USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 TYR OH : rot -130:sc= -3.84! USER MOD Set 3.2: A 112 HIS : no HD1:sc= -8.28! C(o=-12!,f=-16!) USER MOD Single : A 12 TYR OH : rot 118:sc= -2.57! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -162:sc= -1.9 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -80:sc= 1.01 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00129 K(o=-0.0013,f=-2.1) USER MOD Single : A 30 ASN :FLIP amide:sc= 0.881 F(o=-0.86,f=0.88) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -1.3 (180deg=-1.54) USER MOD Single : A 34 GLN :FLIP amide:sc= -1.07 F(o=-3.2,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.75) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -117:sc= -9.34! (180deg=-18.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.768 F(o=-2,f=-0.77) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.208) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 171:sc= -0.564 (180deg=-1.08) USER MOD Single : A 73 THR OG1 : rot 56:sc= -5.13! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 68:sc= -0.0763 USER MOD Single : A 83 SER OG : rot -51:sc= 1.23 USER MOD Single : A 84 ASN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 87 ASN : amide:sc= -2.69 K(o=-2.7,f=-4.1!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00108 X(o=-0.0011,f=0) USER MOD Single : A 98 THR OG1 : rot 29:sc= -4.25! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -169:sc= -0.136 (180deg=-0.261) USER MOD Single : A 109 MET CE :methyl -143:sc= 0 (180deg=-2.31) USER MOD Single : A 110 SER OG : rot 48:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -3.141 2.700 14.826 1.00 0.00 N ATOM 194 CA TYR A 12 -3.224 4.122 15.154 1.00 0.00 C ATOM 195 C TYR A 12 -4.600 4.687 14.816 1.00 0.00 C ATOM 196 O TYR A 12 -5.420 4.914 15.706 1.00 0.00 O ATOM 197 CB TYR A 12 -2.125 4.885 14.396 1.00 0.00 C ATOM 198 CG TYR A 12 -1.208 3.963 13.618 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.454 3.001 14.275 1.00 0.00 C ATOM 200 CD2 TYR A 12 -1.136 4.019 12.233 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.345 2.123 13.582 1.00 0.00 C ATOM 202 CE2 TYR A 12 -0.327 3.146 11.528 1.00 0.00 C ATOM 203 CZ TYR A 12 0.410 2.198 12.208 1.00 0.00 C ATOM 204 OH TYR A 12 1.208 1.320 11.512 1.00 0.00 O ATOM 0 HA TYR A 12 -3.075 4.243 16.227 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.587 5.595 13.710 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.535 5.465 15.105 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.496 2.941 15.353 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.719 4.754 11.699 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.919 1.378 14.112 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.272 3.206 10.451 1.00 0.00 H new ATOM 0 HH TYR A 12 0.653 0.780 10.911 1.00 0.00 H new ATOM 214 N GLY A 13 -4.852 4.909 13.530 1.00 0.00 N ATOM 215 CA GLY A 13 -6.136 5.443 13.115 1.00 0.00 C ATOM 216 C GLY A 13 -6.138 5.936 11.680 1.00 0.00 C ATOM 217 O GLY A 13 -6.407 5.170 10.755 1.00 0.00 O ATOM 0 H GLY A 13 -4.194 4.730 12.772 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.898 4.672 13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.412 6.265 13.776 1.00 0.00 H new ATOM 221 N ILE A 14 -5.847 7.221 11.497 1.00 0.00 N ATOM 222 CA ILE A 14 -5.826 7.821 10.165 1.00 0.00 C ATOM 223 C ILE A 14 -5.050 6.958 9.173 1.00 0.00 C ATOM 224 O ILE A 14 -5.515 6.706 8.061 1.00 0.00 O ATOM 225 CB ILE A 14 -5.222 9.243 10.199 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.459 9.963 8.865 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.737 9.193 10.537 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.575 9.482 7.732 1.00 0.00 C ATOM 0 H ILE A 14 -5.622 7.867 12.254 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.862 7.886 9.833 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.725 9.809 10.983 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.502 9.834 8.576 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.297 11.031 9.008 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.334 10.205 10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.602 8.731 11.515 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.212 8.607 9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.807 10.042 6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.529 9.636 7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.752 8.421 7.557 1.00 0.00 H new ATOM 240 N GLU A 15 -3.872 6.502 9.581 1.00 0.00 N ATOM 241 CA GLU A 15 -3.047 5.664 8.722 1.00 0.00 C ATOM 242 C GLU A 15 -3.662 4.278 8.583 1.00 0.00 C ATOM 243 O GLU A 15 -3.536 3.633 7.541 1.00 0.00 O ATOM 244 CB GLU A 15 -1.624 5.562 9.278 1.00 0.00 C ATOM 245 CG GLU A 15 -0.569 6.152 8.356 1.00 0.00 C ATOM 246 CD GLU A 15 0.503 6.914 9.110 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.478 6.277 9.561 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.368 8.148 9.248 1.00 0.00 O ATOM 0 H GLU A 15 -3.469 6.698 10.497 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.000 6.124 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.581 6.073 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.389 4.514 9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.104 5.351 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.049 6.820 7.641 1.00 0.00 H new ATOM 255 N GLY A 16 -4.341 3.831 9.634 1.00 0.00 N ATOM 256 CA GLY A 16 -4.978 2.531 9.600 1.00 0.00 C ATOM 257 C GLY A 16 -6.219 2.539 8.734 1.00 0.00 C ATOM 258 O GLY A 16 -6.539 1.543 8.086 1.00 0.00 O ATOM 0 H GLY A 16 -4.461 4.346 10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.274 1.790 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.243 2.229 10.613 1.00 0.00 H new ATOM 262 N ARG A 17 -6.915 3.672 8.716 1.00 0.00 N ATOM 263 CA ARG A 17 -8.126 3.816 7.919 1.00 0.00 C ATOM 264 C ARG A 17 -7.803 3.761 6.430 1.00 0.00 C ATOM 265 O ARG A 17 -8.653 3.398 5.619 1.00 0.00 O ATOM 266 CB ARG A 17 -8.831 5.131 8.253 1.00 0.00 C ATOM 267 CG ARG A 17 -10.320 5.119 7.944 1.00 0.00 C ATOM 268 CD ARG A 17 -10.587 5.412 6.478 1.00 0.00 C ATOM 269 NE ARG A 17 -11.865 6.090 6.279 1.00 0.00 N ATOM 270 CZ ARG A 17 -12.064 7.385 6.520 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.070 8.143 6.967 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.257 7.922 6.312 1.00 0.00 N ATOM 0 H ARG A 17 -6.659 4.505 9.246 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.791 2.987 8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.690 5.351 9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.359 5.939 7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.739 4.147 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.827 5.860 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.783 6.031 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.580 4.479 5.915 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.652 5.539 5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.149 7.734 7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.227 9.134 7.150 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.023 7.344 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.409 8.914 6.497 1.00 0.00 H new ATOM 286 N TYR A 18 -6.571 4.115 6.072 1.00 0.00 N ATOM 287 CA TYR A 18 -6.155 4.092 4.674 1.00 0.00 C ATOM 288 C TYR A 18 -6.349 2.700 4.089 1.00 0.00 C ATOM 289 O TYR A 18 -6.958 2.538 3.031 1.00 0.00 O ATOM 290 CB TYR A 18 -4.690 4.515 4.545 1.00 0.00 C ATOM 291 CG TYR A 18 -4.507 5.924 4.029 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.953 7.014 4.764 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.888 6.163 2.808 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.787 8.304 4.299 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.720 7.451 2.335 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.171 8.517 3.084 1.00 0.00 C ATOM 297 OH TYR A 18 -4.005 9.801 2.617 1.00 0.00 O ATOM 0 H TYR A 18 -5.849 4.419 6.725 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.773 4.798 4.119 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.209 4.429 5.519 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.179 3.823 3.875 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.438 6.851 5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.533 5.330 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.138 9.141 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.238 7.621 1.384 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.553 9.777 1.748 1.00 0.00 H new ATOM 307 N ALA A 19 -5.835 1.697 4.790 1.00 0.00 N ATOM 308 CA ALA A 19 -5.961 0.318 4.347 1.00 0.00 C ATOM 309 C ALA A 19 -7.384 -0.177 4.550 1.00 0.00 C ATOM 310 O ALA A 19 -7.869 -1.023 3.800 1.00 0.00 O ATOM 311 CB ALA A 19 -4.973 -0.570 5.088 1.00 0.00 C ATOM 0 H ALA A 19 -5.328 1.815 5.667 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.731 0.273 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.080 -1.599 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.957 -0.226 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.173 -0.522 6.159 1.00 0.00 H new ATOM 317 N THR A 20 -8.056 0.364 5.561 1.00 0.00 N ATOM 318 CA THR A 20 -9.429 -0.022 5.844 1.00 0.00 C ATOM 319 C THR A 20 -10.378 0.607 4.831 1.00 0.00 C ATOM 320 O THR A 20 -11.444 0.063 4.545 1.00 0.00 O ATOM 321 CB THR A 20 -9.832 0.376 7.265 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.702 0.416 8.115 1.00 0.00 O ATOM 323 CG2 THR A 20 -10.834 -0.575 7.883 1.00 0.00 C ATOM 0 H THR A 20 -7.673 1.067 6.193 1.00 0.00 H new ATOM 0 HA THR A 20 -9.496 -1.107 5.764 1.00 0.00 H new ATOM 0 HB THR A 20 -10.290 1.361 7.173 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.994 0.383 9.050 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.081 -0.240 8.890 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.739 -0.595 7.276 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.405 -1.576 7.929 1.00 0.00 H new ATOM 331 N ALA A 21 -9.978 1.750 4.278 1.00 0.00 N ATOM 332 CA ALA A 21 -10.794 2.435 3.285 1.00 0.00 C ATOM 333 C ALA A 21 -10.470 1.943 1.881 1.00 0.00 C ATOM 334 O ALA A 21 -11.023 2.434 0.896 1.00 0.00 O ATOM 335 CB ALA A 21 -10.606 3.941 3.385 1.00 0.00 C ATOM 0 H ALA A 21 -9.099 2.217 4.501 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.840 2.206 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.224 4.435 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.901 4.279 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.559 4.189 3.213 1.00 0.00 H new ATOM 341 N LEU A 22 -9.593 0.947 1.795 1.00 0.00 N ATOM 342 CA LEU A 22 -9.224 0.362 0.515 1.00 0.00 C ATOM 343 C LEU A 22 -9.697 -1.065 0.497 1.00 0.00 C ATOM 344 O LEU A 22 -10.300 -1.526 -0.473 1.00 0.00 O ATOM 345 CB LEU A 22 -7.711 0.431 0.290 1.00 0.00 C ATOM 346 CG LEU A 22 -7.203 -0.335 -0.935 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.965 0.613 -2.099 1.00 0.00 C ATOM 348 CD2 LEU A 22 -5.932 -1.100 -0.595 1.00 0.00 C ATOM 0 H LEU A 22 -9.125 0.529 2.599 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.694 0.924 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.421 1.477 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.209 0.043 1.176 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.967 -1.054 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.604 0.049 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.898 1.113 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.221 1.358 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.585 -1.639 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.162 -0.400 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.138 -1.810 0.206 1.00 0.00 H new ATOM 360 N TYR A 23 -9.463 -1.748 1.600 1.00 0.00 N ATOM 361 CA TYR A 23 -9.911 -3.104 1.734 1.00 0.00 C ATOM 362 C TYR A 23 -11.432 -3.114 1.864 1.00 0.00 C ATOM 363 O TYR A 23 -12.064 -4.146 1.672 1.00 0.00 O ATOM 364 CB TYR A 23 -9.251 -3.765 2.940 1.00 0.00 C ATOM 365 CG TYR A 23 -10.235 -4.257 3.967 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.920 -5.443 3.770 1.00 0.00 C ATOM 367 CD2 TYR A 23 -10.482 -3.534 5.123 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.830 -5.900 4.692 1.00 0.00 C ATOM 369 CE2 TYR A 23 -11.389 -3.980 6.054 1.00 0.00 C ATOM 370 CZ TYR A 23 -12.065 -5.164 5.836 1.00 0.00 C ATOM 371 OH TYR A 23 -12.980 -5.606 6.757 1.00 0.00 O ATOM 0 H TYR A 23 -8.965 -1.380 2.411 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.627 -3.675 0.850 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.645 -4.604 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.573 -3.052 3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.736 -6.020 2.876 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.954 -2.607 5.295 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.357 -6.827 4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.572 -3.408 6.951 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.597 -4.878 6.981 1.00 0.00 H new ATOM 381 N SER A 24 -12.024 -1.949 2.171 1.00 0.00 N ATOM 382 CA SER A 24 -13.475 -1.854 2.289 1.00 0.00 C ATOM 383 C SER A 24 -14.113 -2.491 1.065 1.00 0.00 C ATOM 384 O SER A 24 -15.139 -3.165 1.156 1.00 0.00 O ATOM 385 CB SER A 24 -13.914 -0.395 2.420 1.00 0.00 C ATOM 386 OG SER A 24 -15.327 -0.285 2.429 1.00 0.00 O ATOM 0 H SER A 24 -11.524 -1.076 2.338 1.00 0.00 H new ATOM 0 HA SER A 24 -13.798 -2.381 3.187 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.508 0.029 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.506 0.186 1.593 1.00 0.00 H new ATOM 0 HG SER A 24 -15.581 0.658 2.515 1.00 0.00 H new ATOM 392 N ALA A 25 -13.456 -2.305 -0.075 1.00 0.00 N ATOM 393 CA ALA A 25 -13.906 -2.894 -1.320 1.00 0.00 C ATOM 394 C ALA A 25 -13.416 -4.330 -1.386 1.00 0.00 C ATOM 395 O ALA A 25 -14.096 -5.210 -1.917 1.00 0.00 O ATOM 396 CB ALA A 25 -13.401 -2.093 -2.511 1.00 0.00 C ATOM 0 H ALA A 25 -12.606 -1.747 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.995 -2.880 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.751 -2.554 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.778 -1.072 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.311 -2.078 -2.504 1.00 0.00 H new ATOM 402 N ALA A 26 -12.235 -4.565 -0.811 1.00 0.00 N ATOM 403 CA ALA A 26 -11.663 -5.900 -0.772 1.00 0.00 C ATOM 404 C ALA A 26 -12.415 -6.778 0.226 1.00 0.00 C ATOM 405 O ALA A 26 -12.263 -7.998 0.227 1.00 0.00 O ATOM 406 CB ALA A 26 -10.189 -5.832 -0.409 1.00 0.00 C ATOM 0 H ALA A 26 -11.662 -3.846 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.759 -6.345 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.774 -6.839 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.658 -5.239 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.077 -5.368 0.571 1.00 0.00 H new ATOM 412 N SER A 27 -13.228 -6.149 1.076 1.00 0.00 N ATOM 413 CA SER A 27 -14.005 -6.874 2.070 1.00 0.00 C ATOM 414 C SER A 27 -15.183 -7.572 1.407 1.00 0.00 C ATOM 415 O SER A 27 -15.447 -8.748 1.662 1.00 0.00 O ATOM 416 CB SER A 27 -14.504 -5.919 3.158 1.00 0.00 C ATOM 417 OG SER A 27 -15.720 -5.298 2.778 1.00 0.00 O ATOM 0 H SER A 27 -13.362 -5.138 1.092 1.00 0.00 H new ATOM 0 HA SER A 27 -13.364 -7.625 2.532 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.648 -6.468 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.749 -5.157 3.351 1.00 0.00 H new ATOM 0 HG SER A 27 -15.531 -4.551 2.173 1.00 0.00 H new ATOM 423 N LYS A 28 -15.879 -6.844 0.537 1.00 0.00 N ATOM 424 CA LYS A 28 -17.018 -7.401 -0.181 1.00 0.00 C ATOM 425 C LYS A 28 -16.587 -8.630 -0.972 1.00 0.00 C ATOM 426 O LYS A 28 -17.374 -9.548 -1.200 1.00 0.00 O ATOM 427 CB LYS A 28 -17.623 -6.356 -1.119 1.00 0.00 C ATOM 428 CG LYS A 28 -18.689 -5.493 -0.464 1.00 0.00 C ATOM 429 CD LYS A 28 -19.563 -4.804 -1.499 1.00 0.00 C ATOM 430 CE LYS A 28 -21.015 -4.745 -1.052 1.00 0.00 C ATOM 431 NZ LYS A 28 -21.802 -3.764 -1.850 1.00 0.00 N ATOM 0 H LYS A 28 -15.674 -5.870 0.314 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.776 -7.695 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.827 -5.713 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.057 -6.862 -1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.310 -6.110 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.213 -4.744 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.194 -3.793 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.495 -5.337 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.464 -5.734 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.059 -4.474 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -22.786 -3.754 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.389 -2.816 -1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -21.781 -4.036 -2.853 1.00 0.00 H new ATOM 445 N GLN A 29 -15.320 -8.639 -1.378 1.00 0.00 N ATOM 446 CA GLN A 29 -14.764 -9.752 -2.132 1.00 0.00 C ATOM 447 C GLN A 29 -14.106 -10.754 -1.191 1.00 0.00 C ATOM 448 O GLN A 29 -14.320 -11.960 -1.312 1.00 0.00 O ATOM 449 CB GLN A 29 -13.745 -9.247 -3.155 1.00 0.00 C ATOM 450 CG GLN A 29 -14.323 -8.258 -4.153 1.00 0.00 C ATOM 451 CD GLN A 29 -13.272 -7.686 -5.084 1.00 0.00 C ATOM 452 OE1 GLN A 29 -12.073 -7.844 -4.858 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.719 -7.017 -6.141 1.00 0.00 N ATOM 0 H GLN A 29 -14.659 -7.884 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.577 -10.249 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.916 -8.775 -2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.334 -10.099 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.095 -8.752 -4.743 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.807 -7.444 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.722 -6.910 -6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.059 -6.610 -6.804 1.00 0.00 H new ATOM 462 N ASN A 30 -13.294 -10.239 -0.259 1.00 0.00 N ATOM 463 CA ASN A 30 -12.580 -11.064 0.718 1.00 0.00 C ATOM 464 C ASN A 30 -11.150 -11.276 0.258 1.00 0.00 C ATOM 465 O ASN A 30 -10.563 -12.338 0.464 1.00 0.00 O ATOM 466 CB ASN A 30 -13.269 -12.417 0.939 1.00 0.00 C ATOM 467 CG ASN A 30 -12.857 -13.067 2.246 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.832 -13.333 3.107 1.00 0.00 O flip ATOM 469 ND2 ASN A 30 -11.676 -13.328 2.479 1.00 0.00 N flip ATOM 0 H ASN A 30 -13.115 -9.239 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.587 -10.535 1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.350 -12.277 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.027 -13.085 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.959 -13.106 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.415 -13.766 3.362 1.00 0.00 H new ATOM 476 N LYS A 31 -10.598 -10.247 -0.372 1.00 0.00 N ATOM 477 CA LYS A 31 -9.238 -10.300 -0.874 1.00 0.00 C ATOM 478 C LYS A 31 -8.245 -9.769 0.155 1.00 0.00 C ATOM 479 O LYS A 31 -7.114 -9.429 -0.191 1.00 0.00 O ATOM 480 CB LYS A 31 -9.125 -9.504 -2.173 1.00 0.00 C ATOM 481 CG LYS A 31 -9.777 -10.191 -3.362 1.00 0.00 C ATOM 482 CD LYS A 31 -8.749 -10.905 -4.227 1.00 0.00 C ATOM 483 CE LYS A 31 -8.701 -12.393 -3.923 1.00 0.00 C ATOM 484 NZ LYS A 31 -7.555 -12.743 -3.039 1.00 0.00 N ATOM 0 H LYS A 31 -11.077 -9.363 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.993 -11.344 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.584 -8.526 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.072 -9.333 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.517 -10.909 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.310 -9.454 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.991 -10.755 -5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.765 -10.467 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.633 -12.696 -3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.624 -12.952 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.661 -13.722 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.666 -12.653 -3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.537 -12.099 -2.223 1.00 0.00 H new ATOM 498 N LEU A 32 -8.663 -9.719 1.426 1.00 0.00 N ATOM 499 CA LEU A 32 -7.795 -9.251 2.504 1.00 0.00 C ATOM 500 C LEU A 32 -6.383 -9.783 2.313 1.00 0.00 C ATOM 501 O LEU A 32 -5.408 -9.106 2.618 1.00 0.00 O ATOM 502 CB LEU A 32 -8.348 -9.719 3.847 1.00 0.00 C ATOM 503 CG LEU A 32 -9.473 -8.853 4.401 1.00 0.00 C ATOM 504 CD1 LEU A 32 -9.924 -9.368 5.757 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.015 -7.411 4.492 1.00 0.00 C ATOM 0 H LEU A 32 -9.596 -9.997 1.729 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.764 -8.162 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.712 -10.741 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.535 -9.744 4.572 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.326 -8.904 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.728 -8.737 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.283 -10.392 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.085 -9.345 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.823 -6.797 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.151 -7.345 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.741 -7.053 3.500 1.00 0.00 H new ATOM 517 N GLU A 33 -6.293 -10.999 1.785 1.00 0.00 N ATOM 518 CA GLU A 33 -5.004 -11.628 1.528 1.00 0.00 C ATOM 519 C GLU A 33 -4.285 -10.913 0.388 1.00 0.00 C ATOM 520 O GLU A 33 -3.131 -10.507 0.524 1.00 0.00 O ATOM 521 CB GLU A 33 -5.191 -13.107 1.184 1.00 0.00 C ATOM 522 CG GLU A 33 -5.637 -13.954 2.365 1.00 0.00 C ATOM 523 CD GLU A 33 -7.117 -14.280 2.321 1.00 0.00 C ATOM 524 OE1 GLU A 33 -7.916 -13.374 2.006 1.00 0.00 O ATOM 525 OE2 GLU A 33 -7.477 -15.443 2.603 1.00 0.00 O ATOM 0 H GLU A 33 -7.099 -11.569 1.527 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.397 -11.553 2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.927 -13.196 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.252 -13.503 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.064 -14.881 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.412 -13.426 3.292 1.00 0.00 H new ATOM 532 N GLN A 34 -4.984 -10.752 -0.733 1.00 0.00 N ATOM 533 CA GLN A 34 -4.423 -10.073 -1.895 1.00 0.00 C ATOM 534 C GLN A 34 -4.057 -8.635 -1.551 1.00 0.00 C ATOM 535 O GLN A 34 -3.174 -8.042 -2.169 1.00 0.00 O ATOM 536 CB GLN A 34 -5.418 -10.097 -3.058 1.00 0.00 C ATOM 537 CG GLN A 34 -4.810 -10.562 -4.371 1.00 0.00 C ATOM 538 CD GLN A 34 -3.595 -9.748 -4.774 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.705 -8.429 -4.670 1.00 0.00 O flip ATOM 540 NE2 GLN A 34 -2.569 -10.299 -5.172 1.00 0.00 N flip ATOM 0 H GLN A 34 -5.940 -11.083 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.517 -10.600 -2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.249 -10.753 -2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.831 -9.097 -3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.527 -11.611 -4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.562 -10.499 -5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.528 -11.316 -5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.759 -9.738 -5.438 1.00 0.00 H new ATOM 549 N VAL A 35 -4.744 -8.079 -0.558 1.00 0.00 N ATOM 550 CA VAL A 35 -4.491 -6.709 -0.130 1.00 0.00 C ATOM 551 C VAL A 35 -3.592 -6.676 1.108 1.00 0.00 C ATOM 552 O VAL A 35 -3.076 -5.624 1.480 1.00 0.00 O ATOM 553 CB VAL A 35 -5.803 -5.951 0.193 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.746 -4.538 -0.363 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.032 -6.691 -0.340 1.00 0.00 C ATOM 0 H VAL A 35 -5.479 -8.556 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.992 -6.215 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.899 -5.901 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.674 -4.017 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.908 -4.004 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.615 -4.578 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.932 -6.127 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.954 -6.794 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.087 -7.680 0.115 1.00 0.00 H new ATOM 565 N GLU A 36 -3.409 -7.832 1.742 1.00 0.00 N ATOM 566 CA GLU A 36 -2.570 -7.924 2.933 1.00 0.00 C ATOM 567 C GLU A 36 -1.149 -8.324 2.557 1.00 0.00 C ATOM 568 O GLU A 36 -0.202 -8.070 3.303 1.00 0.00 O ATOM 569 CB GLU A 36 -3.148 -8.933 3.931 1.00 0.00 C ATOM 570 CG GLU A 36 -2.259 -9.179 5.141 1.00 0.00 C ATOM 571 CD GLU A 36 -1.450 -10.456 5.019 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.042 -11.504 4.685 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.225 -10.408 5.258 1.00 0.00 O ATOM 0 H GLU A 36 -3.829 -8.715 1.452 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.548 -6.941 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.120 -8.576 4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.318 -9.880 3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.582 -8.335 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.877 -9.229 6.037 1.00 0.00 H new ATOM 580 N LYS A 37 -1.006 -8.939 1.389 1.00 0.00 N ATOM 581 CA LYS A 37 0.300 -9.358 0.907 1.00 0.00 C ATOM 582 C LYS A 37 0.960 -8.208 0.173 1.00 0.00 C ATOM 583 O LYS A 37 2.172 -8.008 0.261 1.00 0.00 O ATOM 584 CB LYS A 37 0.170 -10.574 -0.013 1.00 0.00 