -11.065 -2.567 6.387 1.00 0.00 C ATOM 658 OG SER A 284 -11.594 -3.861 6.103 1.00 0.00 O ATOM 0 H SER A 284 -10.505 -3.010 3.565 1.00 0.00 H new ATOM 0 HA SER A 284 -9.583 -1.181 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.663 -2.554 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.868 -1.831 6.353 1.00 0.00 H new ATOM 0 HG SER A 284 -12.291 -4.080 6.756 1.00 0.00 H new ATOM 664 N CYS A 285 -8.050 -3.205 6.566 1.00 0.00 N ATOM 665 CA CYS A 285 -6.945 -4.157 6.753 1.00 0.00 C ATOM 666 C CYS A 285 -7.360 -5.627 6.473 1.00 0.00 C ATOM 667 O CYS A 285 -6.562 -6.415 5.970 1.00 0.00 O ATOM 668 CB CYS A 285 -6.385 -4.063 8.185 1.00 0.00 C ATOM 669 SG CYS A 285 -5.759 -2.420 8.626 1.00 0.00 S ATOM 0 H CYS A 285 -8.188 -2.575 7.356 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.181 -3.879 6.027 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.168 -4.343 8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.580 -4.789 8.298 1.00 0.00 H new ATOM 674 N ASP A 286 -8.619 -5.991 6.751 1.00 0.00 N ATOM 675 CA ASP A 286 -9.203 -7.318 6.485 1.00 0.00 C ATOM 676 C ASP A 286 -9.295 -7.670 4.981 1.00 0.00 C ATOM 677 O ASP A 286 -9.471 -8.835 4.619 1.00 0.00 O ATOM 678 CB ASP A 286 -10.587 -7.369 7.153 1.00 0.00 C ATOM 679 CG ASP A 286 -11.231 -8.766 7.103 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.722 -9.688 7.784 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.269 -8.925 6.417 1.00 0.00 O ATOM 0 H ASP A 286 -9.284 -5.349 7.182 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.539 -8.072 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.494 -7.056 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.247 -6.654 6.663 1.00 0.00 H new ATOM 686 N GLN A 287 -9.141 -6.676 4.101 1.00 0.00 N ATOM 687 CA GLN A 287 -9.201 -6.780 2.641 1.00 0.00 C ATOM 688 C GLN A 287 -7.796 -6.690 1.996 1.00 0.00 C ATOM 689 O GLN A 287 -7.673 -6.522 0.781 1.00 0.00 O ATOM 690 CB GLN A 287 -10.175 -5.699 2.126 1.00 0.00 C ATOM 691 CG GLN A 287 -11.627 -5.991 2.550 1.00 0.00 C ATOM 692 CD GLN A 287 -12.550 -4.787 2.373 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.027 -4.484 1.288 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.830 -4.046 3.426 1.00 0.00 N ATOM 0 H GLN A 287 -8.960 -5.720 4.408 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.576 -7.761 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.873 -4.725 2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.117 -5.645 1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.011 -6.826 1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.640 -6.302 3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.440 -4.286 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.437 -3.232 3.330 1.00 0.00 H new ATOM 703 N ASN A 288 -6.727 -6.816 2.793 1.00 0.00 N ATOM 704 CA ASN A 288 -5.337 -6.822 2.323 1.00 0.00 C ATOM 705 C ASN A 288 -4.933 -8.128 1.615 1.00 0.00 C ATOM 706 O ASN A 288 -5.475 -9.203 1.896 1.00 0.00 O ATOM 707 CB ASN A 288 -4.397 -6.536 3.508 1.00 0.00 C ATOM 708 CG ASN A 288 -3.020 -6.073 3.048 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.895 -5.235 2.168 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.949 -6.631 3.577 1.00 0.00 N ATOM 0 H ASN A 288 -6.807 -6.919 3.805 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.249 -6.037 1.572 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.841 -5.772 4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.293 -7.437 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.020 -6.363 3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.049 -7.331 4.312 1.00 0.00 H new ATOM 717 N THR A 289 -3.931 -8.035 0.730 1.00 0.00 N ATOM 718 CA THR A 289 -3.375 -9.158 -0.049 1.00 0.00 C ATOM 719 C THR A 289 -2.206 -9.858 0.639 1.00 0.00 C ATOM 720 O THR A 289 -1.800 -10.933 0.202 1.00 0.00 O ATOM 721 CB THR A 289 -2.967 -8.680 -1.445 1.00 0.00 C ATOM 722 OG1 THR A 289 -2.097 -7.571 -1.348 1.00 0.00 O ATOM 723 CG2 THR A 289 -4.200 -8.248 -2.235 1.00 0.00 C ATOM 0 H THR A 289 -3.468 -7.149 0.528 