USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 87 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 50 THR OG1 : rot 97:sc= 1.38 USER MOD Set 2.2: A 98 TYR OH : rot -11:sc= -1.23 USER MOD Set 2.3: A 100 MET CE :methyl 179:sc= -5.06! (180deg=-4.86!) USER MOD Set 3.1: A 89 ASN : amide:sc= -0.77 K(o=-0.93,f=-6.4!) USER MOD Set 3.2: A 108 HIS : no HD1:sc= -0.156 K(o=-0.93,f=-5.1!) USER MOD Set 4.1: A 38 ASN : amide:sc= -1.84! C(o=-1.8!,f=-11!) USER MOD Set 4.2: A 61 ASN : amide:sc= 0.0135 X(o=-1.8,f=-2) USER MOD Set 5.1: A 32 GLN : amide:sc= -6.29! C(o=-21!,f=-29!) USER MOD Set 5.2: A 41 GLN : amide:sc= -14.4! C(o=-21!,f=-22!) USER MOD Single : A 13 ASN : amide:sc= -0.293 K(o=-0.29,f=-0.91) USER MOD Single : A 14 THR OG1 : rot 108:sc= 0.0478 USER MOD Single : A 42 TYR OH : rot -29:sc= -3.93! USER MOD Single : A 43 ASN : amide:sc= -7.61! C(o=-7.6!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0435 X(o=-0.044,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0.179 (180deg=0.168) USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= -0.158 (180deg=-0.853) USER MOD Single : A 69 CYS SG : rot 103:sc= 0.014 USER MOD Single : A 70 THR OG1 : rot -72:sc= 0.644 USER MOD Single : A 72 SER OG : rot 57:sc= 0.163 USER MOD Single : A 76 TYR OH : rot 165:sc= -0.355 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -150:sc= -0.362 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 1.32 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 25:sc= 0.894 USER MOD Single : A 103 THR OG1 : rot 12:sc= 0.562 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -111:sc= -0.523 (180deg=-2.59) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 12:sc= -4.83! USER MOD Single : A 123 LYS NZ :NH3+ 155:sc= -0.0294 (180deg=-0.365) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.376 3.580 1.171 1.00 0.00 N ATOM 132 CA ASP A 10 13.009 4.691 0.229 1.00 0.00 C ATOM 133 C ASP A 10 12.010 4.149 -0.794 1.00 0.00 C ATOM 134 O ASP A 10 12.388 3.673 -1.847 1.00 0.00 O ATOM 135 CB ASP A 10 14.261 5.186 -0.497 1.00 0.00 C ATOM 136 CG ASP A 10 14.885 6.345 0.283 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.188 6.931 1.094 1.00 0.00 O ATOM 138 OD2 ASP A 10 16.050 6.626 0.054 1.00 0.00 O ATOM 0 HA ASP A 10 12.569 5.519 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.980 4.373 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.004 5.510 -1.505 1.00 0.00 H new ATOM 143 N ILE A 11 10.750 4.170 -0.481 1.00 0.00 N ATOM 144 CA ILE A 11 9.756 3.604 -1.416 1.00 0.00 C ATOM 145 C ILE A 11 9.281 4.645 -2.402 1.00 0.00 C ATOM 146 O ILE A 11 9.517 4.522 -3.571 1.00 0.00 O ATOM 147 CB ILE A 11 8.557 3.082 -0.652 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.942 2.621 0.756 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.975 1.902 -1.417 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.022 1.563 0.645 1.00 0.00 C ATOM 0 H ILE A 11 10.368 4.555 0.383 1.00 0.00 H new ATOM 0 HA ILE A 11 10.240 2.791 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 11 7.829 3.888 -0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.300 3.465 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.071 2.218 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.109 1.512 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.670 2.228 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.728 1.119 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.305 1.226 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.645 0.717 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.893 1.984 0.143 1.00 0.00 H new ATOM 162 N GLU A 12 8.572 5.643 -1.948 1.00 0.00 N ATOM 163 CA GLU A 12 8.028 6.673 -2.885 1.00 0.00 C ATOM 164 C GLU A 12 9.055 7.054 -3.966 1.00 0.00 C ATOM 165 O GLU A 12 8.703 7.287 -5.105 1.00 0.00 O ATOM 166 CB GLU A 12 7.619 7.919 -2.100 1.00 0.00 C ATOM 167 CG GLU A 12 8.853 8.550 -1.450 1.00 0.00 C ATOM 168 CD GLU A 12 8.439 9.800 -0.663 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.253 10.087 -0.616 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.319 