C ATOM 585 CG LYS A 37 1.152 -11.689 0.308 1.00 0.00 C ATOM 586 CD LYS A 37 0.669 -12.538 1.473 1.00 0.00 C ATOM 587 CE LYS A 37 1.404 -12.193 2.758 1.00 0.00 C ATOM 588 NZ LYS A 37 2.565 -13.094 2.994 1.00 0.00 N ATOM 0 H LYS A 37 -1.779 -9.157 0.760 1.00 0.00 H new ATOM 0 HA LYS A 37 0.918 -9.643 1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.845 -10.965 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.319 -10.256 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.289 -12.319 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.125 -11.261 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.401 -12.389 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.816 -13.593 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.750 -11.160 2.712 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.715 -12.261 3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.039 -12.825 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.233 -14.077 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.236 -13.010 2.204 1.00 0.00 H new ATOM 602 N GLU A 38 0.145 -7.442 -0.545 1.00 0.00 N ATOM 603 CA GLU A 38 0.635 -6.300 -1.287 1.00 0.00 C ATOM 604 C GLU A 38 1.373 -5.324 -0.378 1.00 0.00 C ATOM 605 O GLU A 38 2.482 -4.887 -0.684 1.00 0.00 O ATOM 606 CB GLU A 38 -0.528 -5.579 -1.952 1.00 0.00 C ATOM 607 CG GLU A 38 -1.698 -5.309 -1.024 1.00 0.00 C ATOM 608 CD GLU A 38 -1.634 -3.936 -0.383 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.608 -3.245 -0.557 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.615 -3.547 0.285 1.00 0.00 O ATOM 0 H GLU A 38 -0.860 -7.597 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 38 1.331 -6.666 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.172 -4.631 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.877 -6.174 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.629 -5.401 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.720 -6.069 -0.243 1.00 0.00 H new ATOM 617 N LEU A 39 0.744 -4.977 0.736 1.00 0.00 N ATOM 618 CA LEU A 39 1.333 -4.039 1.682 1.00 0.00 C ATOM 619 C LEU A 39 2.759 -4.443 2.032 1.00 0.00 C ATOM 620 O LEU A 39 3.640 -3.594 2.162 1.00 0.00 O ATOM 621 CB LEU A 39 0.480 -3.954 2.948 1.00 0.00 C ATOM 622 CG LEU A 39 -0.976 -3.539 2.725 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.747 -3.582 4.034 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.048 -2.150 2.109 1.00 0.00 C ATOM 0 H LEU A 39 -0.174 -5.330 1.007 1.00 0.00 H new ATOM 0 HA LEU A 39 1.363 -3.056 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.493 -4.926 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.943 -3.243 3.632 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.433 -4.245 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.781 -3.284 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.725 -4.595 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.289 -2.898 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.091 -1.873 1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.574 -1.431 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.530 -2.150 1.150 1.00 0.00 H new ATOM 636 N LEU A 40 2.983 -5.744 2.169 1.00 0.00 N ATOM 637 CA LEU A 40 4.311 -6.251 2.488 1.00 0.00 C ATOM 638 C LEU A 40 5.277 -5.988 1.337 1.00 0.00 C ATOM 639 O LEU A 40 6.490 -5.925 1.533 1.00 0.00 O ATOM 640 CB LEU A 40 4.253 -7.749 2.794 1.00 0.00 C ATOM 641 CG LEU A 40 3.389 -8.132 3.996 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.204 -9.639 4.063 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.009 -7.611 5.284 1.00 0.00 C ATOM 0 H LEU A 40 2.267 -6.463 2.065 1.00 0.00 H new ATOM 0 HA LEU A 40 4.673 -5.727 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.875 -8.270 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.268 -8.109 2.966 1.00 0.00 H new ATOM 0 HG LEU A 40 2.408 -7.672 3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.587 -9.892 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.716 -9.986 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.177 -10.121 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.381 -7.892 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.002 -8.042 5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.088 -6.525 5.236 1.00 0.00 H new ATOM 655 N ARG A 41 4.728 -5.829 0.136 1.00 0.00 N ATOM 656 CA ARG A 41 5.538 -5.566 -1.046 1.00 0.00 C ATOM 657 C ARG A 41 6.056 -4.130 -1.036 1.00 0.00 C ATOM 658 O ARG A 41 7.260 -3.897 -1.125 1.00 0.00 O ATOM 659 CB ARG A 41 4.726 -5.826 -2.317 1.00 0.00 C ATOM 660 CG ARG A 41 5.396 -6.793 -3.280 1.00 0.00 C ATOM 661 CD ARG A 41 5.415 -8.210 -2.726 1.00 0.00 C ATOM 662 NE ARG A 41 6.763 -8.773 -2.708 1.00 0.00 N ATOM 663 CZ ARG A 41 7.408 -9.186 -3.796 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.833 -9.101 -4.990 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.633 -9.685 -3.691 1.00 0.00 N ATOM 0 H ARG A 41 3.725 -5.878 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 41 6.393 -6.242 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.749 -6.221 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.553 -4.879 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.869 -6.781 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.417 -6.464 -3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.009 -8.209 -1.714 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.765 -8.844 -3.330 1.00 0.00 H new ATOM 0 HE ARG A 41 7.237 -8.854 -1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.892 -8.717 -5.077 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.333 -9.419 -5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.080 -9.752 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.128 -10.002 -4.525 1.00 0.00 H new ATOM 679 N VAL A 42 5.140 -3.170 -0.923 1.00 0.00 N ATOM 680 CA VAL A 42 5.519 -1.763 -0.896 1.00 0.00 C ATOM 681 C VAL A 42 6.404 -1.460 0.310 1.00 0.00 C ATOM 682 O VAL A 42 7.147 -0.479 0.313 1.00 0.00 O ATOM 683 CB VAL A 42 4.285 -0.839 -0.867 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.707 0.621 -0.952 1.00 0.00 C ATOM 685 CG2 VAL A 42 3.326 -1.184 -1.996 1.00 0.00 C ATOM 0 H VAL A 42 4.137 -3.341 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 42 6.076 -1.569 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 42 3.767 -0.993 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.822 1.257 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.350 0.864 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.252 0.789 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.463 -0.520 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.833 -1.063 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.994 -2.217 -1.889 1.00 0.00 H new ATOM 695 N GLY A 43 6.324 -2.310 1.331 1.00 0.00 N ATOM 696 CA GLY A 43 7.130 -2.111 2.520 1.00 0.00 C ATOM 697 C GLY A 43 8.564 -2.554 2.316 1.00 0.00 C ATOM 698 O GLY A 43 9.499 -1.869 2.732 1.00 0.00 O ATOM 0 H GLY A 43 5.717 -3.130 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.112 -1.057 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.694 -2.666 3.350 1.00 0.00 H new ATOM 702 N GLN A 44 8.737 -3.700 1.666 1.00 0.00 N ATOM 703 CA GLN A 44 10.067 -4.229 1.397 1.00 0.00 C ATOM 704 C GLN A 44 10.801 -3.343 0.398 1.00 0.00 C ATOM 705 O GLN A 44 12.026 -3.225 0.439 1.00 0.00 O ATOM 706 CB GLN A 44 9.973 -5.658 0.858 1.00 0.00 C ATOM 707 CG GLN A 44 11.122 -6.550 1.296 1.00 0.00 C ATOM 708 CD GLN A 44 10.803 -7.340 2.550 1.00 0.00 C ATOM 709 OE1 GLN A 44 9.694 -7.849 2.711 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.776 -7.444 3.447 1.00 0.00 N ATOM 0 H GLN A 44 7.973 -4.279 1.317 1.00 0.00 H new ATOM 0 HA GLN A 44 10.627 -4.241 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.034 -6.101 1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.944 -5.625 -0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.369 -7.240 0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.006 -5.937 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.680 -7.006 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.619 -7.962 4.311 1.00 0.00 H new ATOM 719 N ILE A 45 10.042 -2.718 -0.497 1.00 0.00 N ATOM 720 CA ILE A 45 10.618 -1.838 -1.505 1.00 0.00 C ATOM 721 C ILE A 45 11.256 -0.615 -0.869 1.00 0.00 C ATOM 722 O ILE A 45 12.124 0.020 -1.468 1.00 0.00 O ATOM 723 CB ILE A 45 9.560 -1.392 -2.535 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.930 -2.613 -3.209 1.00 0.00 C ATOM 725 CG2 ILE A 45 10.182 -0.473 -3.577 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.508 -2.383 -3.670 1.00 0.00 C ATOM 0 H ILE A 45 9.027 -2.805 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 45 11.389 -2.410 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 45 8.779 -0.839 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.539 -2.899 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.946 -3.451 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.420 -0.169 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.591 0.410 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.981 -1.001 -4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.126 -3.290 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.885 -2.127 -2.813 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.487 -1.566 -4.391 1.00 0.00 H new ATOM 738 N LEU A 46 10.838 -0.287 0.344 1.00 0.00 N ATOM 739 CA LEU A 46 11.400 0.859 1.036 1.00 0.00 C ATOM 740 C LEU A 46 12.550 0.439 1.943 1.00 0.00 C ATOM 741 O LEU A 46 13.210 1.280 2.554 1.00 0.00 O ATOM 742 CB LEU A 46 10.319 1.592 1.835 1.00 0.00 C ATOM 743 CG LEU A 46 9.107 2.058 1.019 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.459 3.265 1.677 1.00 0.00 C ATOM 745 CD2 LEU A 46 9.509 2.385 -0.415 1.00 0.00 C ATOM 0 H LEU A 46 10.120 -0.792 0.863 1.00 0.00 H new ATOM 0 HA LEU A 46 11.796 1.545 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.970 0.935 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.770 2.461 2.314 1.00 0.00 H new ATOM 0 HG LEU A 46 8.382 1.244 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.600 3.584 1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.130 2.999 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.182 4.079 1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.632 2.713 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.255 3.180 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.928 1.496 -0.887 1.00 0.00 H new ATOM 757 N LYS A 47 12.805 -0.865 2.006 1.00 0.00 N ATOM 758 CA LYS A 47 13.895 -1.390 2.811 1.00 0.00 C ATOM 759 C LYS A 47 15.142 -1.537 1.948 1.00 0.00 C ATOM 760 O LYS A 47 16.266 -1.543 2.451 1.00 0.00 O ATOM 761 CB LYS A 47 13.511 -2.741 3.417 1.00 0.00 C ATOM 762 CG LYS A 47 12.613 -2.627 4.638 1.00 0.00 C ATOM 763 CD LYS A 47 11.629 -3.782 4.715 1.00 0.00 C ATOM 764 CE LYS A 47 11.357 -4.187 6.155 1.00 0.00 C ATOM 765 NZ LYS A 47 10.135 -5.029 6.274 1.00 0.00 N ATOM 0 H LYS A 47 12.269 -1.575 1.507 1.00 0.00 H new ATOM 0 HA LYS A 47 14.100 -0.695 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.005 -3.339 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.419 -3.277 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.224 -2.608 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.067 -1.684 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.694 -3.497 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.024 -4.636 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.215 -4.735 6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.243 -3.293 6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.985 -5.284 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.312 -4.498 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.253 -5.894 5.710 1.00 0.00 H new ATOM 779 N GLU A 48 14.929 -1.648 0.638 1.00 0.00 N ATOM 780 CA GLU A 48 16.023 -1.788 -0.311 1.00 0.00 C ATOM 781 C GLU A 48 16.595 -0.420 -0.685 1.00 0.00 C ATOM 782 O GLU A 48 15.879 0.431 -1.214 1.00 0.00 O ATOM 783 CB GLU A 48 15.523 -2.497 -1.565 1.00 0.00 C ATOM 784 CG GLU A 48 15.416 -4.005 -1.411 1.00 0.00 C ATOM 785 CD GLU A 48 14.394 -4.417 -0.369 1.00 0.00 C ATOM 786 OE1 GLU A 48 14.654 -4.204 0.834 1.00 0.00 O ATOM 787 OE2 GLU A 48 13.336 -4.955 -0.756 1.00 0.00 O ATOM 0 H GLU A 48 14.002 -1.643 0.212 1.00 0.00 H new ATOM 0 HA GLU A 48 16.814 -2.377 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.545 -2.097 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.196 -2.272 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.148 -4.446 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.391 -4.408 -1.137 1.00 0.00 H new ATOM 794 N PRO A 49 17.892 -0.186 -0.418 1.00 0.00 N ATOM 795 CA PRO A 49 18.542 1.091 -0.735 1.00 0.00 C ATOM 796 C PRO A 49 18.456 1.442 -2.219 1.00 0.00 C ATOM 797 O PRO A 49 18.641 2.596 -2.604 1.00 0.00 O ATOM 798 CB PRO A 49 20.003 0.869 -0.327 1.00 0.00 C ATOM 799 CG PRO A 49 19.965 -0.260 0.643 1.00 0.00 C ATOM 800 CD PRO A 49 18.825 -1.137 0.211 1.00 0.00 C ATOM 0 HA PRO A 49 18.062 1.921 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.622 0.626 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.427 1.765 0.127 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.905 -0.811 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.814 0.104 1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 19.151 -1.906 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 49 18.368 -1.650 1.057 1.00 0.00 H new ATOM 808 N LYS A 50 18.177 0.441 -3.051 1.00 0.00 N ATOM 809 CA LYS A 50 18.075 0.652 -4.491 1.00 0.00 C ATOM 810 C LYS A 50 16.683 1.143 -4.879 1.00 0.00 C ATOM 811 O LYS A 50 16.523 1.860 -5.867 1.00 0.00 O ATOM 812 CB LYS A 50 18.397 -0.643 -5.239 1.00 0.00 C ATOM 813 CG LYS A 50 19.826 -1.120 -5.042 1.00 0.00 C ATOM 814 CD LYS A 50 19.919 -2.636 -5.092 1.00 0.00 C ATOM 815 CE LYS A 50 21.220 -3.093 -5.730 1.00 0.00 C ATOM 816 NZ LYS A 50 21.052 -3.401 -7.178 1.00 0.00 N ATOM 0 H LYS A 50 18.018 -0.521 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 50 18.798 1.418 -4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.713 -1.424 -4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.217 -0.492 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.464 -0.690 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.201 -0.763 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.846 -3.040 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.076 -3.035 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.975 -2.317 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.587 -3.978 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.962 -3.709 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.350 -4.160 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.726 -2.550 -7.679 1.00 0.00 H new ATOM 830 N MET A 51 15.679 0.753 -4.100 1.00 0.00 N ATOM 831 CA MET A 51 14.302 1.157 -4.371 1.00 0.00 C ATOM 832 C MET A 51 13.679 1.847 -3.162 1.00 0.00 C ATOM 833 O MET A 51 12.456 1.915 -3.039 1.00 0.00 O ATOM 834 CB MET A 51 13.464 -0.057 -4.775 1.00 0.00 C ATOM 835 CG MET A 51 13.735 -1.287 -3.930 1.00 0.00 C ATOM 836 SD MET A 51 13.052 -2.793 -4.644 1.00 0.00 S ATOM 837 CE MET A 51 12.785 -3.762 -3.163 1.00 0.00 C ATOM 0 H MET A 51 15.791 0.159 -3.278 1.00 0.00 H new ATOM 0 HA MET A 51 14.318 1.870 -5.195 1.00 0.00 H new ATOM 0 HB2 MET A 51 12.407 0.200 -4.700 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.662 -0.293 -5.821 1.00 0.00 H new ATOM 0 HG2 MET A 51 14.811 -1.406 -3.805 1.00 0.00 H new ATOM 0 HG3 MET A 51 13.313 -1.139 -2.936 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.408 -4.656 -3.196 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.048 -3.169 -2.287 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.736 -4.052 -3.102 1.00 0.00 H new ATOM 847 N ALA A 52 14.523 2.367 -2.276 1.00 0.00 N ATOM 848 CA ALA A 52 14.049 3.061 -1.087 1.00 0.00 C ATOM 849 C ALA A 52 14.303 4.557 -1.205 1.00 0.00 C ATOM 850 O ALA A 52 13.510 5.373 -0.735 1.00 0.00 O ATOM 851 CB ALA A 52 14.722 2.504 0.159 1.00 0.00 C ATOM 0 H ALA A 52 15.538 2.320 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 52 12.974 2.900 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.356 3.034 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.492 1.443 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.801 2.635 0.079 1.00 0.00 H new ATOM 857 N ALA A 53 15.412 4.910 -1.844 1.00 0.00 N ATOM 858 CA ALA A 53 15.771 6.307 -2.037 1.00 0.00 C ATOM 859 C ALA A 53 14.932 6.929 -3.147 1.00 0.00 C ATOM 860 O ALA A 53 14.653 8.127 -3.130 1.00 0.00 O ATOM 861 CB ALA A 53 17.253 6.433 -2.356 1.00 0.00 C ATOM 0 H ALA A 53 16.078 4.246 -2.237 1.00 0.00 H new ATOM 0 HA ALA A 53 15.568 6.846 -1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.507 7.484 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.839 6.026 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.477 5.879 -3.268 1.00 0.00 H new ATOM 867 N SER A 54 14.529 6.105 -4.109 1.00 0.00 N ATOM 868 CA SER A 54 13.717 6.573 -5.226 1.00 0.00 C ATOM 869 C SER A 54 12.285 6.844 -4.779 1.00 0.00 C ATOM 870 O SER A 54 11.599 7.695 -5.344 1.00 0.00 O ATOM 871 CB SER A 54 13.726 5.544 -6.353 1.00 0.00 C ATOM 872 OG SER A 54 13.886 6.168 -7.615 1.00 0.00 O ATOM 0 H SER A 54 14.752 5.110 -4.137 1.00 0.00 H new ATOM 0 HA SER A 54 14.147 7.506 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.535 4.831 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.795 4.978 -6.340 1.00 0.00 H new ATOM 0 HG SER A 54 13.890 5.486 -8.319 1.00 0.00 H new ATOM 878 N LEU A 55 11.840 6.119 -3.756 1.00 0.00 N ATOM 879 CA LEU A 55 10.491 6.291 -3.229 1.00 0.00 C ATOM 880 C LEU A 55 10.484 7.300 -2.084 1.00 0.00 C ATOM 881 O LEU A 55 9.626 7.253 -1.204 1.00 0.00 O ATOM 882 CB LEU A 55 9.932 4.950 -2.749 1.00 0.00 C ATOM 883 CG LEU A 55 9.277 4.099 -3.838 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.272 3.096 -4.401 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.049 3.385 -3.293 1.00 0.00 C ATOM 0 H LEU A 55 12.393 5.408 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 55 9.858 6.671 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.741 4.376 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.199 5.138 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 55 8.959 4.759 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.789 2.499 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.121 3.628 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.620 2.441 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.597 2.785 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.342 2.737 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.327 4.121 -2.939 1.00 0.00 H new ATOM 897 N LEU A 56 11.452 8.211 -2.107 1.00 0.00 N ATOM 898 CA LEU A 56 11.570 9.235 -1.078 1.00 0.00 C ATOM 899 C LEU A 56 12.320 10.457 -1.605 1.00 0.00 C ATOM 900 O LEU A 56 12.032 11.588 -1.215 1.00 0.00 O ATOM 901 CB LEU A 56 12.288 8.671 0.151 1.00 0.00 C ATOM 902 CG LEU A 56 12.611 9.694 1.243 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.595 9.034 2.613 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.960 10.348 0.978 1.00 0.00 C ATOM 0 H LEU A 56 12.169 8.260 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 56 10.565 9.546 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.670 7.884 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.218 8.204 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 56 11.845 10.469 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.827 9.776 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.607 8.614 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.340 8.238 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.174 11.072 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.738 9.585 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.935 10.856 0.014 1.00 0.00 H new ATOM 916 N ASN A 57 13.290 10.224 -2.490 1.00 0.00 N ATOM 917 CA ASN A 57 14.078 11.312 -3.061 1.00 0.00 C ATOM 918 C ASN A 57 13.182 12.330 -3.763 1.00 0.00 C ATOM 919 O ASN A 57 12.071 12.009 -4.178 1.00 0.00 O ATOM 920 CB ASN A 57 15.111 10.759 -4.043 1.00 0.00 C ATOM 921 CG ASN A 57 16.423 10.407 -3.368 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.339 9.832 -2.174 1.00 0.00 O flip ATOM 923 ND2 ASN A 57 17.499 10.649 -3.913 1.00 0.00 N flip ATOM 0 H ASN A 57 13.547 9.295 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 57 14.595 11.817 -2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.707 9.871 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.295 11.495 -4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.517 11.092 -4.831 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.373 10.406 -3.446 1.00 0.00 H new ATOM 930 N PRO A 58 13.657 13.581 -3.901 1.00 0.00 N ATOM 931 CA PRO A 58 12.893 14.655 -4.552 1.00 0.00 C ATOM 932 C PRO A 58 12.475 14.307 -5.979 1.00 0.00 C ATOM 933 O PRO A 58 11.570 14.927 -6.537 1.00 0.00 O ATOM 934 CB PRO A 58 13.869 15.837 -4.559 1.00 0.00 C ATOM 935 CG PRO A 58 14.837 15.544 -3.466 1.00 0.00 C ATOM 936 CD PRO A 58 14.972 14.049 -3.428 1.00 0.00 C ATOM 0 HA PRO A 58 11.959 14.853 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.375 15.926 -5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.349 16.779 -4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.799 16.019 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.477 15.928 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.779 13.701 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.190 13.690 -2.422 1.00 0.00 H new ATOM 944 N TYR A 59 13.138 13.317 -6.567 1.00 0.00 N ATOM 945 CA TYR A 59 12.832 12.895 -7.931 1.00 0.00 C ATOM 946 C TYR A 59 11.672 11.902 -7.959 1.00 0.00 C ATOM 947 O TYR A 59 11.102 11.631 -9.017 1.00 0.00 O ATOM 948 CB TYR A 59 14.067 12.269 -8.581 1.00 0.00 C ATOM 949 CG TYR A 59 15.323 13.094 -8.413 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.032 13.076 -7.219 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.797 13.891 -9.447 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.180 13.831 -7.060 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.943 14.647 -9.296 1.00 0.00 C ATOM 954 CZ TYR A 59 17.630 14.614 -8.101 1.00 0.00 C ATOM 955 OH TYR A 59 18.772 15.365 -7.947 1.00 0.00 O ATOM 0 H TYR A 59 13.890 12.792 -6.122 1.00 0.00 H new ATOM 0 HA TYR A 59 12.536 13.780 -8.495 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.231 11.281 -8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.875 12.127 -9.645 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.682 12.463 -6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.261 13.920 -10.384 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.721 13.807 -6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.299 15.261 -10.110 1.00 0.00 H new ATOM 0 HH TYR A 59 18.953 15.859 -8.774 1.00 0.00 H new ATOM 965 N VAL A 60 11.325 11.359 -6.795 1.00 0.00 N ATOM 966 CA VAL A 60 10.234 10.396 -6.691 1.00 0.00 C ATOM 967 C VAL A 60 8.968 10.914 -7.371 1.00 0.00 C ATOM 968 O VAL A 60 8.253 10.158 -8.028 1.00 0.00 O ATOM 969 CB VAL A 60 9.922 10.071 -5.218 1.00 0.00 C ATOM 970 CG1 VAL A 60 9.482 11.322 -4.475 1.00 0.00 C ATOM 971 CG2 VAL A 60 8.866 8.980 -5.119 1.00 0.00 C ATOM 0 H VAL A 60 11.785 11.570 -5.909 1.00 0.00 H new ATOM 0 HA VAL A 60 10.561 9.488 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 60 10.833 9.701 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.266 11.071 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.278 12.066 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.586 11.727 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.661 8.766 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.950 9.314 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.229 8.077 -5.609 1.00 0.00 H new ATOM 981 N LYS A 61 8.700 12.206 -7.208 1.00 0.00 N ATOM 982 CA LYS A 61 7.522 12.825 -7.806 1.00 0.00 C ATOM 983 C LYS A 61 6.241 12.196 -7.267 1.00 0.00 C ATOM 984 O LYS A 61 6.211 11.011 -6.935 1.00 0.00 O ATOM 985 CB LYS A 61 7.567 12.693 -9.330 1.00 0.00 C ATOM 986 CG LYS A 61 8.371 13.787 -10.012 1.00 0.00 C ATOM 987 CD LYS A 61 7.542 15.045 -10.214 1.00 0.00 C ATOM 988 CE LYS A 61 8.078 15.889 -11.358 1.00 0.00 C ATOM 989 NZ LYS A 61 9.559 16.033 -11.294 1.00 0.00 N ATOM 0 H LYS A 61 9.283 12.845 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 61 7.525 13.882 -7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.994 11.724 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.548 12.707 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.250 14.022 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.730 13.428 -10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.507 14.771 -10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.542 15.633 -9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.798 15.433 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.616 16.876 -11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.863 16.783 -11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.842 16.282 -10.