1.00 0.00 H new ATOM 0 HA THR A 289 -4.168 -9.902 -0.130 1.00 0.00 H new ATOM 0 HB THR A 289 -2.466 -9.506 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.842 -7.276 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.897 -7.910 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.884 -9.091 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.701 -7.434 -1.711 1.00 0.00 H new ATOM 731 N ASP A 290 -1.685 -9.275 1.719 1.00 0.00 N ATOM 732 CA ASP A 290 -0.534 -9.771 2.474 1.00 0.00 C ATOM 733 C ASP A 290 -0.932 -10.139 3.914 1.00 0.00 C ATOM 734 O ASP A 290 -1.325 -9.277 4.703 1.00 0.00 O ATOM 735 CB ASP A 290 0.594 -8.718 2.447 1.00 0.00 C ATOM 736 CG ASP A 290 1.923 -9.305 1.937 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.290 -10.419 2.376 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.589 -8.651 1.100 1.00 0.00 O ATOM 0 H ASP A 290 -2.067 -8.412 2.106 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.167 -10.684 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.297 -7.886 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.737 -8.315 3.450 1.00 0.00 H new ATOM 743 N VAL A 291 -0.810 -11.424 4.260 1.00 0.00 N ATOM 744 CA VAL A 291 -1.259 -12.001 5.551 1.00 0.00 C ATOM 745 C VAL A 291 -0.480 -11.476 6.764 1.00 0.00 C ATOM 746 O VAL A 291 -0.938 -11.581 7.901 1.00 0.00 O ATOM 747 CB VAL A 291 -1.202 -13.547 5.559 1.00 0.00 C ATOM 748 CG1 VAL A 291 -2.100 -14.128 4.456 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.234 -14.084 5.403 1.00 0.00 C ATOM 0 H VAL A 291 -0.387 -12.117 3.642 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.295 -11.673 5.642 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.569 -13.869 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -2.046 -15.216 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.130 -13.812 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.762 -13.768 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.218 -15.174 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.651 -13.737 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.850 -13.721 6.226 1.00 0.00 H new ATOM 759 N GLN A 292 0.691 -10.889 6.512 1.00 0.00 N ATOM 760 CA GLN A 292 1.542 -10.242 7.508 1.00 0.00 C ATOM 761 C GLN A 292 0.954 -8.928 8.043 1.00 0.00 C ATOM 762 O GLN A 292 1.366 -8.482 9.112 1.00 0.00 O ATOM 763 CB GLN A 292 2.965 -10.057 6.946 1.00 0.00 C ATOM 764 CG GLN A 292 3.044 -9.734 5.445 1.00 0.00 C ATOM 765 CD GLN A 292 4.428 -9.257 4.995 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.613 -8.138 4.530 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.457 -10.075 5.109 1.00 0.00 N ATOM 0 H GLN A 292 1.086 -10.851 5.573 1.00 0.00 H new ATOM 0 HA GLN A 292 1.594 -10.903 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.454 -9.255 7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.533 -10.968 7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.772 -10.623 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.309 -8.965 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.325 -11.010 5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.385 -9.772 4.813 1.00 0.00 H new ATOM 776 N TYR A 293 -0.032 -8.342 7.350 1.00 0.00 N ATOM 777 CA TYR A 293 -0.699 -7.086 7.740 1.00 0.00 C ATOM 778 C TYR A 293 -2.211 -7.079 7.424 1.00 0.00 C ATOM 779 O TYR A 293 -2.814 -6.023 7.229 1.00 0.00 O ATOM 780 CB TYR A 293 0.038 -5.882 7.125 1.00 0.00 C ATOM 781 CG TYR A 293 1.483 -5.715 7.557 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.524 -6.354 6.858 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.784 -4.933 8.687 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.852 -6.247 7.310 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.111 -4.799 9.132 1.00 0.00 C ATOM 786 CZ TYR A 293 4.151 -5.474 8.456 1.00 0.00 C ATOM 787 OH TYR A 293 5.432 -5.397 8.911 1.00 0.00 O ATOM 0 H TYR A 293 -0.398 -8.735 6.483 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.639 -7.004 8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.009 -5.976 