10.450 -0.122 1.00 0.00 O ATOM 0 H GLU A 12 8.344 5.791 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 12 7.158 6.247 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.139 8.637 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.889 7.655 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.333 7.832 -0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.584 8.815 -2.214 1.00 0.00 H new ATOM 177 N ASN A 13 10.316 7.100 -3.632 1.00 0.00 N ATOM 178 CA ASN A 13 11.339 7.444 -4.662 1.00 0.00 C ATOM 179 C ASN A 13 11.581 6.211 -5.535 1.00 0.00 C ATOM 180 O ASN A 13 11.659 6.291 -6.745 1.00 0.00 O ATOM 181 CB ASN A 13 12.642 7.855 -3.975 1.00 0.00 C ATOM 182 CG ASN A 13 12.796 9.373 -4.054 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.497 9.974 -5.067 1.00 0.00 O ATOM 184 ND2 ASN A 13 13.251 10.024 -3.019 1.00 0.00 N ATOM 0 H ASN A 13 10.681 6.916 -2.698 1.00 0.00 H new ATOM 0 HA ASN A 13 10.989 8.273 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.635 7.532 -2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.490 7.366 -4.455 1.00 0.00 H new ATOM 0 HD21 ASN A 13 13.356 11.038 -3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.502 9.519 -2.169 1.00 0.00 H new ATOM 191 N THR A 14 11.674 5.066 -4.918 1.00 0.00 N ATOM 192 CA THR A 14 11.880 3.802 -5.682 1.00 0.00 C ATOM 193 C THR A 14 10.554 3.389 -6.340 1.00 0.00 C ATOM 194 O THR A 14 10.487 2.425 -7.073 1.00 0.00 O ATOM 195 CB THR A 14 12.341 2.707 -4.689 1.00 0.00 C ATOM 196 OG1 THR A 14 13.730 2.861 -4.433 1.00 0.00 O ATOM 197 CG2 THR A 14 12.083 1.305 -5.258 1.00 0.00 C ATOM 0 H THR A 14 11.616 4.950 -3.906 1.00 0.00 H new ATOM 0 HA THR A 14 12.633 3.939 -6.458 1.00 0.00 H new ATOM 0 HB THR A 14 11.773 2.816 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.859 3.211 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.416 0.554 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.017 1.179 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.633 1.184 -6.191 1.00 0.00 H new ATOM 205 N LEU A 15 9.499 4.101 -6.077 1.00 0.00 N ATOM 206 CA LEU A 15 8.194 3.743 -6.666 1.00 0.00 C ATOM 207 C LEU A 15 7.948 4.607 -7.902 1.00 0.00 C ATOM 208 O LEU A 15 7.193 4.249 -8.784 1.00 0.00 O ATOM 209 CB LEU A 15 7.118 3.980 -5.610 1.00 0.00 C ATOM 210 CG LEU A 15 7.265 2.949 -4.490 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.405 3.364 -3.302 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.807 1.579 -4.980 1.00 0.00 C ATOM 0 H LEU A 15 9.490 4.923 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 15 8.174 2.697 -6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.207 4.988 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.128 3.904 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 15 8.312 2.896 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.509 2.630 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.729 4.340 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.361 3.419 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.915 0.850 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.762 1.632 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.417 1.274 -5.830 1.00 0.00 H new ATOM 224 N ALA A 16 8.590 5.741 -7.973 1.00 0.00 N ATOM 225 CA ALA A 16 8.410 6.630 -9.150 1.00 0.00 C ATOM 226 C ALA A 16 9.126 6.015 -10.352 1.00 0.00 C ATOM 227 O ALA A 16 8.731 6.203 -11.486 1.00 0.00 O ATOM 228 CB ALA A 16 9.010 8.004 -8.843 1.00 0.00 C ATOM 0 H ALA A 16 9.233 6.089 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 16 7.349 6.741 -9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.880 8.659 -9.705 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.506 8.436 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.073 7.897 -8.626 1.00 0.00 H new ATOM 340 N ASP A 24 10.841 -5.487 -5.676 1.00 0.00 N ATOM 341 CA ASP A 24 9.685 -6.410 -5.493 1.00 0.00 C ATOM 342 C ASP A 24 10.004 -7.433 -4.394 1.00 0.00 C ATOM 343 O ASP A 24 9.158 -8.210 -3.998 1.00 0.00 O ATOM 344 CB ASP A 24 9.411 -7.147 -6.807 1.00 0.00 C ATOM 345 CG ASP A 24 8.951 -6.149 -7.874 1.00 