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.007 15.135 -11.565 1.00 0.00 H new ATOM 1003 N ARG A 62 5.182 12.996 -7.185 1.00 0.00 N ATOM 1004 CA ARG A 62 3.898 12.514 -6.688 1.00 0.00 C ATOM 1005 C ARG A 62 2.971 12.143 -7.844 1.00 0.00 C ATOM 1006 O ARG A 62 1.749 12.139 -7.695 1.00 0.00 O ATOM 1007 CB ARG A 62 3.238 13.575 -5.804 1.00 0.00 C ATOM 1008 CG ARG A 62 2.787 14.813 -6.566 1.00 0.00 C ATOM 1009 CD ARG A 62 1.278 14.840 -6.748 1.00 0.00 C ATOM 1010 NE ARG A 62 0.635 15.798 -5.851 1.00 0.00 N ATOM 1011 CZ ARG A 62 -0.669 16.063 -5.861 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -1.473 15.446 -6.718 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -1.172 16.948 -5.011 1.00 0.00 N ATOM 0 H ARG A 62 5.188 13.979 -7.456 1.00 0.00 H new ATOM 0 HA ARG A 62 4.079 11.619 -6.092 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.376 13.133 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.940 13.874 -5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.105 15.707 -6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.272 14.837 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.042 15.096 -7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.873 13.845 -6.566 1.00 0.00 H new ATOM 0 HE ARG A 62 1.220 16.293 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.092 14.764 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.472 15.654 -6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.559 17.425 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.172 17.151 -5.018 1.00 0.00 H new ATOM 1027 N SER A 63 3.561 11.831 -8.993 1.00 0.00 N ATOM 1028 CA SER A 63 2.789 11.458 -10.173 1.00 0.00 C ATOM 1029 C SER A 63 3.578 10.491 -11.049 1.00 0.00 C ATOM 1030 O SER A 63 3.055 9.468 -11.490 1.00 0.00 O ATOM 1031 CB SER A 63 2.413 12.703 -10.978 1.00 0.00 C ATOM 1032 OG SER A 63 1.327 12.438 -11.850 1.00 0.00 O ATOM 0 H SER A 63 4.571 11.829 -9.132 1.00 0.00 H new ATOM 0 HA SER A 63 1.877 10.962 -9.841 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.148 13.513 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.274 13.040 -11.556 1.00 0.00 H new ATOM 0 HG SER A 63 1.105 13.250 -12.352 1.00 0.00 H new ATOM 1038 N VAL A 64 4.842 10.821 -11.292 1.00 0.00 N ATOM 1039 CA VAL A 64 5.707 9.980 -12.111 1.00 0.00 C ATOM 1040 C VAL A 64 5.846 8.590 -11.503 1.00 0.00 C ATOM 1041 O VAL A 64 5.697 7.582 -12.195 1.00 0.00 O ATOM 1042 CB VAL A 64 7.106 10.602 -12.271 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.939 9.804 -13.263 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.997 12.057 -12.706 1.00 0.00 C ATOM 0 H VAL A 64 5.290 11.664 -10.934 1.00 0.00 H new ATOM 0 HA VAL A 64 5.241 9.902 -13.093 1.00 0.00 H new ATOM 0 HB VAL A 64 7.608 10.571 -11.304 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.924 10.261 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.048 8.780 -12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.443 9.799 -14.234 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.996 12.480 -12.814 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.474 12.113 -13.661 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.443 12.621 -11.955 1.00 0.00 H new ATOM 1054 N LYS A 65 6.126 8.543 -10.205 1.00 0.00 N ATOM 1055 CA LYS A 65 6.278 7.273 -9.505 1.00 0.00 C ATOM 1056 C LYS A 65 5.008 6.438 -9.621 1.00 0.00 C ATOM 1057 O LYS A 65 5.059 5.208 -9.615 1.00 0.00 O ATOM 1058 CB LYS A 65 6.616 7.517 -8.032 1.00 0.00 C ATOM 1059 CG LYS A 65 7.940 6.907 -7.601 1.00 0.00 C ATOM 1060 CD LYS A 65 7.976 5.408 -7.859 1.00 0.00 C ATOM 1061 CE LYS A 65 9.393 4.921 -8.114 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.445 3.918 -9.214 1.00 0.00 N ATOM 0 H LYS A 65 6.252 9.367 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 65 7.096 6.722 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.643 8.591 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.818 7.107 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.756 7.389 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.101 7.098 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.557 4.880 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.348 5.170 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.029 5.770 -8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.796 4.481 -7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.428 3.611 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.858 3.097 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.085 4.346 -10.091 1.00 0.00 H new ATOM 1076 N VAL A 66 3.868 7.115 -9.730 1.00 0.00 N ATOM 1077 CA VAL A 66 2.586 6.435 -9.851 1.00 0.00 C ATOM 1078 C VAL A 66 2.542 5.579 -11.112 1.00 0.00 C ATOM 1079 O VAL A 66 2.059 4.447 -11.090 1.00 0.00 O ATOM 1080 CB VAL A 66 1.415 7.437 -9.878 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.079 6.706 -9.897 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.493 8.382 -8.688 1.00 0.00 C ATOM 0 H VAL A 66 3.808 8.133 -9.737 1.00 0.00 H new ATOM 0 HA VAL A 66 2.480 5.796 -8.975 1.00 0.00 H new ATOM 0 HB VAL A 66 1.492 8.027 -10.791 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.733 7.433 -9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.022 6.075 -10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.009 6.086 -9.005 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.658 9.082 -8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.445 7.807 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.432 8.935 -8.723 1.00 0.00 H new ATOM 1092 N LYS A 67 3.054 6.125 -12.212 1.00 0.00 N ATOM 1093 CA LYS A 67 3.075 5.403 -13.479 1.00 0.00 C ATOM 1094 C LYS A 67 3.959 4.167 -13.375 1.00 0.00 C ATOM 1095 O LYS A 67 3.525 3.053 -13.669 1.00 0.00 O ATOM 1096 CB LYS A 67 3.572 6.311 -14.604 1.00 0.00 C ATOM 1097 CG LYS A 67 2.479 7.165 -15.225 1.00 0.00 C ATOM 1098 CD LYS A 67 2.285 8.464 -14.462 1.00 0.00 C ATOM 1099 CE LYS A 67 0.898 9.044 -14.692 1.00 0.00 C ATOM 1100 NZ LYS A 67 0.899 10.532 -14.627 1.00 0.00 N ATOM 0 H LYS A 67 3.458 7.061 -12.251 1.00 0.00 H new ATOM 0 HA LYS A 67 2.058 5.086 -13.709 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.354 6.963 -14.215 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.027 5.697 -15.381 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.733 7.386 -16.262 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.543 6.607 -15.238 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.435 8.287 -13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.039 9.187 -14.774 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.528 8.724 -15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.211 8.649 -13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.065 10.887 -14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.228 10.838 -13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.535 10.911 -15.358 1.00 0.00 H new ATOM 1114 N SER A 68 5.200 4.369 -12.944 1.00 0.00 N ATOM 1115 CA SER A 68 6.141 3.267 -12.792 1.00 0.00 C ATOM 1116 C SER A 68 5.630 2.266 -11.761 1.00 0.00 C ATOM 1117 O SER A 68 5.975 1.085 -11.803 1.00 0.00 O ATOM 1118 CB SER A 68 7.515 3.794 -12.372 1.00 0.00 C ATOM 1119 OG SER A 68 8.388 2.731 -12.034 1.00 0.00 O ATOM 0 H SER A 68 5.576 5.284 -12.695 1.00 0.00 H new ATOM 0 HA SER A 68 6.235 2.762 -13.753 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.947 4.379 -13.184 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.406 4.464 -11.519 1.00 0.00 H new ATOM 0 HG SER A 68 9.259 3.094 -11.771 1.00 0.00 H new ATOM 1125 N LEU A 69 4.800 2.747 -10.839 1.00 0.00 N ATOM 1126 CA LEU A 69 4.236 1.897 -9.798 1.00 0.00 C ATOM 1127 C LEU A 69 3.264 0.883 -10.392 1.00 0.00 C ATOM 1128 O LEU A 69 3.211 -0.269 -9.963 1.00 0.00 O ATOM 1129 CB LEU A 69 3.524 2.750 -8.744 1.00 0.00 C ATOM 1130 CG LEU A 69 4.220 2.812 -7.385 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.556 3.529 -7.501 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.330 3.501 -6.362 1.00 0.00 C ATOM 0 H LEU A 69 4.504 3.722 -10.793 1.00 0.00 H new ATOM 0 HA LEU A 69 5.053 1.354 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.421 3.765 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.517 2.359 -8.602 1.00 0.00 H new ATOM 0 HG LEU A 69 4.407 1.793 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.037 3.563 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.197 2.994 -8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.394 4.545 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.841 3.536 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.112 4.516 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.398 2.945 -6.257 1.00 0.00 H new ATOM 1144 N SER A 70 2.491 1.323 -11.381 1.00 0.00 N ATOM 1145 CA SER A 70 1.515 0.457 -12.031 1.00 0.00 C ATOM 1146 C SER A 70 2.196 -0.581 -12.913 1.00 0.00 C ATOM 1147 O SER A 70 1.677 -1.680 -13.104 1.00 0.00 O ATOM 1148 CB SER A 70 0.534 1.289 -12.860 1.00 0.00 C ATOM 1149 OG SER A 70 -0.609 1.638 -12.099 1.00 0.00 O ATOM 0 H SER A 70 2.522 2.274 -11.749 1.00 0.00 H new ATOM 0 HA SER A 70 0.965 -0.070 -11.251 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.029 2.193 -13.215 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.229 0.726 -13.742 1.00 0.00 H new ATOM 0 HG SER A 70 -1.219 2.171 -12.651 1.00 0.00 H new ATOM 1155 N ASP A 71 3.363 -0.237 -13.441 1.00 0.00 N ATOM 1156 CA ASP A 71 4.107 -1.157 -14.288 1.00 0.00 C ATOM 1157 C ASP A 71 5.027 -2.014 -13.438 1.00 0.00 C ATOM 1158 O ASP A 71 5.216 -3.201 -13.708 1.00 0.00 O ATOM 1159 CB ASP A 71 4.913 -0.394 -15.341 1.00 0.00 C ATOM 1160 CG ASP A 71 4.066 0.023 -16.527 1.00 0.00 C ATOM 1161 OD1 ASP A 71 3.263 0.968 -16.380 1.00 0.00 O ATOM 1162 OD2 ASP A 71 4.205 -0.596 -17.603 1.00 0.00 O ATOM 0 H ASP A 71 3.812 0.668 -13.298 1.00 0.00 H new ATOM 0 HA ASP A 71 3.398 -1.803 -14.806 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.355 0.492 -14.885 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.736 -1.019 -15.688 1.00 0.00 H new ATOM 1167 N MET A 72 5.579 -1.413 -12.392 1.00 0.00 N ATOM 1168 CA MET A 72 6.455 -2.136 -11.488 1.00 0.00 C ATOM 1169 C MET A 72 5.634 -3.060 -10.604 1.00 0.00 C ATOM 1170 O MET A 72 6.145 -4.065 -10.108 1.00 0.00 O ATOM 1171 CB MET A 72 7.284 -1.165 -10.638 1.00 0.00 C ATOM 1172 CG MET A 72 6.522 -0.558 -9.471 1.00 0.00 C ATOM 1173 SD MET A 72 6.780 -1.455 -7.929 1.00 0.00 S ATOM 1174 CE MET A 72 5.570 -0.666 -6.871 1.00 0.00 C ATOM 0 H MET A 72 5.435 -0.432 -12.152 1.00 0.00 H new ATOM 0 HA MET A 72 7.148 -2.737 -12.077 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.158 -1.690 -10.254 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.650 -0.361 -11.277 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.832 0.479 -9.340 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.458 -0.545 -9.705 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.495 -1.215 -5.932 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.878 0.360 -6.668 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.600 -0.662 -7.368 1.00 0.00 H new ATOM 1184 N THR A 73 4.352 -2.738 -10.424 1.00 0.00 N ATOM 1185 CA THR A 73 3.495 -3.583 -9.615 1.00 0.00 C ATOM 1186 C THR A 73 3.385 -4.955 -10.251 1.00 0.00 C ATOM 1187 O THR A 73 3.251 -5.964 -9.558 1.00 0.00 O ATOM 1188 CB THR A 73 2.105 -2.990 -9.435 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.358 -3.806 -8.564 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.312 -2.879 -10.709 1.00 0.00 C ATOM 0 H THR A 73 3.899 -1.915 -10.821 1.00 0.00 H new ATOM 0 HA THR A 73 3.949 -3.661 -8.627 1.00 0.00 H new ATOM 0 HB THR A 73 2.267 -1.985 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.837 -3.902 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.335 -2.447 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.843 -2.239 -11.414 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.183 -3.870 -11.145 1.00 0.00 H new ATOM 1198 N ALA A 74 3.463 -4.992 -11.582 1.00 0.00 N ATOM 1199 CA ALA A 74 3.396 -6.254 -12.302 1.00 0.00 C ATOM 1200 C ALA A 74 4.357 -7.262 -11.684 1.00 0.00 C ATOM 1201 O ALA A 74 4.143 -8.472 -11.766 1.00 0.00 O ATOM 1202 CB ALA A 74 3.715 -6.043 -13.774 1.00 0.00 C ATOM 0 H ALA A 74 3.572 -4.169 -12.174 1.00 0.00 H new ATOM 0 HA ALA A 74 2.383 -6.648 -12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.661 -6.997 -14.298 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.994 -5.349 -14.207 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.719 -5.631 -13.873 1.00 0.00 H new ATOM 1208 N LYS A 75 5.420 -6.751 -11.059 1.00 0.00 N ATOM 1209 CA LYS A 75 6.411 -7.607 -10.425 1.00 0.00 C ATOM 1210 C LYS A 75 6.203 -7.695 -8.913 1.00 0.00 C ATOM 1211 O LYS A 75 6.691 -8.626 -8.273 1.00 0.00 O ATOM 1212 CB LYS A 75 7.822 -7.101 -10.732 1.00 0.00 C ATOM 1213 CG LYS A 75 8.448 -7.747 -11.956 1.00 0.00 C ATOM 1214 CD LYS A 75 9.216 -9.007 -11.590 1.00 0.00 C ATOM 1215 CE LYS A 75 9.444 -9.893 -12.804 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.711 -10.667 -12.697 1.00 0.00 N ATOM 0 H LYS A 75 5.612 -5.752 -10.981 1.00 0.00 H new ATOM 0 HA LYS A 75 6.289 -8.609 -10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.788 -6.022 -10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.461 -7.285 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.669 -7.991 -12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.120 -7.038 -12.440 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.176 -8.735 -11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.665 -9.563 -10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.606 -10.582 -12.913 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.470 -9.277 -13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.829 -11.258 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.513 -10.010 -12.