6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.508 -4.974 7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.303 -6.929 5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.988 -4.431 9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.644 -6.756 6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.334 -4.181 9.989 1.00 0.00 H new ATOM 0 HH TYR A 293 5.463 -4.825 9.706 1.00 0.00 H new ATOM 797 N ASN A 294 -2.845 -8.258 7.378 1.00 0.00 N ATOM 798 CA ASN A 294 -4.256 -8.431 6.992 1.00 0.00 C ATOM 799 C ASN A 294 -5.274 -8.237 8.143 1.00 0.00 C ATOM 800 O ASN A 294 -6.405 -8.724 8.067 1.00 0.00 O ATOM 801 CB ASN A 294 -4.445 -9.765 6.251 1.00 0.00 C ATOM 802 CG ASN A 294 -4.451 -10.998 7.158 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.029 -10.971 8.309 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.942 -12.121 6.662 1.00 0.00 N ATOM 0 H ASN A 294 -2.384 -9.137 7.612 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.488 -7.615 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.385 -9.730 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.648 -9.874 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.969 -12.963 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.293 -12.145 5.705 1.00 0.00 H new ATOM 811 N ARG A 295 -4.869 -7.556 9.224 1.00 0.00 N ATOM 812 CA ARG A 295 -5.679 -7.295 10.418 1.00 0.00 C ATOM 813 C ARG A 295 -5.424 -5.905 10.991 1.00 0.00 C ATOM 814 O ARG A 295 -4.281 -5.480 11.142 1.00 0.00 O ATOM 815 CB ARG A 295 -5.352 -8.331 11.502 1.00 0.00 C ATOM 816 CG ARG A 295 -6.252 -9.566 11.429 1.00 0.00 C ATOM 817 CD ARG A 295 -5.794 -10.578 12.483 1.00 0.00 C ATOM 818 NE ARG A 295 -6.721 -11.719 12.574 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.609 -12.759 13.395 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.610 -12.874 14.248 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.516 -13.711 13.369 1.00 0.00 N ATOM 0 H ARG A 295 -3.932 -7.158 9.291 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.725 -7.361 10.118 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.311 -8.639 11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.455 -7.869 12.484 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.291 -9.286 11.602 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.203 -10.010 10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.796 -10.938 12.234 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.723 -10.087 13.454 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.526 -11.711 11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.892 -12.151 14.293 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.556 -13.686 14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.301 -13.650 12.721 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.434 -14.511 13.997 1.00 0.00 H new ATOM 835 N CYS A 296 -6.501 -5.262 11.429 1.00 0.00 N ATOM 836 CA CYS A 296 -6.516 -3.970 12.112 1.00 0.00 C ATOM 837 C CYS A 296 -5.772 -3.929 13.465 1.00 0.00 C ATOM 838 O CYS A 296 -5.445 -2.851 13.966 1.00 0.00 O ATOM 839 CB CYS A 296 -7.992 -3.627 12.309 1.00 0.00 C ATOM 840 SG CYS A 296 -8.640 -2.837 10.815 1.00 0.00 S ATOM 0 H CYS A 296 -7.438 -5.647 11.312 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.976 -3.248 11.499 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.559 -4.531 12.529 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.110 -2.961 13.164 1.00 0.00 H new ATOM 845 N ASP A 297 -5.481 -5.095 14.040 1.00 0.00 N ATOM 846 CA ASP A 297 -4.771 -5.250 15.310 1.00 0.00 C ATOM 847 C ASP A 297 -3.254 -5.388 15.087 1.00 0.00 C ATOM 848 O ASP A 297 -2.480 -5.507 16.037 1.00 0.00 O ATOM 849 CB ASP A 297 -5.397 -6.444 16.037 1.00 0.00 C ATOM 850 CG ASP A 297 -4.927 -6.586 17.496 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.159 -5.649 18.298 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.366 -7.651 17.847 1.00 0.00 O ATOM 0 H ASP A 297 -5.741 -5.988 13.621 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.877 -4.363 15.935 