0.00 C ATOM 346 OD1 ASP A 24 8.989 -4.958 -7.607 1.00 0.00 O ATOM 347 OD2 ASP A 24 8.570 -6.595 -8.943 1.00 0.00 O ATOM 0 HA ASP A 24 8.807 -5.833 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.312 -7.661 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.647 -7.909 -6.655 1.00 0.00 H new ATOM 352 N GLY A 25 11.215 -7.444 -3.899 1.00 0.00 N ATOM 353 CA GLY A 25 11.573 -8.420 -2.833 1.00 0.00 C ATOM 354 C GLY A 25 11.537 -7.729 -1.470 1.00 0.00 C ATOM 355 O GLY A 25 12.240 -8.108 -0.555 1.00 0.00 O ATOM 0 H GLY A 25 11.968 -6.820 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.877 -9.258 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.567 -8.828 -3.019 1.00 0.00 H new ATOM 359 N LEU A 26 10.718 -6.724 -1.320 1.00 0.00 N ATOM 360 CA LEU A 26 10.635 -6.026 -0.019 1.00 0.00 C ATOM 361 C LEU A 26 9.892 -6.916 0.969 1.00 0.00 C ATOM 362 O LEU A 26 9.573 -8.055 0.693 1.00 0.00 O ATOM 363 CB LEU A 26 9.860 -4.709 -0.185 1.00 0.00 C ATOM 364 CG LEU A 26 10.446 -3.891 -1.340 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.310 -3.249 -2.146 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.342 -2.787 -0.774 1.00 0.00 C ATOM 0 H LEU A 26 10.104 -6.360 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 26 11.640 -5.812 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.808 -4.920 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.907 -4.132 0.739 1.00 0.00 H new ATOM 0 HG LEU A 26 11.028 -4.547 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.730 -2.668 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.663 -4.029 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.729 -2.594 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.761 -2.203 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.753 -2.136 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.151 -3.235 -0.197 1.00 0.00 H new ATOM 378 N ALA A 27 9.595 -6.382 2.106 1.00 0.00 N ATOM 379 CA ALA A 27 8.838 -7.152 3.135 1.00 0.00 C ATOM 380 C ALA A 27 7.430 -6.556 3.252 1.00 0.00 C ATOM 381 O ALA A 27 6.694 -6.828 4.191 1.00 0.00 O ATOM 382 CB ALA A 27 9.553 -7.052 4.483 1.00 0.00 C ATOM 0 H ALA A 27 9.844 -5.431 2.379 1.00 0.00 H new ATOM 0 HA ALA A 27 8.777 -8.201 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.997 -7.616 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.559 -7.462 4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.613 -6.007 4.786 1.00 0.00 H new ATOM 388 N PHE A 28 7.062 -5.726 2.307 1.00 0.00 N ATOM 389 CA PHE A 28 5.726 -5.084 2.340 1.00 0.00 C ATOM 390 C PHE A 28 5.212 -4.903 0.914 1.00 0.00 C ATOM 391 O PHE A 28 5.893 -5.199 -0.045 1.00 0.00 O ATOM 392 CB PHE A 28 5.859 -3.706 2.993 1.00 0.00 C ATOM 393 CG PHE A 28 7.053 -2.996 2.389 1.00 0.00 C ATOM 394 CD1 PHE A 28 6.914 -2.275 1.196 1.00 0.00 C ATOM 395 CD2 PHE A 28 8.305 -3.077 3.010 1.00 0.00 C ATOM 396 CE1 PHE A 28 8.026 -1.639 0.629 1.00 0.00 C ATOM 397 CE2 PHE A 28 9.414 -2.437 2.445 1.00 0.00 C ATOM 398 CZ PHE A 28 9.274 -1.722 1.254 1.00 0.00 C ATOM 0 H PHE A 28 7.642 -5.468 1.509 1.00 0.00 H new ATOM 0 HA PHE A 28 5.033 -5.708 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.952 -3.123 2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.986 -3.809 4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.950 -2.209 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.415 -3.635 3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.919 -1.084 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.377 -2.496 2.930 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.131 -1.232 0.815 1.00 0.00 H new ATOM 408 N GLY A 29 4.018 -4.400 0.776 1.00 0.00 N ATOM 409 CA GLY A 29 3.447 -4.170 -0.577 1.00 0.00 C ATOM 410 C GLY A 29 3.408 -2.670 -0.833 1.00 0.00 C ATOM 411 O GLY A 29 2.754 -1.940 -0.123 1.00 0.00 O ATOM 0 H GLY A 29 3.409 -4.136 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.053 -4.668 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.444 -4.592 -0.642 1.00 0.00 H new ATOM 415 N ALA A 30 4.096 -2.192 -1.834 1.00 0.00 N ATOM 416 CA ALA A 30 4.075 -0.726 -2.093 1.00 0.00 C ATOM 417 C ALA A 30 3.006 -0.420 -3.135 1.00 0.00 C ATOM 418 O ALA A 30 3.259 -0.414 -4.323 1.00 0.00 O ATOM 419 CB ALA A 30 5.447 -0.260 -2.584 1.00 0.00 C ATOM 0 H ALA A 30 4.664 -2.745 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 30 3.843 -0.194 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.421 0.814 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.198 -0.479 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.700 -0.783 -3.506 1.00 0.00 H new ATOM 425 N ILE A 31 1.803 -0.175 -2.693 1.00 0.00 N ATOM 426 CA ILE A 31 0.704 0.120 -3.651 1.00 0.00 C ATOM 427 C ILE A 31 0.544 1.635 -3.790 1.00 0.00 C ATOM 428 O ILE A 31 0.987 2.398 -2.956 1.00 0.00 O ATOM 429 CB ILE A 31 -0.612 -0.525 -3.154 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.286 0.348 -2.081 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.317 -1.901 -2.549 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.179 1.392 -2.758 1.00 0.00 C ATOM 0 H ILE A 31 1.535 -0.167 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 31 0.945 -0.299 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.282 -0.620 -4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.880 -0.274 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.530 0.842 -1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.246 -2.352 -2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.136 -2.542 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.370 -1.790 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.656 2.010 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.573 2.021 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.944 0.888 -3.349 1.00 0.00 H new ATOM 444 N GLN A 32 -0.093 2.071 -4.831 1.00 0.00 N ATOM 445 CA GLN A 32 -0.299 3.528 -5.016 1.00 0.00 C ATOM 446 C GLN A 32 -1.762 3.754 -5.365 1.00 0.00 C ATOM 447 O GLN A 32 -2.514 2.814 -5.523 1.00 0.00 O ATOM 448 CB GLN A 32 0.592 4.046 -6.142 1.00 0.00 C ATOM 449 CG GLN A 32 1.777 4.805 -5.541 1.00 0.00 C ATOM 450 CD GLN A 32 2.726 5.245 -6.657 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.469 5.005 -7.819 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.823 5.882 -6.348 1.00 0.00 N ATOM 0 H GLN A 32 -0.482 1.480 -5.566 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.040 4.064 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.949 3.215 -6.751 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.022 4.701 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.422 5.675 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.306 4.170 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.038 6.083 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.465 6.178 -7.083 1.00 0.00 H new ATOM 461 N LEU A 33 -2.179 4.977 -5.488 1.00 0.00 N ATOM 462 CA LEU A 33 -3.601 5.232 -5.819 1.00 0.00 C ATOM 463 C LEU A 33 -3.740 6.597 -6.486 1.00 0.00 C ATOM 464 O LEU A 33 -3.049 7.538 -6.148 1.00 0.00 O ATOM 465 CB LEU A 33 -4.438 5.228 -4.532 1.00 0.00 C ATOM 466 CG LEU A 33 -4.718 3.785 -4.094 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.585 3.785 -2.833 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.455 3.046 -5.213 1.00 0.00 C ATOM 0 H LEU A 33 -1.599 5.808 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.951 4.452 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.908 5.760 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.377 5.756 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.773 3.285 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.781 2.758 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.063 4.309 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.529 4.288 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.654 2.020 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.398 3.551 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.839 3.039 -6.112 1.00 0.00 H new ATOM 480 N ASP A 34 -4.657 6.724 -7.398 1.00 0.00 N ATOM 481 CA ASP A 34 -4.877 8.034 -8.047 1.00 0.00 C ATOM 482 C ASP A 34 -6.071 8.657 -7.347 1.00 0.00 C ATOM 483 O ASP A 34 -6.709 8.000 -6.565 1.00 0.00 O ATOM 484 CB ASP A 34 -5.171 7.845 -9.536 1.00 0.00 C ATOM 485 CG ASP A 34 -5.079 9.195 -10.249 1.00 0.00 C ATOM 486 OD1 ASP A 34 -3.995 9.533 -10.697 1.00 0.00 O ATOM 487 OD2 ASP A 34 -6.092 9.867 -10.336 1.00 0.00 O ATOM 0 H ASP A 34 -5.265 5.971 -7.721 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.995 8.670 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.461 7.142 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.165 7.418 -9.670 1.00 0.00 H new ATOM 492 N GLY A 35 -6.356 9.905 -7.594 1.00 0.00 N ATOM 493 CA GLY A 35 -7.501 10.584 -6.904 1.00 0.00 C ATOM 494 C GLY A 35 -8.789 9.743 -6.937 1.00 0.00 C ATOM 495 O GLY A 35 -9.676 9.944 -6.131 1.00 0.00 O ATOM 0 H GLY A 35 -5.843 10.494 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.229 10.786 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.687 11.548 -7.378 1.00 0.00 H new ATOM 499 N ASP A 36 -8.921 8.824 -7.852 1.00 0.00 N ATOM 500 CA ASP A 36 -10.181 8.012 -7.905 1.00 0.00 C ATOM 501 C ASP A 36 -10.005 6.693 -7.138 1.00 0.00 C ATOM 502 O ASP A 36 -10.802 5.785 -7.260 1.00 0.00 O ATOM 503 CB ASP A 36 -10.510 7.698 -9.365 1.00 0.00 C ATOM 504 CG ASP A 36 -10.956 8.976 -10.078 1.00 0.00 C ATOM 505 OD1 ASP A 36 -11.807 9.665 -9.539 1.00 0.00 O ATOM 506 OD2 ASP A 36 -10.437 9.246 -11.148 1.00 0.00 O ATOM 0 H ASP A 36 -8.223 8.597 -8.560 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.988 8.583 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.636 7.278 -9.863 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.298 6.947 -9.417 1.00 0.00 H new ATOM 511 N GLY A 37 -8.970 6.579 -6.359 1.00 0.00 N ATOM 512 CA GLY A 37 -8.739 5.325 -5.594 1.00 0.00 C ATOM 513 C GLY A 37 -8.227 4.258 -6.563 1.00 0.00 C ATOM 514 O GLY A 37 -8.448 3.078 -6.373 1.00 0.00 O ATOM 0 H GLY A 37 -8.268 7.306 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.014 5.494 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.663 4.995 -5.119 1.00 0.00 H new ATOM 518 N ASN A 38 -7.587 4.661 -7.634 1.00 0.00 N ATOM 519 CA ASN A 38 -7.122 3.637 -8.637 1.00 0.00 C ATOM 520 C ASN A 38 -5.649 3.261 -8.431 1.00 0.00 C ATOM 521 O ASN A 38 -4.775 4.097 -8.413 1.00 0.00 O ATOM 522 CB ASN A 38 -7.298 4.186 -10.051 1.00 0.00 C ATOM 523 CG ASN A 38 -8.747 4.631 -10.255 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.474 4.832 -9.303 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.203 4.794 -11.468 1.00 0.00 N ATOM 0 H ASN A 38 -7.367 5.631 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.727 2.741 -8.495 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.623 5.027 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.035 3.422 -10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.168 5.090 -11.615 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.594 4.626 -12.269 1.00 0.00 H new ATOM 532 N ILE A 39 -5.372 1.993 -8.298 1.00 0.00 N ATOM 533 CA ILE A 39 -3.959 1.546 -8.099 1.00 0.00 C ATOM 534 C ILE A 39 -3.049 2.114 -9.200 1.00 0.00 C ATOM 535 O ILE A 39 -3.336 2.019 -10.376 1.00 0.00 O ATOM 536 CB ILE A 39 -3.912 -0.012 -8.082 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.307 -0.487 -6.757 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.070 -0.587 -9.236 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.418 -1.036 -5.862 1.00 0.00 C ATOM 0 H ILE A 39 -6.063 1.243 -8.318 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.592 1.923 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.936 -0.367 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.559 -1.258 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.798 0.339 -6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.069 -1.675 -9.179 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.497 -0.274 -10.189 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.047 -0.219 -9.158 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.991 -1.375 -4.918 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.150 -0.252 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.907 -1.873 -6.361 1.00 0.00 H new ATOM 