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.677 -11.274 -11.853 1.00 0.00 H new ATOM 1230 N GLU A 76 5.482 -6.733 -8.338 1.00 0.00 N ATOM 1231 CA GLU A 76 5.234 -6.741 -6.902 1.00 0.00 C ATOM 1232 C GLU A 76 4.142 -7.744 -6.546 1.00 0.00 C ATOM 1233 O GLU A 76 4.390 -8.702 -5.814 1.00 0.00 O ATOM 1234 CB GLU A 76 4.840 -5.344 -6.417 1.00 0.00 C ATOM 1235 CG GLU A 76 5.987 -4.573 -5.783 1.00 0.00 C ATOM 1236 CD GLU A 76 7.211 -4.506 -6.677 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.068 -4.730 -7.897 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.312 -4.230 -6.155 1.00 0.00 O ATOM 0 H GLU A 76 5.065 -5.949 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 76 6.156 -7.040 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.451 -4.772 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.030 -5.435 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.655 -3.561 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.258 -5.044 -4.838 1.00 0.00 H new ATOM 1245 N LYS A 77 2.939 -7.516 -7.076 1.00 0.00 N ATOM 1246 CA LYS A 77 1.788 -8.393 -6.830 1.00 0.00 C ATOM 1247 C LYS A 77 0.470 -7.642 -7.027 1.00 0.00 C ATOM 1248 O LYS A 77 -0.530 -8.229 -7.438 1.00 0.00 O ATOM 1249 CB LYS A 77 1.825 -8.978 -5.412 1.00 0.00 C ATOM 1250 CG LYS A 77 2.330 -10.410 -5.356 1.00 0.00 C ATOM 1251 CD LYS A 77 1.209 -11.406 -5.608 1.00 0.00 C ATOM 1252 CE LYS A 77 1.698 -12.605 -6.403 1.00 0.00 C ATOM 1253 NZ LYS A 77 1.513 -12.414 -7.867 1.00 0.00 N ATOM 0 H LYS A 77 2.734 -6.724 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 77 1.849 -9.207 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.462 -8.353 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.823 -8.938 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.116 -10.549 -6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.776 -10.602 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.799 -11.742 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.400 -10.915 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.753 -12.776 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.160 -13.497 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.859 -13.254 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.503 -12.276 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.047 -11.578 -8.178 1.00 0.00 H new ATOM 1267 N PHE A 78 0.473 -6.348 -6.709 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.724 -5.518 -6.828 1.00 0.00 C ATOM 1269 C PHE A 78 -1.416 -5.683 -8.158 1.00 0.00 C ATOM 1270 O PHE A 78 -1.000 -6.466 -9.012 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.396 -4.037 -6.661 1.00 0.00 C ATOM 1272 CG PHE A 78 0.725 -3.778 -5.716 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.744 -4.386 -4.478 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.769 -2.951 -6.079 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.793 -4.168 -3.613 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.824 -2.732 -5.221 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.838 -3.342 -3.984 1.00 0.00 C ATOM 0 H PHE A 78 1.295 -5.851 -6.366 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.387 -5.856 -6.032 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.144 -3.617 -7.635 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.285 -3.514 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.068 -5.036 -4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.758 -2.471 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.800 -4.643 -2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.637 -2.085 -5.516 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.663 -3.175 -3.307 1.00 0.00 H new ATOM 1287 N SER A 79 -2.468 -4.890 -8.311 1.00 0.00 N ATOM 1288 CA SER A 79 -3.277 -4.853 -9.519 1.00 0.00 C ATOM 1289 C SER A 79 -4.760 -4.807 -9.179 1.00 0.00 C ATOM 1290 O SER A 79 -5.527 -4.099 -9.831 1.00 0.00 O ATOM 1291 CB SER A 79 -3.000 -6.047 -10.441 1.00 0.00 C ATOM 1292 OG SER A 79 -3.988 -6.149 -11.453 1.00 0.00 O ATOM 0 H SER A 79 -2.787 -4.245 -7.588 1.00 0.00 H new ATOM 0 HA SER A 79 -2.998 -3.944 -10.051 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.017 -5.937 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.979 -6.966 -9.855 1.00 0.00 H new ATOM 0 HG SER A 79 -3.789 -6.917 -12.029 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.211 -5.599 -8.192 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.605 -5.663 -7.828 1.00 0.00 C ATOM 1300 C PRO A 80 -6.985 -4.873 -6.580 1.00 0.00 C ATOM 1301 O PRO A 80 -7.767 -3.926 -6.668 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.787 -7.161 -7.602 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.443 -7.654 -7.130 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.435 -6.552 -7.398 1.00 0.00 C ATOM 0 HA PRO A 80 -7.243 -5.216 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.561 -7.356 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.091 -7.664 -8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.474 -7.895 -6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.163 -8.567 -7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.067 -6.106 -6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.566 -6.921 -7.942 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.458 -5.248 -5.417 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.798 -4.538 -4.198 1.00 0.00 C ATOM 1314 C LEU A 81 -5.714 -3.543 -3.848 1.00 0.00 C ATOM 1315 O LEU A 81 -5.752 -2.899 -2.799 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.022 -5.515 -3.051 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.244 -6.421 -3.217 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.512 -5.590 -3.334 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.083 -7.315 -4.437 1.00 0.00 C ATOM 0 H LEU A 81 -5.807 -6.024 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.727 -3.992 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.135 -6.139 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.128 -4.950 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.325 -7.053 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.371 -6.251 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.637 -4.989 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.438 -4.934 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.961 -7.952 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.977 -6.698 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.196 -7.937 -4.318 1.00 0.00 H new ATOM 1331 N THR A 82 -4.752 -3.416 -4.746 1.00 0.00 N ATOM 1332 CA THR A 82 -3.657 -2.499 -4.557 1.00 0.00 C ATOM 1333 C THR A 82 -3.479 -1.602 -5.773 1.00 0.00 C ATOM 1334 O THR A 82 -2.608 -0.736 -5.781 1.00 0.00 O ATOM 1335 CB THR A 82 -2.375 -3.257 -4.273 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.632 -4.636 -4.068 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.655 -2.733 -3.055 1.00 0.00 C ATOM 0 H THR A 82 -4.714 -3.944 -5.618 1.00 0.00 H new ATOM 0 HA THR A 82 -3.891 -1.868 -3.700 1.00 0.00 H new ATOM 0 HB THR A 82 -1.744 -3.113 -5.150 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.930 -5.042 -4.909 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.744 -3.309 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.399 -1.684 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.301 -2.826 -2.182 1.00 0.00 H new ATOM 1345 N SER A 83 -4.313 -1.787 -6.800 1.00 0.00 N ATOM 1346 CA SER A 83 -4.213 -0.952 -7.986 1.00 0.00 C ATOM 1347 C SER A 83 -4.988 0.346 -7.785 1.00 0.00 C ATOM 1348 O SER A 83 -5.455 0.973 -8.735 1.00 0.00 O ATOM 1349 CB SER A 83 -4.731 -1.682 -9.222 1.00 0.00 C ATOM 1350 OG SER A 83 -4.832 -0.804 -10.329 1.00 0.00 O ATOM 0 H SER A 83 -5.048 -2.493 -6.830 1.00 0.00 H new ATOM 0 HA SER A 83 -3.160 -0.720 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.062 -2.507 -9.468 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.708 -2.117 -9.009 1.00 0.00 H new ATOM 0 HG SER A 83 -5.329 -0.001 -10.066 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.093 0.737 -6.528 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.772 1.953 -6.122 1.00 0.00 C ATOM 1358 C ASN A 84 -4.987 2.527 -4.967 1.00 0.00 C ATOM 1359 O ASN A 84 -4.660 3.713 -4.934 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.216 1.663 -5.705 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.204 1.924 -6.824 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.926 2.921 -6.811 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.243 1.025 -7.801 1.00 0.00 N ATOM 0 H ASN A 84 -4.702 0.209 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.821 2.661 -6.950 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.298 0.624 -5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.474 2.281 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.889 1.147 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.626 0.213 -7.772 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.629 1.637 -4.046 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.812 2.002 -2.915 1.00 0.00 C ATOM 1372 C LEU A 85 -2.420 2.361 -3.427 1.00 0.00 C ATOM 1373 O LEU A 85 -1.655 3.045 -2.746 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.741 0.842 -1.908 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.549 0.877 -0.945 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -2.663 2.058 0.005 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.453 -0.426 -0.166 1.00 0.00 C ATOM 0 H LEU A 85 -4.899 0.654 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.247 2.858 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.660 0.836 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.711 -0.096 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.638 0.995 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.808 2.065 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.681 2.985 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.582 1.971 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.601 -0.382 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.367 -0.575 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.322 -1.256 -0.860 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.097 1.898 -4.646 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.803 2.184 -5.241 1.00 0.00 C ATOM 1391 C ILE A 86 -0.693 3.666 -5.594 1.00 0.00 C ATOM 1392 O ILE A 86 0.246 4.346 -5.181 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.544 1.309 -6.499 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.466 0.207 -6.176 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.051 2.143 -7.678 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.003 -0.748 -5.102 1.00 0.00 C ATOM 0 H ILE A 86 -2.715 1.330 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.040 1.938 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.493 0.857 -6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.679 -0.357 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.403 0.666 -5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.118 1.494 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.800 2.893 -7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.882 2.639 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.764 -1.502 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.188 -0.196 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.923 -1.235 -5.425 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.664 4.159 -6.357 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.679 5.559 -6.762 1.00 0.00 C ATOM 1410 C ASN A 87 -1.911 6.463 -5.557 1.00 0.00 C ATOM 1411 O ASN A 87 -1.451 7.604 -5.528 