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.482 -6.342 16.021 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.155 -7.358 15.494 1.00 0.00 H new ATOM 857 N ILE A 298 -2.823 -5.341 13.818 1.00 0.00 N ATOM 858 CA ILE A 298 -1.420 -5.370 13.405 1.00 0.00 C ATOM 859 C ILE A 298 -0.952 -3.930 13.148 1.00 0.00 C ATOM 860 O ILE A 298 -1.638 -3.194 12.426 1.00 0.00 O ATOM 861 CB ILE A 298 -1.205 -6.265 12.163 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.770 -7.672 12.443 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.290 -6.334 11.823 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.581 -8.682 11.304 1.00 0.00 C ATOM 0 H ILE A 298 -3.466 -5.280 13.028 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.822 -5.809 14.204 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.730 -5.841 11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.295 -8.066 13.341 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.835 -7.584 12.658 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.435 -6.966 10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.662 -5.331 11.613 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.836 -6.754 12.668 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.010 -9.641 11.593 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.081 -8.317 10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.517 -8.807 11.101 1.00 0.00 H new ATOM 876 N PRO A 299 0.211 -3.532 13.690 1.00 0.00 N ATOM 877 CA PRO A 299 0.777 -2.201 13.517 1.00 0.00 C ATOM 878 C PRO A 299 1.147 -1.917 12.059 1.00 0.00 C ATOM 879 O PRO A 299 1.278 -2.830 11.245 1.00 0.00 O ATOM 880 CB PRO A 299 2.004 -2.173 14.431 1.00 0.00 C ATOM 881 CG PRO A 299 2.433 -3.633 14.543 1.00 0.00 C ATOM 882 CD PRO A 299 1.104 -4.375 14.474 1.00 0.00 C ATOM 0 HA PRO A 299 0.059 -1.423 13.776 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.799 -1.557 14.009 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.761 -1.755 15.408 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.102 -3.923 13.732 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.960 -3.830 15.477 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.227 -5.352 14.007 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.701 -4.547 15.472 1.00 0.00 H new ATOM 890 N GLU A 300 1.307 -0.637 11.718 1.00 0.00 N ATOM 891 CA GLU A 300 1.698 -0.206 10.380 1.00 0.00 C ATOM 892 C GLU A 300 3.172 -0.562 10.065 1.00 0.00 C ATOM 893 O GLU A 300 4.038 -0.566 10.946 1.00 0.00 O ATOM 894 CB GLU A 300 1.393 1.296 10.240 1.00 0.00 C ATOM 895 CG GLU A 300 0.651 1.652 8.956 1.00 0.00 C ATOM 896 CD GLU A 300 1.416 1.291 7.682 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.346 0.103 7.286 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.064 2.189 7.101 1.00 0.00 O ATOM 0 H GLU A 300 1.167 0.134 12.371 1.00 0.00 H new ATOM 0 HA GLU A 300 1.116 -0.746 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.798 1.618 11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.329 1.853 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 300 -0.311 1.139 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.442 2.722 8.953 1.00 0.00 H new ATOM 905 N GLU A 301 3.448 -0.881 8.800 1.00 0.00 N ATOM 906 CA GLU A 301 4.748 -1.302 8.268 1.00 0.00 C ATOM 907 C GLU A 301 5.764 -0.145 8.277 1.00 0.00 C ATOM 908 O GLU A 301 5.408 1.029 8.118 1.00 0.00 O ATOM 909 CB GLU A 301 4.518 -1.876 6.856 1.00 0.00 C ATOM 910 CG GLU A 301 5.602 -2.809 6.296 1.00 0.00 C ATOM 911 CD GLU A 301 6.830 -2.100 5.709 1.00 0.00 C ATOM 912 OE1 GLU A 301 6.682 -1.353 4.715 1.00 0.00 O ATOM 913 OE2 GLU A 301 7.952 -2.348 6.207 1.00 0.00 O ATOM 0 H GLU A 301 2.730 -0.851 8.076 1.00 0.00 H new ATOM 0 HA GLU A 301 5.184 -2.074 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 301 3.573 -2.420 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 301 4.401 -1.040 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 301 5.933 -3.476 7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 301 5.157 -3.434 5.521 1.00 0.00 