551 N LEU A 40 -1.924 2.646 -8.813 1.00 0.00 N ATOM 552 CA LEU A 40 -0.949 3.160 -9.814 1.00 0.00 C ATOM 553 C LEU A 40 0.163 2.114 -9.921 1.00 0.00 C ATOM 554 O LEU A 40 0.740 1.892 -10.967 1.00 0.00 O ATOM 555 CB LEU A 40 -0.365 4.498 -9.348 1.00 0.00 C ATOM 556 CG LEU A 40 -1.471 5.350 -8.721 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.869 6.628 -8.136 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.495 5.717 -9.794 1.00 0.00 C ATOM 0 H LEU A 40 -1.636 2.747 -7.840 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.430 3.325 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.431 4.326 -8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.080 5.025 -10.191 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.957 4.784 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.660 7.232 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.136 6.368 -7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.381 7.196 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.285 6.324 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.005 6.282 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.927 4.807 -10.211 1.00 0.00 H new ATOM 570 N GLN A 41 0.433 1.449 -8.827 1.00 0.00 N ATOM 571 CA GLN A 41 1.469 0.375 -8.808 1.00 0.00 C ATOM 572 C GLN A 41 1.135 -0.578 -7.660 1.00 0.00 C ATOM 573 O GLN A 41 0.106 -0.455 -7.026 1.00 0.00 O ATOM 574 CB GLN A 41 2.902 0.932 -8.633 1.00 0.00 C ATOM 575 CG GLN A 41 2.915 2.377 -8.110 1.00 0.00 C ATOM 576 CD GLN A 41 3.232 2.367 -6.615 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.180 2.989 -6.181 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.475 1.688 -5.800 1.00 0.00 N ATOM 0 H GLN A 41 -0.029 1.608 -7.932 1.00 0.00 H new ATOM 0 HA GLN A 41 1.454 -0.140 -9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.454 0.295 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.423 0.891 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.659 2.964 -8.648 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.948 2.849 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.678 1.164 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.680 1.680 -4.801 1.00 0.00 H new ATOM 587 N TYR A 42 1.970 -1.542 -7.401 1.00 0.00 N ATOM 588 CA TYR A 42 1.657 -2.512 -6.310 1.00 0.00 C ATOM 589 C TYR A 42 2.933 -3.233 -5.859 1.00 0.00 C ATOM 590 O TYR A 42 3.343 -3.124 -4.717 1.00 0.00 O ATOM 591 CB TYR A 42 0.673 -3.536 -6.875 1.00 0.00 C ATOM 592 CG TYR A 42 -0.396 -3.892 -5.873 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.152 -2.893 -5.255 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.660 -5.234 -5.599 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.174 -3.243 -4.359 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.672 -5.581 -4.714 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.433 -4.595 -4.094 1.00 0.00 C ATOM 598 OH TYR A 42 -3.423 -4.961 -3.207 1.00 0.00 O ATOM 0 H TYR A 42 2.850 -1.703 -7.891 1.00 0.00 H new ATOM 0 HA TYR A 42 1.233 -1.990 -5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.209 -3.136 -7.776 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.213 -4.437 -7.167 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.950 -1.853 -5.466 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.075 -6.006 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.758 -2.474 -3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.870 -6.622 -4.506 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.531 -4.261 -2.530 1.00 0.00 H new ATOM 608 N ASN A 43 3.527 -3.976 -6.776 1.00 0.00 N ATOM 609 CA ASN A 43 4.779 -4.778 -6.526 1.00 0.00 C ATOM 610 C ASN A 43 4.389 -6.260 -6.389 1.00 0.00 C ATOM 611 O ASN A 43 3.226 -6.608 -6.447 1.00 0.00 O ATOM 612 CB ASN A 43 5.571 -4.280 -5.291 1.00 0.00 C ATOM 613 CG ASN A 43 5.074 -4.938 -3.999 1.00 0.00 C ATOM 614 OD1 ASN A 43 3.930 -5.340 -3.909 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.892 -5.059 -2.992 1.00 0.00 N ATOM 0 H ASN A 43 3.176 -4.061 -7.730 1.00 0.00 H new ATOM 0 HA ASN A 43 5.453 -4.649 