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.767 5.797 -7.811 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.758 7.217 -8.340 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.933 8.038 -7.937 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.679 7.516 -9.250 1.00 0.00 N ATOM 0 H ASN A 87 -2.449 3.610 -6.706 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.709 5.800 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.627 5.103 -8.639 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.742 5.581 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.721 8.456 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.343 6.805 -9.556 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.624 5.943 -4.563 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.917 6.701 -3.354 1.00 0.00 C ATOM 1424 C LEU A 88 -1.675 6.826 -2.479 1.00 0.00 C ATOM 1425 O LEU A 88 -1.472 7.845 -1.818 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.048 6.033 -2.568 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.086 6.994 -1.986 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.370 6.252 -1.647 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.531 7.693 -0.752 1.00 0.00 C ATOM 0 H LEU A 88 -3.009 4.999 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.234 7.701 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.557 5.326 -3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.612 5.456 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.315 7.750 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.097 6.952 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.777 5.797 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.158 5.474 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.282 8.373 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.274 6.950 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.639 8.257 -1.024 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.844 5.788 -2.479 1.00 0.00 N ATOM 1442 CA LEU A 89 0.376 5.797 -1.683 1.00 0.00 C ATOM 1443 C LEU A 89 1.392 6.768 -2.273 1.00 0.00 C ATOM 1444 O LEU A 89 2.166 7.391 -1.547 1.00 0.00 O ATOM 1445 CB LEU A 89 0.971 4.391 -1.604 1.00 0.00 C ATOM 1446 CG LEU A 89 0.970 3.779 -0.205 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.997 2.260 -0.282 1.00 0.00 C ATOM 1448 CD2 LEU A 89 2.150 4.300 0.601 1.00 0.00 C ATOM 0 H LEU A 89 -0.993 4.935 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 89 0.126 6.127 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.413 3.736 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.997 4.423 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 89 0.051 4.074 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.996 1.845 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.118 1.907 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.897 1.938 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.136 3.855 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.080 4.035 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.081 5.384 0.688 1.00 0.00 H new ATOM 1460 N ALA A 90 1.375 6.894 -3.594 1.00 0.00 N ATOM 1461 CA ALA A 90 2.288 7.792 -4.289 1.00 0.00 C ATOM 1462 C ALA A 90 1.541 8.989 -4.869 1.00 0.00 C ATOM 1463 O ALA A 90 1.984 9.594 -5.845 1.00 0.00 O ATOM 1464 CB ALA A 90 3.028 7.045 -5.387 1.00 0.00 C ATOM 0 H ALA A 90 0.738 6.385 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 90 3.015 8.165 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.707 7.728 -5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.599 6.226 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.310 6.644 -6.102 1.00 0.00 H new ATOM 1470 N GLU A 91 0.405 9.326 -4.264 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.400 10.452 -4.725 1.00 0.00 C ATOM 1472 C GLU A 91 0.031 11.743 -4.040 1.00 0.00 C ATOM 1473 O GLU A 91 0.258 12.760 -4.696 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.885 10.189 -4.458 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.757 10.317 -5.697 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.015 9.476 -5.612 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.592 9.379 -4.509 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.424 8.915 -6.651 1.00 0.00 O ATOM 0 H GLU A 91 0.022 8.836 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.246 10.562 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.000 9.187 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.239 10.888 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.032 11.362 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.183 10.018 -6.574 1.00 0.00 H new ATOM 1485 N ASN A 92 0.144 11.695 -2.718 1.00 0.00 N ATOM 1486 CA ASN A 92 0.549 12.861 -1.944 1.00 0.00 C ATOM 1487 C ASN A 92 1.989 12.722 -1.459 1.00 0.00 C ATOM 1488 O ASN A 92 2.678 13.717 -1.235 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.388 13.059 -0.750 1.00 0.00 C ATOM 1490 CG ASN A 92 -0.712 14.519 -0.504 1.00 0.00 C ATOM 1491 OD1 ASN A 92 0.154 15.386 -0.619 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -1.964 14.797 -0.164 1.00 0.00 N ATOM 0 H ASN A 92 -0.039 10.861 -2.160 1.00 0.00 H new ATOM 0 HA ASN A 92 0.488 13.734 -2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.313 12.509 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.072 12.637 0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.242 15.762 0.014 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.649 14.046 -0.081 1.00 0.00 H new ATOM 1499 N GLY A 93 2.436 11.481 -1.297 1.00 0.00 N ATOM 1500 CA GLY A 93 3.791 11.234 -0.838 1.00 0.00 C ATOM 1501 C GLY A 93 3.826 10.498 0.486 1.00 0.00 C ATOM 1502 O GLY A 93 4.550 10.887 1.401 1.00 0.00 O ATOM 0 H GLY A 93 1.884 10.642 -1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.326 10.652 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.317 12.184 -0.737 1.00 0.00 H new ATOM 1506 N ARG A 94 3.039 9.431 0.587 1.00 0.00 N ATOM 1507 CA ARG A 94 2.980 8.639 1.809 1.00 0.00 C ATOM 1508 C ARG A 94 3.873 7.408 1.707 1.00 0.00 C ATOM 1509 O ARG A 94 3.599 6.377 2.323 1.00 0.00 O ATOM 1510 CB ARG A 94 1.539 8.215 2.097 1.00 0.00 C ATOM 1511 CG ARG A 94 1.313 7.764 3.531 1.00 0.00 C ATOM 1512 CD ARG A 94 0.755 8.889 4.387 1.00 0.00 C ATOM 1513 NE ARG A 94 1.809 9.759 4.903 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.635 10.624 5.899 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.452 10.738 6.490 1.00 0.00 N ATOM 1516 NH2 ARG A 94 2.647 11.378 6.307 1.00 0.00 N ATOM 0 H ARG A 94 2.434 9.096 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 94 3.341 9.259 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.873 9.049 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.266 7.404 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.624 6.920 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.254 7.414 3.956 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.054 9.480 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.194 8.466 5.220 1.00 0.00 H new ATOM 0 HE ARG A 94 2.733 9.700 4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.330 10.161 6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.325 11.403 7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.559 11.295 5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.514 12.041 7.070 1.00 0.00 H new ATOM 1530 N LEU A 95 4.946 7.519 0.928 1.00 0.00 N ATOM 1531 CA LEU A 95 5.878 6.412 0.752 1.00 0.00 C ATOM 1532 C LEU A 95 7.099 6.582 1.650 1.00 0.00 C ATOM 1533 O LEU A 95 8.194 6.126 1.323 1.00 0.00 O ATOM 1534 CB LEU A 95 6.313 6.306 -0.711 1.00 0.00 C ATOM 1535 CG LEU A 95 5.245 5.765 -1.665 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.677 5.955 -3.111 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.970 4.296 -1.378 1.00 0.00 C ATOM 0 H LEU A 95 5.190 8.363 0.410 1.00 0.00 H new ATOM 0 HA LEU A 95 5.367 5.492 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.620 7.293 -1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.190 5.661 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 95 4.324 6.325 -1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.906 5.565 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.824 7.016 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.611 5.420 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.208 3.927 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.887 3.722 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.618 4.185 -0.353 1.00 0.00 H new ATOM 1549 N THR A 96 6.897 7.233 2.789 1.00 0.00 N ATOM 1550 CA THR A 96 7.972 7.458 3.749 1.00 0.00 C ATOM 1551 C THR A 96 7.697 6.674 5.024 1.00 0.00 C ATOM 1552 O THR A 96 8.599 6.075 5.611 1.00 0.00 O ATOM 1553 CB THR A 96 8.104 8.948 4.065 1.00 0.00 C ATOM 1554 OG1 THR A 96 8.234 9.705 2.875 1.00 0.00 O ATOM 1555 CG2 THR A 96 9.292 9.270 4.946 1.00 0.00 C ATOM 0 H THR A 96 5.995 7.616 3.072 1.00 0.00 H new ATOM 0 HA THR A 96 8.910 7.114 3.313 1.00 0.00 H new ATOM 0 HB THR A 96 7.192 9.210 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.315 10.656 3.099 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.327 10.344 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.196 8.741 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.210 8.958 4.448 1.00 0.00 H new ATOM 1563 N ASN A 97 6.435 6.673 5.433 1.00 0.00 N ATOM 1564 CA ASN A 97 6.009 5.953 6.624 1.00 0.00 C ATOM 1565 C ASN A 97 4.900 4.970 6.268 1.00 0.00 C ATOM 1566 O ASN A 97 4.007 4.703 7.073 1.00 0.00 O ATOM 1567 CB ASN A 97 5.522 6.932 7.695 1.00 0.00 C ATOM 1568 CG ASN A 97 6.642 7.797 8.239 1.00 0.00 C ATOM 1569 OD1 ASN A 97 7.224 7.495 9.281 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.948 8.880 7.535 1.00 0.00 N ATOM 0 H ASN A 97 5.684 7.167 4.952 1.00 0.00 H new ATOM 0 HA ASN A 97 6.860 5.400 7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.745 7.570 7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.067 6.374 8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.692 9.501 7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.439 9.091 6.677 1.00 0.00 H new ATOM 1577 N THR A 98 4.962 4.441 5.047 1.00 0.00 N ATOM 1578 CA THR A 98 3.964 3.494 4.571 1.00 0.00 C ATOM 1579 C THR A 98 4.029 2.156 5.317 1.00 0.00 C ATOM 1580 O THR A 98 3.003 1.498 5.486 1.00 0.00 O ATOM 1581 CB THR A 98 4.115 3.266 3.062 1.00 0.00 C ATOM 1582 OG1 THR A 98 2.993 2.571 2.549 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.351 2.480 2.682 1.00 0.00 C ATOM 0 H THR A 98 5.695 4.655 4.371 1.00 0.00 H new ATOM 0 HA THR A 98 2.987 3.933 4.773 1.00 0.00 H new ATOM 0 HB THR A 98 4.201 4.264 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 98 2.204 2.779 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.387 2.360 1.599 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.240 3.014 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.318 1.498 3.155 1.00 0.00 H new ATOM 1591 N PRO A 99 5.222 1.719 5.778 1.00 0.00 N ATOM 1592 CA PRO A 99 5.357 0.449 6.498 1.00 0.00 C ATOM 1593 C PRO A 99 4.327 0.306 7.613 1.00 0.00 C ATOM 1594 O PRO A 99 3.941 -0.805 7.977 1.00 0.00 O ATOM 1595 CB PRO A 99 6.771 0.513 7.071 1.00 0.00 C ATOM 1596 CG PRO A 99 7.515 1.380 6.118 1.00 0.00 C ATOM 1597 CD PRO A 99 6.525 2.409 5.643 1.00 0.00 C ATOM 0 HA PRO A 99 5.190 -0.410 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.774 0.933 8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.218 -0.479 7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.368 1.853 6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.906 0.798 5.283 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.565 3.315 6.248 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.718 2.706 4.612 1.00 0.00 H new ATOM 1605 N ALA A 100 3.878 1.437 8.143 1.00 0.00 N ATOM 1606 CA ALA A 100 2.883 1.435 9.207 1.00 0.00 C ATOM 1607 C ALA A 100 1.525 1.009 8.665 1.00 0.00 C ATOM 1608 O ALA A 100 0.791 0.263 9.313 1.00 0.00 O ATOM 1609 CB ALA A 100 2.793 2.810 9.852 1.00 0.00 C ATOM 0 H ALA A 100 4.187 2.365 7.854 1.00 0.00 H new ATOM 0 HA ALA A 100 3.190 0.717 9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.045 2.792 10.645 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.762 3.078 10.273 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.507 3.546 9.101 1.00 0.00 H new ATOM 1615 N VAL A 101 1.202 1.480 7.465 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.062 1.139 6.828 1.00 0.00 C ATOM 1617 C VAL A 101 -0.159 -0.366 6.594 1.00 0.00 C ATOM 1618 O VAL A 101 -1.254 -0.924 6.523 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.231 1.870 5.482 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.614 