H new ATOM 920 N THR A 302 7.044 -0.483 8.473 1.00 0.00 N ATOM 921 CA THR A 302 8.159 0.471 8.607 1.00 0.00 C ATOM 922 C THR A 302 8.649 0.913 7.226 1.00 0.00 C ATOM 923 O THR A 302 9.755 0.586 6.794 1.00 0.00 O ATOM 924 CB THR A 302 9.281 -0.101 9.491 1.00 0.00 C ATOM 925 OG1 THR A 302 8.715 -0.660 10.660 1.00 0.00 O ATOM 926 CG2 THR A 302 10.262 0.988 9.938 1.00 0.00 C ATOM 0 H THR A 302 7.345 -1.455 8.545 1.00 0.00 H new ATOM 0 HA THR A 302 7.801 1.364 9.119 1.00 0.00 H new ATOM 0 HB THR A 302 9.812 -0.847 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 302 9.427 -1.027 11.225 1.00 0.00 H new ATOM 0 HG21 THR A 302 11.039 0.544 10.560 1.00 0.00 H new ATOM 0 HG22 THR A 302 10.718 1.449 9.062 1.00 0.00 H new ATOM 0 HG23 THR A 302 9.728 1.746 10.511 1.00 0.00 H new ATOM 934 N TRP A 303 7.816 1.687 6.526 1.00 0.00 N ATOM 935 CA TRP A 303 8.041 2.125 5.140 1.00 0.00 C ATOM 936 C TRP A 303 9.087 3.248 4.970 1.00 0.00 C ATOM 937 O TRP A 303 9.335 3.717 3.854 1.00 0.00 O ATOM 938 CB TRP A 303 6.689 2.486 4.502 1.00 0.00 C ATOM 939 CG TRP A 303 6.084 3.795 4.924 1.00 0.00 C ATOM 940 CD1 TRP A 303 5.454 4.030 6.097 1.00 0.00 C ATOM 941 CD2 TRP A 303 6.034 5.062 4.191 1.00 0.00 C ATOM 942 NE1 TRP A 303 5.033 5.343 6.150 1.00 0.00 N ATOM 943 CE2 TRP A 303 5.365 6.029 5.002 1.00 0.00 C ATOM 944 CE3 TRP A 303 6.483 5.494 2.922 1.00 0.00 C ATOM 945 CZ2 TRP A 303 5.161 7.352 4.583 1.00 0.00 C ATOM 946 CZ3 TRP A 303 6.281 6.820 2.490 1.00 0.00 C ATOM 947 CH2 TRP A 303 5.627 7.750 3.318 1.00 0.00 C ATOM 0 H TRP A 303 6.941 2.038 6.916 1.00 0.00 H new ATOM 0 HA TRP A 303 8.490 1.284 4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 303 6.814 2.500 3.419 1.00 0.00 H new ATOM 0 HB3 TRP A 303 5.979 1.691 4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 303 5.303 3.298 6.877 1.00 0.00 H new ATOM 0 HE1 TRP A 303 4.538 5.755 6.941 1.00 0.00 H new ATOM 0 HE3 TRP A 303 6.990 4.796 2.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 4.652 8.056 5.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 6.631 7.125 1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 303 5.483 8.767 2.983 1.00 0.00 H new ATOM 958 N THR A 304 9.707 3.660 6.077 1.00 0.00 N ATOM 959 CA THR A 304 10.729 4.712 6.171 1.00 0.00 C ATOM 960 C THR A 304 12.068 4.182 5.661 1.00 0.00 C ATOM 961 O THR A 304 12.652 3.279 6.264 1.00 0.00 O ATOM 962 CB THR A 304 10.850 5.208 7.619 1.00 0.00 C ATOM 963 OG1 THR A 304 9.569 5.600 8.070 1.00 0.00 O ATOM 964 CG2 THR A 304 11.781 6.419 7.735 1.00 0.00 C ATOM 0 H THR A 304 9.500 3.247 6.986 1.00 0.00 H new ATOM 0 HA THR A 304 10.432 5.556 5.549 1.00 0.00 H new ATOM 0 HB THR A 304 11.262 4.395 8.217 1.00 0.00 H new ATOM 0 HG1 THR A 304 9.631 5.918 8.995 1.00 0.00 H new ATOM 0 HG21 THR A 304 11.837 6.736 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 304 12.777 6.147 7.384 1.00 0.00 H new ATOM 0 HG23 THR A 304 11.393 7.236 7.127 1.00 0.00 H new ATOM 972 N GLY A 305 12.552 4.750 4.553 1.00 0.00 N ATOM 973 CA GLY A 305 13.870 4.465 3.970 1.00 0.00 C ATOM 974 C GLY A 305 14.952 5.429 4.471 1.00 0.00 C ATOM 975 O GLY A 305 14.858 5.969 5.577 1.00 0.00 O ATOM 0 H GLY A 305 12.024 5.441 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 305 14.158 3.442 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 305 13.805 4.529 2.884 1.00 0.00 H new ATOM 979 N LEU A 306 15.982 5.652 3.649 1.00 0.00 N ATOM 980 CA LEU A 306 16.999 6.685 3.876 1.00 0.00 C ATOM 981 C LEU A 306 16.397 8.083 3.627 1.00 0.00 C ATOM 982 O LEU A 306 15.731 8.303 2.613 1.00 0.00 O ATOM 983 CB LEU A 306 18.207 6.386 2.965 1.00 0.00 C ATOM 984 CG LEU A 306 19.390 7.371 3.100 1.00 0.00 C ATOM 985 CD1 LEU A 306 19.988 7.376 4.515 1.00 0.00 C ATOM 986 CD2 LEU A 306 20.482 6.993 2.089 1.00 0.00 C ATOM 0 H LEU A 306 16.135 5.114 2.796 1.00 0.00 H new ATOM 0 HA LEU A 306 17.342 6.675 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 306 18.566 5.380 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 306 17.870 6.387 1.928 1.00 0.00 H new ATOM 0 HG LEU A 306 19.009 8.373 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 306 20.816 8.084 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 306 19.222 7.670 5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 306 20.351 6.378 4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 306 21.319 7.686 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 306 20.827 5.979 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 306 20.077 7.046 1.079 1.00 0.00 H new ATOM 998 N GLU A 307 16.637 9.022 4.549 1.00 0.00 N ATOM 999 CA GLU A 307 16.102 10.401 4.533 1.00 0.00 C ATOM 1000 C GLU A 307 17.202 11.465 4.344 1.00 0.00 C ATOM 1001 O GLU A 307 17.050 12.320 3.442 1.00 0.00 O ATOM 1002 CB GLU A 307 15.304 10.683 5.821 1.00 0.00 C ATOM 1003 CG GLU A 307 14.058 9.798 5.992 1.00 0.00 C ATOM 1004 CD GLU A 307 13.237 10.228 7.229 1.00 0.00 C ATOM 1005 OE1 GLU A 307 13.609 9.869 8.376 1.00 0.00 O ATOM 1006 OE2 GLU A 307 12.209 10.935 7.072 1.00 0.00 O ATOM 1007 OXT GLU A 307 18.210 11.442 5.089 1.00 0.00 O ATOM 0 H GLU A 307 17.230 8.843 5.359 1.00 0.00 H new ATOM 0 HA GLU A 307 15.439 10.472 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 307 15.959 10.540 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 307 14.997 11.729 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 307 13.437 9.862 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 307 14.360 8.756 6.096 1.00 0.00 H new TER 1014 GLU A 307 ATOM 1015 N ALA B 1 -12.432 5.048 1.289 1.00 0.00 N ATOM 1016 CA ALA B 1 -11.088 4.421 1.347 1.00 0.00 C ATOM 1017 C ALA B 1 -10.098 5.238 0.511 1.00 0.00 C ATOM 1018 O ALA B 1 -10.227 5.275 -0.715 1.00 0.00 O ATOM 1019 CB ALA B 1 -11.128 2.952 0.872 1.00 0.00 C ATOM 0 H1 ALA B 1 -13.160 4.306 1.267 1.00 0.00 H new ATOM 0 H2 ALA B 1 -12.573 5.646 2.128 1.00 0.00 H new ATOM 0 H3 ALA B 1 -12.506 5.632 0.432 1.00 0.00 H new ATOM 0 HA ALA B 1 -10.756 4.416 2.385 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -10.127 2.524 0.928 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -11.802 2.381 1.510 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -11.483 2.912 -0.158 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.121 5.911 1.140 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.076 6.641 0.399 1.00 0.00 C ATOM 1029 C ARG B 2 -7.077 5.684 -0.252 1.00 0.00 C ATOM 1030 O ARG B 2 -6.798 4.598 0.265 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.325 7.659 1.272 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.212 8.855 1.643 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.430 9.911 2.433 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.317 10.989 2.906 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.073 11.828 3.908 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.951 11.789 4.597 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.972 12.732 4.234 1.00 0.00 N ATOM 0 H ARG B 2 -9.032 5.966 2.155 1.00 0.00 H new ATOM 0 HA ARG B 2 -8.599 7.195 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.975 7.170 2.181 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.442 8.013 0.740 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.617 9.304 0.736 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -9.060 8.511 2.235 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.938 9.441 3.285 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.645 10.332 1.804 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.205 11.102 2.417 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.235 11.099 4.368 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.798 12.449 5.360 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.851 12.786 3.719 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.790 13.378 5.002 1.00 0.00 H new ATOM 1051 N THR B 3 -6.519 6.135 -1.375 1.00 0.00 N ATOM 1052 CA THR B 3 -5.548 5.424 -2.214 1.00 0.00 C ATOM 1053 C THR B 3 -4.453 6.376 -2.663 1.00 0.00 C ATOM 1054 O THR B 3 -4.695 7.556 -2.919 1.00 0.00 O ATOM 1055 CB THR B 3 -6.216 4.775 -3.436 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.125 