1.614 4.903 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.018 3.361 5.647 1.00 0.00 C ATOM 0 H VAL A 101 1.799 2.098 6.915 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.857 1.457 7.502 1.00 0.00 H new ATOM 0 HB VAL A 101 0.508 1.477 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.713 2.139 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.749 0.544 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.372 1.975 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.106 3.859 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.694 3.772 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.033 3.522 6.011 1.00 0.00 H new ATOM 1631 N ILE A 102 0.995 -1.018 6.481 1.00 0.00 N ATOM 1632 CA ILE A 102 1.040 -2.458 6.262 1.00 0.00 C ATOM 1633 C ILE A 102 0.556 -3.209 7.497 1.00 0.00 C ATOM 1634 O ILE A 102 -0.362 -4.025 7.420 1.00 0.00 O ATOM 1635 CB ILE A 102 2.464 -2.937 5.918 1.00 0.00 C ATOM 1636 CG1 ILE A 102 3.092 -2.042 4.848 1.00 0.00 C ATOM 1637 CG2 ILE A 102 2.438 -4.386 5.455 1.00 0.00 C ATOM 1638 CD1 ILE A 102 4.506 -2.441 4.484 1.00 0.00 C ATOM 0 H ILE A 102 1.910 -0.571 6.538 1.00 0.00 H new ATOM 0 HA ILE A 102 0.382 -2.669 5.419 1.00 0.00 H new ATOM 0 HB ILE A 102 3.076 -2.872 6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.472 -2.070 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.093 -1.011 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.451 -4.710 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.034 -5.014 6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.810 -4.473 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.890 -1.765 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.139 -2.385 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.509 -3.461 4.100 1.00 0.00 H new ATOM 1650 N SER A 103 1.181 -2.924 8.636 1.00 0.00 N ATOM 1651 CA SER A 103 0.814 -3.570 9.890 1.00 0.00 C ATOM 1652 C SER A 103 -0.563 -3.109 10.356 1.00 0.00 C ATOM 1653 O SER A 103 -1.252 -3.820 11.087 1.00 0.00 O ATOM 1654 CB SER A 103 1.858 -3.268 10.968 1.00 0.00 C ATOM 1655 OG SER A 103 2.102 -4.409 11.773 1.00 0.00 O ATOM 0 H SER A 103 1.943 -2.251 8.715 1.00 0.00 H new ATOM 0 HA SER A 103 0.779 -4.646 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.787 -2.944 10.499 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.513 -2.445 11.593 1.00 0.00 H new ATOM 0 HG SER A 103 2.773 -4.192 12.453 1.00 0.00 H new ATOM 1661 N ALA A 104 -0.959 -1.914 9.927 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.254 -1.359 10.301 1.00 0.00 C ATOM 1663 C ALA A 104 -3.392 -2.142 9.657 1.00 0.00 C ATOM 1664 O ALA A 104 -4.437 -2.354 10.271 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.331 0.108 9.908 1.00 0.00 C ATOM 0 H ALA A 104 -0.401 -1.313 9.321 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.359 -1.440 11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.303 0.510 10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.544 0.663 10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.201 0.203 8.830 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.185 -2.568 8.414 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.201 -3.326 7.691 1.00 0.00 C ATOM 1673 C PHE A 105 -4.510 -4.639 8.395 1.00 0.00 C ATOM 1674 O PHE A 105 -5.663 -5.062 8.462 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.745 -3.610 6.258 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.797 -4.288 5.422 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -6.135 -3.972 5.583 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.452 -5.241 4.474 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -7.101 -4.584 4.820 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.418 -5.858 3.708 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.743 -5.529 3.880 1.00 0.00 C ATOM 0 H PHE A 105 -2.327 -2.402 7.888 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.107 -2.720 7.666 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.461 -2.672 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.853 -4.236 6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.424 -3.235 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.413 -5.503 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.141 -4.325 4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.135 -6.598 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.502 -6.010 3.280 1.00 0.00 H new ATOM 1691 N SER A 106 -3.472 -5.285 8.912 1.00 0.00 N ATOM 1692 CA SER A 106 -3.633 -6.558 9.603 1.00 0.00 C ATOM 1693 C SER A 106 -4.633 -6.447 10.751 1.00 0.00 C ATOM 1694 O SER A 106 -5.223 -7.444 11.167 1.00 0.00 O ATOM 1695 CB SER A 106 -2.285 -7.052 10.126 1.00 0.00 C ATOM 1696 OG SER A 106 -2.444 -8.186 10.961 1.00 0.00 O ATOM 0 H SER A 106 -2.510 -4.948 8.866 1.00 0.00 H new ATOM 0 HA SER A 106 -4.024 -7.279 8.885 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.636 -7.303 9.287 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.793 -6.254 10.682 1.00 0.00 H new ATOM 0 HG SER A 106 -1.566 -8.483 11.281 1.00 0.00 H new ATOM 1702 N THR A 107 -4.821 -5.235 11.260 1.00 0.00 N ATOM 1703 CA THR A 107 -5.753 -5.010 12.358 1.00 0.00 C ATOM 1704 C THR A 107 -7.149 -4.704 11.829 1.00 0.00 C ATOM 1705 O THR A 107 -8.148 -5.006 12.482 1.00 0.00 O ATOM 1706 CB THR A 107 -5.263 -3.868 13.249 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.965 -4.140 13.747 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.164 -3.607 14.437 1.00 0.00 C ATOM 0 H THR A 107 -4.343 -4.396 10.932 1.00 0.00 H new ATOM 0 HA THR A 107 -5.803 -5.922 12.953 1.00 0.00 H new ATOM 0 HB THR A 107 -5.264 -2.984 12.611 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.669 -3.397 14.313 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.759 -2.785 15.027 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.162 -3.344 14.086 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.221 -4.503 15.054 1.00 0.00 H new ATOM 1716 N MET A 108 -7.213 -4.115 10.641 1.00 0.00 N ATOM 1717 CA MET A 108 -8.487 -3.785 10.025 1.00 0.00 C ATOM 1718 C MET A 108 -9.015 -4.984 9.247 1.00 0.00 C ATOM 1719 O MET A 108 -10.224 -5.152 9.083 1.00 0.00 O ATOM 1720 CB MET A 108 -8.332 -2.576 9.102 1.00 0.00 C ATOM 1721 CG MET A 108 -7.456 -1.476 9.682 1.00 0.00 C ATOM 1722 SD MET A 108 -8.334 -0.440 10.869 1.00 0.00 S ATOM 1723 CE MET A 108 -7.375 -0.736 12.351 1.00 0.00 C ATOM 0 H MET A 108 -6.396 -3.857 10.087 1.00 0.00 H new ATOM 0 HA MET A 108 -9.203 -3.532 10.807 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.907 -2.905 8.154 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.318 -2.167 8.884 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.590 -1.925 10.169 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.078 -0.853 8.872 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.901 -0.325 13.213 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.238 -1.809 12.487 1.00 0.00 H new ATOM 0 HE3 MET A 108 -6.402 -0.255 12.257 1.00 0.00 H new ATOM 1733 N MET A 109 -8.094 -5.820 8.777 1.00 0.00 N ATOM 1734 CA MET A 109 -8.452 -7.014 8.026 1.00 0.00 C ATOM 1735 C MET A 109 -8.869 -8.145 8.966 1.00 0.00 C ATOM 1736 O MET A 109 -9.458 -9.131 8.531 1.00 0.00 O ATOM 1737 CB MET A 109 -7.278 -7.465 7.152 1.00 0.00 C ATOM 1738 CG MET A 109 -6.108 -8.029 7.942 1.00 0.00 C ATOM 1739 SD MET A 109 -6.257 -9.802 8.231 1.00 0.00 S ATOM 1740 CE MET A 109 -5.514 -10.453 6.736 1.00 0.00 C ATOM 0 H MET A 109 -7.090 -5.690 8.905 1.00 0.00 H new ATOM 0 HA MET A 109 -9.299 -6.769 7.385 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.629 -8.221 6.450 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.931 -6.618 6.561 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.181 -7.829 7.404 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.039 -7.513 8.900 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.051 -11.348 6.423 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.567 -9.703 5.947 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.471 -10.705 6.928 1.00 0.00 H new ATOM 1750 N SER A 110 -8.564 -7.999 10.254 1.00 0.00 N ATOM 1751 CA SER A 110 -8.922 -9.015 11.238 1.00 0.00 C ATOM 1752 C SER A 110 -10.148 -8.583 12.029 1.00 0.00 C ATOM 1753 O SER A 110 -10.963 -9.412 12.434 1.00 0.00 O ATOM 1754 CB SER A 110 -7.750 -9.282 12.185 1.00 0.00 C ATOM 1755 OG SER A 110 -6.930 -10.331 11.700 1.00 0.00 O ATOM 0 H SER A 110 -8.073 -7.192 10.638 1.00 0.00 H new ATOM 0 HA SER A 110 -9.157 -9.937 10.707 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.156 -8.375 12.298 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.129 -9.540 13.174 1.00 0.00 H new ATOM 0 HG SER A 110 -6.732 -10.180 10.752 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.282 -7.278 12.232 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.420 -6.737 12.960 1.00 0.00 C ATOM 1763 C VAL A 111 -12.711 -6.936 12.170 1.00 0.00 C ATOM 1764 O VAL A 111 -13.808 -6.789 12.709 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.236 -5.235 13.260 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -11.203 -4.426 11.973 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.336 -4.737 14.184 1.00 0.00 C ATOM 0 H VAL A 111 -9.618 -6.577 11.903 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.484 -7.278 13.904 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.279 -5.102 13.765 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.072 -3.370 12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.373 -4.764 11.352 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.140 -4.563 11.433 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.190 -3.676 14.385 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.306 -4.886 13.709 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.302 -5.291 15.122 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.574 -7.272 10.887 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.720 -7.489 10.025 1.00 0.00 C ATOM 1779 C HIS A 112 -14.410 -8.811 10.356 1.00 0.00 C ATOM 1780 O HIS A 112 -15.612 -8.965 10.137 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.266 -7.472 8.567 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.745 -8.783 8.067 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.904 -9.593 8.798 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.958 -9.423 6.900 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.627 -10.679 8.098 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -12.256 -10.600 6.943 1.00 0.00 N ATOM 0 H HIS A 112 -11.673 -7.399 10.427 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.442 -6.689 10.188 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.104 -7.166 7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.488 -6.717 8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.569 -9.073 6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -10.993 -11.493 8.418 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -12.226 -11.300 6.202 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.640 -9.762 10.878 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.182 -11.068 11.230 1.00 0.00 C ATOM 1797 C ARG A 113 -15.196 -10.948 12.362 1.00 0.00 C ATOM 1798 O ARG A 113 -16.211 -11.646 12.378 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.055 -12.019 11.636 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.359 -13.481 11.350 1.00 0.00 C ATOM 1801 CD ARG A 113 -12.876 -13.890 9.969 1.00 0.00 C ATOM 1802 NE ARG A 113 -12.594 -15.322 9.890 1.00 0.00 N ATOM 1803 CZ ARG A 113 -11.537 -15.902 10.453 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -10.658 -15.177 11.136 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -11.355 -17.209 10.332 1.00 0.00 N ATOM 0 H ARG A 113 -12.643 -9.652 11.065 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.689 -11.472 10.354 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.144 -11.736 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.856 -11.900 12.701 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.882 -14.107 12.104 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.433 -13.652 11.427 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -13.631 -13.628 9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.976 -13.329 9.719 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.246 -15.912 9.373 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.791 -14.170 11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.850 -15.627 11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -12.025 -17.771 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.545 -17.653 10.764 1.00 0.00 H new