5.659 -4.061 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.950 3.490 -3.061 1.00 0.00 C ATOM 0 H THR B 3 -6.743 7.058 -1.747 1.00 0.00 H new ATOM 0 HA THR B 3 -5.113 4.626 -1.613 1.00 0.00 H new ATOM 0 HB THR B 3 -5.413 4.535 -4.133 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.531 5.217 -4.835 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.409 3.060 -3.951 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.242 2.777 -2.638 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.723 3.714 -2.326 1.00 0.00 H new HETATM 1065 N M3L B 4 -3.239 5.835 -2.761 1.00 0.00 N HETATM 1066 CA M3L B 4 -2.041 6.510 -3.285 1.00 0.00 C HETATM 1067 CB M3L B 4 -1.354 7.329 -2.162 1.00 0.00 C HETATM 1068 CG M3L B 4 -0.557 6.454 -1.184 1.00 0.00 C HETATM 1069 CD M3L B 4 0.138 7.232 -0.063 1.00 0.00 C HETATM 1070 CE M3L B 4 1.162 6.280 0.599 1.00 0.00 C HETATM 1071 NZ M3L B 4 1.829 6.789 1.810 1.00 0.00 N HETATM 1072 C M3L B 4 -1.082 5.530 -3.978 1.00 0.00 C HETATM 1073 O M3L B 4 -1.266 4.313 -3.941 1.00 0.00 O HETATM 1074 CM1 M3L B 4 2.567 8.018 1.543 1.00 0.00 C HETATM 1075 CM2 M3L B 4 2.788 5.782 2.254 1.00 0.00 C HETATM 1076 CM3 M3L B 4 0.884 7.029 2.901 1.00 0.00 C HETATM 0 HM33 M3L B 4 0.145 7.766 2.587 1.00 0.00 H new HETATM 0 HM32 M3L B 4 0.381 6.097 3.158 1.00 0.00 H new HETATM 0 HM31 M3L B 4 1.422 7.403 3.772 1.00 0.00 H new HETATM 0 HM23 M3L B 4 2.263 4.853 2.476 1.00 0.00 H new HETATM 0 HM22 M3L B 4 3.521 5.606 1.467 1.00 0.00 H new HETATM 0 HM21 M3L B 4 3.297 6.135 3.151 1.00 0.00 H new HETATM 0 HM13 M3L B 4 3.328 7.828 0.786 1.00 0.00 H new HETATM 0 HM12 M3L B 4 1.880 8.784 1.182 1.00 0.00 H new HETATM 0 HM11 M3L B 4 3.045 8.362 2.460 1.00 0.00 H new HETATM 0 HG3 M3L B 4 -1.231 5.722 -0.738 1.00 0.00 H new HETATM 0 HG2 M3L B 4 0.195 5.897 -1.743 1.00 0.00 H new HETATM 0 HE3 M3L B 4 0.653 5.350 0.853 1.00 0.00 H new HETATM 0 HE2 M3L B 4 1.927 6.034 -0.137 1.00 0.00 H new HETATM 0 HD3 M3L B 4 0.638 8.115 -0.462 1.00 0.00 H new HETATM 0 HD2 M3L B 4 -0.590 7.581 0.669 1.00 0.00 H new HETATM 0 HB3 M3L B 4 -0.686 8.063 -2.612 1.00 0.00 H new HETATM 0 HB2 M3L B 4 -2.112 7.885 -1.609 1.00 0.00 H new HETATM 0 HA M3L B 4 -2.353 7.210 -4.060 1.00 0.00 H new ATOM 1096 N GLN B 5 -0.021 6.085 -4.553 1.00 0.00 N ATOM 1097 CA GLN B 5 1.114 5.375 -5.140 1.00 0.00 C ATOM 1098 C GLN B 5 2.392 6.128 -4.738 1.00 0.00 C ATOM 1099 O GLN B 5 2.370 7.361 -4.646 1.00 0.00 O ATOM 1100 CB GLN B 5 0.972 5.319 -6.675 1.00 0.00 C ATOM 1101 CG GLN B 5 -0.286 4.566 -7.146 1.00 0.00 C ATOM 1102 CD GLN B 5 -0.336 4.372 -8.665 1.00 0.00 C ATOM 1103 OE1 GLN B 5 0.625 3.977 -9.315 1.00 0.00 O ATOM 1104 NE2 GLN B 5 -1.458 4.646 -9.302 1.00 0.00 N ATOM 0 H GLN B 5 0.078 7.098 -4.627 1.00 0.00 H new ATOM 0 HA GLN B 5 1.154 4.348 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN B 5 0.946 6.336 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.854 4.837 -7.097 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -0.322 3.591 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -1.172 5.115 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -2.272 4.976 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -1.512 4.528 -10.314 1.00 0.00 H new ATOM 1113 N THR B 6 3.496 5.408 -4.491 1.00 0.00 N ATOM 1114 CA THR B 6 4.792 5.995 -4.098 1.00 0.00 C ATOM 1115 C THR B 6 5.919 5.479 -4.994 1.00 0.00 C ATOM 1116 O THR B 6 5.752 4.502 -5.724 1.00 0.00 O ATOM 1117 CB THR B 6 5.120 5.787 -2.611 1.00 0.00 C ATOM 1118 OG1 THR B 6 5.395 4.432 -2.347 1.00 0.00 O ATOM 1119 CG2 THR B 6 4.002 6.244 -1.677 1.00 0.00 C ATOM 0 H THR B 6 3.518 4.390 -4.558 1.00 0.00 H new ATOM 0 HA THR B 6 4.703 7.072 -4.241 1.00 0.00 H new ATOM 0 HB THR B 6 5.997 6.404 -2.414 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.603 4.320 -1.396 1.00 0.00 H new ATOM 0 HG21 THR B 6 4.298 6.069 -0.643 1.00 0.00 H new ATOM 0 HG22 THR B 6 3.815 7.307 -1.826 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.094 5.682 -1.894 1.00 0.00 H new ATOM 1127 N ALA B 7 7.078 6.137 -4.927 1.00 0.00 N ATOM 1128 CA ALA B 7 8.308 5.750 -5.631 1.00 0.00 C ATOM 1129 C ALA B 7 9.377 5.147 -4.690 1.00 0.00 C ATOM 1130 O ALA B 7 10.538 5.008 -5.087 1.00 0.00 O ATOM 1131 CB ALA B 7 8.814 6.991 -6.386 1.00 0.00 C ATOM 0 H ALA B 7 7.193 6.980 -4.365 1.00 0.00 H new ATOM 0 HA ALA B 7 8.092 4.947 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA B 7 9.729 6.742 -6.923 1.00 0.00 H new ATOM 0 HB2 ALA B 7 8.055 7.320 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA B 7 9.017 7.792 -5.675 1.00 0.00 H new ATOM 1137 N ARG B 8 9.011 4.845 -3.431 1.00 0.00 N ATOM 1138 CA ARG B 8 9.921 4.464 -2.333 1.00 0.00 C ATOM 1139 C ARG B 8 11.053 5.498 -2.128 1.00 0.00 C ATOM 1140 O ARG B 8 12.205 5.157 -1.850 1.00 0.00 O ATOM 1141 CB ARG B 8 10.410 3.010 -2.506 1.00 0.00 C ATOM 1142 CG ARG B 8 9.284 1.996 -2.257 1.00 0.00 C ATOM 1143 CD ARG B 8 9.785 0.548 -2.330 1.00 0.00 C ATOM 1144 NE ARG B 8 10.695 0.231 -1.211 1.00 0.00 N ATOM 1145 CZ ARG B 8 11.652 -0.692 -1.196 1.00 0.00 C ATOM 1146 NH1 ARG B 8 11.878 -1.487 -2.220 1.00 0.00 N ATOM 1147 NH2 ARG B 8 12.406 -0.828 -0.126 1.00 0.00 N ATOM 0 H ARG B 8 8.034 4.860 -3.138 1.00 0.00 H new ATOM 0 HA ARG B 8 9.362 4.484 -1.397 1.00 0.00 H new ATOM 0 HB2 ARG B 8 10.803 2.876 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG B 8 11.231 2.818 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG B 8 8.843 2.178 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG B 8 8.494 2.144 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG B 8 8.934 -0.133 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG B 8 10.302 0.388 -3.276 1.00 0.00 H new ATOM 0 HE ARG B 8 10.577 0.779 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG B 8 11.309 -1.407 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG B 8 12.622 -2.183 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG B 8 12.254 -0.228 0.684 1.00 0.00 H new ATOM 0 HH22 ARG B 8 13.142 -1.534 -0.107 1.00 0.00 H new ATOM 1161 N LYS B 9 10.708 6.782 -2.276 1.00 0.00 N ATOM 1162 CA LYS B 9 11.600 7.952 -2.220 1.00 0.00 C ATOM 1163 C LYS B 9 10.803 9.208 -1.809 1.00 0.00 C ATOM 1164 O LYS B 9 9.643 9.364 -2.208 1.00 0.00 O ATOM 1165 CB LYS B 9 12.300 8.092 -3.593 1.00 0.00 C ATOM 1166 CG LYS B 9 13.396 9.173 -3.673 1.00 0.00 C ATOM 1167 CD LYS B 9 12.886 10.544 -4.153 1.00 0.00 C ATOM 1168 CE LYS B 9 14.014 11.577 -4.312 1.00 0.00 C ATOM 1169 NZ LYS B 9 14.663 11.923 -3.022 1.00 0.00 N ATOM 0 H LYS B 9 9.740 7.051 -2.449 1.00 0.00 H new ATOM 0 HA LYS B 9 12.372 7.826 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.742 7.131 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.543 8.311 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.850 9.289 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS B 9 14.181 8.832 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.374 10.422 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.151 10.922 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.765 11.185 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.610 12.483 -4.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.306 12.728 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.935 12.179 -2.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.203 11.105 -2.675 1.00 0.00 H new ATOM 1183 N SER B 10 11.418 10.095 -1.019 1.00 0.00 N ATOM 1184 CA SER B 10 10.812 11.306 -0.421 1.00 0.00 C ATOM 1185 C SER B 10 11.697 12.558 -0.530 1.00 0.00 C ATOM 1186 O SER B 10 11.182 13.667 -0.261 1.00 0.00 O ATOM 1187 CB SER B 10 10.432 11.022 1.037 1.00 0.00 C ATOM 1188 OG SER B 10 11.568 10.576 1.764 1.00 0.00 O ATOM 1189 OXT SER B 10 12.872 12.444 -0.950 1.00 0.00 O ATOM 0 H SER B 10 12.400 9.989 -0.762 1.00 0.00 H new ATOM 0 HA SER B 10 9.917 11.535 -0.999 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.028 11.924 1.497 1.00 0.00 H new ATOM 0 HB3 SER B 10 9.648 10.266 1.075 1.00 0.00 H new ATOM 0 HG SER B 10 11.313 10.400 2.694 1.00 0.00 H new TER 1195 SER B 10 HETATM 1196 ZN ZN A 501 -7.351 -1.350 9.770 1.00 0.00 ZN