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.631 -4.497 -5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.475 -3.197 -5.209 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.573 -5.492 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.851 -4.721 -3.071 1.00 0.00 H new ATOM 622 N ALA A 44 5.345 -7.135 -6.237 1.00 0.00 N ATOM 623 CA ALA A 44 5.010 -8.588 -6.131 1.00 0.00 C ATOM 624 C ALA A 44 4.907 -9.016 -4.663 1.00 0.00 C ATOM 625 O ALA A 44 4.086 -9.839 -4.307 1.00 0.00 O ATOM 626 CB ALA A 44 6.106 -9.405 -6.815 1.00 0.00 C ATOM 0 H ALA A 44 6.339 -6.911 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 44 4.049 -8.762 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.868 -10.466 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.171 -9.120 -7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.061 -9.213 -6.327 1.00 0.00 H new ATOM 632 N ALA A 45 5.740 -8.482 -3.815 1.00 0.00 N ATOM 633 CA ALA A 45 5.706 -8.870 -2.370 1.00 0.00 C ATOM 634 C ALA A 45 4.276 -8.864 -1.834 1.00 0.00 C ATOM 635 O ALA A 45 3.846 -9.777 -1.151 1.00 0.00 O ATOM 636 CB ALA A 45 6.508 -7.857 -1.557 1.00 0.00 C ATOM 0 H ALA A 45 6.448 -7.789 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 45 6.126 -9.872 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.486 -8.136 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.540 -7.845 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.072 -6.866 -1.679 1.00 0.00 H new ATOM 642 N GLU A 46 3.554 -7.819 -2.097 1.00 0.00 N ATOM 643 CA GLU A 46 2.176 -7.725 -1.563 1.00 0.00 C ATOM 644 C GLU A 46 1.331 -8.876 -2.130 1.00 0.00 C ATOM 645 O GLU A 46 0.615 -9.539 -1.414 1.00 0.00 O ATOM 646 CB GLU A 46 1.588 -6.326 -1.922 1.00 0.00 C ATOM 647 CG GLU A 46 0.577 -6.377 -3.056 1.00 0.00 C ATOM 648 CD GLU A 46 -0.678 -7.052 -2.509 1.00 0.00 C ATOM 649 OE1 GLU A 46 -1.132 -6.653 -1.455 1.00 0.00 O ATOM 650 OE2 GLU A 46 -1.181 -8.106 -3.224 1.00 0.00 O ATOM 0 H GLU A 46 3.859 -7.025 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 46 2.172 -7.821 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.112 -5.901 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.402 -5.657 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.349 -5.373 -3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.976 -6.935 -3.903 1.00 0.00 H new ATOM 658 N GLY A 47 1.396 -9.095 -3.409 1.00 0.00 N ATOM 659 CA GLY A 47 0.576 -10.182 -4.026 1.00 0.00 C ATOM 660 C GLY A 47 0.984 -11.528 -3.422 1.00 0.00 C ATOM 661 O GLY A 47 0.285 -12.512 -3.552 1.00 0.00 O ATOM 0 H GLY A 47 1.981 -8.571 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.484 -9.998 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.723 -10.196 -5.106 1.00 0.00 H new ATOM 665 N ASP A 48 2.115 -11.584 -2.768 1.00 0.00 N ATOM 666 CA ASP A 48 2.560 -12.869 -2.167 1.00 0.00 C ATOM 667 C ASP A 48 1.839 -13.086 -0.838 1.00 0.00 C ATOM 668 O ASP A 48 1.565 -14.204 -0.449 1.00 0.00 O ATOM 669 CB ASP A 48 4.071 -12.826 -1.928 1.00 0.00 C ATOM 670 CG ASP A 48 4.530 -14.149 -1.312 1.00 0.00 C ATOM 671 OD1 ASP A 48 3.842 -15.138 -1.503 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.561 -14.150 -0.660 1.00 0.00 O ATOM 0 H ASP A 48 2.746 -10.795 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 48 2.324 -13.688 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.593 -12.650 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.321 -11.998 -1.265 1.00 0.00 H new ATOM 677 N ILE A 49 1.533 -12.032 -0.130 1.00 0.00 N ATOM 678 CA ILE A 49 0.840 -12.196 1.167 1.00 0.00 C ATOM 679 C ILE A 49 -0.678 -12.296 0.928 1.00 0.00 C ATOM 680 O ILE A 49 -1.326 -13.201 1.416 1.00 0.00 O ATOM 681 CB ILE A 49 1.225 -11.009 2.063 1.00 0.00 C ATOM 682 CG1 ILE A 49 2.338 -11.447 3.024 1.00 0.00 C ATOM 683 CG2 ILE A 49 0.035 -10.477 2.867 1.00 0.00 C ATOM 684 CD1 ILE A 49 1.792 -12.454 4.043 1.00 0.00 C ATOM 0 H ILE A 49 1.735 -11.069 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 49 1.140 -13.115 1.671 1.00 0.00 H new ATOM 0 HB ILE A 49 1.569 -10.201 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.158 -11.895 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.744 -10.578 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.358 -9.639 3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.746 -10.144 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.356 -11.269 3.506 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.591 -12.757 4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.988 -11.992 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.408 -13.330 3.519 1.00 0.00 H new ATOM 696 N THR A 50 -1.255 -11.383 0.186 1.00 0.00 N ATOM 697 CA THR A 50 -2.730 -11.462 -0.056 1.00 0.00 C ATOM 698 C THR A 50 -3.001 -12.326 -1.296 1.00 0.00 C ATOM 699 O THR A 50 -4.121 -12.718 -1.552 1.00 0.00 O ATOM 700 CB THR A 50 -3.373 -10.055 -0.256 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.781 -9.886 -1.611 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.409 -8.920 0.107 1.00 0.00 C ATOM 0 H THR A 50 -0.778 -10.598 -0.257 1.00 0.00 H new ATOM 0 HA THR A 50 -3.183 -11.910 0.828 1.00 0.00 H new ATOM 0 HB THR A 50 -4.233 -10.006 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.735 -10.093 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.902 -7.960 -0.049 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.116 -9.012 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.523 -8.979 -0.525 1.00 0.00 H new ATOM 710 N GLY A 51 -1.998 -12.608 -2.081 1.00 0.00 N ATOM 711 CA GLY A 51 -2.225 -13.418 -3.303 1.00 0.00 C ATOM 712 C GLY A 51 -2.576 -12.484 -4.470 1.00 0.00 C ATOM 713 O GLY A 51 -2.595 -12.890 -5.615 1.00 0.00 O ATOM 0 H GLY A 51 -1.034 -12.312 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.333 -13.997 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.033 -14.131 -3.136 1.00 0.00 H new ATOM 717 N ARG A 52 -2.851 -11.235 -4.188 1.00 0.00 N ATOM 718 CA ARG A 52 -3.192 -10.277 -5.276 1.00 0.00 C ATOM 719 C ARG A 52 -2.046 -10.222 -6.286 1.00 0.00 C ATOM 720 O ARG A 52 -1.019 -10.840 -6.104 1.00 0.00 O ATOM 721 CB ARG A 52 -3.436 -8.889 -4.663 1.00 0.00 C ATOM 722 CG ARG A 52 -4.935 -8.650 -4.572 1.00 0.00 C ATOM 723 CD ARG A 52 -5.250 -7.191 -4.237 1.00 0.00 C ATOM 724 NE ARG A 52 -6.060 -7.134 -2.974 1.00 0.00 N ATOM 725 CZ ARG A 52 -7.191 -7.807 -2.908 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.823 -8.150 -4.001 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.695 -8.130 -1.749 1.00 0.00 N ATOM 0 H ARG A 52 -2.853 -10.840 -3.248 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.095 -10.603 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.983 -8.829 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.967 -8.118 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.405 -8.917 -5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.363 -9.300 -3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.326 -6.626 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.800 -6.729 -5.056 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.739 -6.582 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.441 -7.897 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.698 -8.671 -3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.213 -7.862 -0.891 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.571 -8.651 -1.701 1.00 0.00 H new ATOM 741 N ASP A 53 -2.217 -9.496 -7.354 1.00 0.00 N ATOM 742 CA ASP A 53 -1.137 -9.408 -8.378 1.00 0.00 C ATOM 743 C ASP A 53 -0.842 -7.930 -8.665 1.00 0.00 C ATOM 744 O ASP A 53 -1.670 -7.086 -8.404 1.00 0.00 O ATOM 745 CB ASP A 53 -1.594 -10.100 -9.664 1.00 0.00 C ATOM 746 CG ASP A 53 -0.749 -11.354 -9.899 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.950 -12.323 -9.186 1.00 0.00 O ATOM 748 OD2 ASP A 53 0.083 -11.325 -10.791 1.00 0.00 O ATOM 0 H ASP A 53 -3.058 -8.959 -7.564 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.236 -9.898 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.648 -10.368 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.496 -9.419 -10.510 1.00 0.00 H new ATOM 753 N PRO A 54 0.329 -7.651 -9.193 1.00 0.00 N ATOM 754 CA PRO A 54 0.730 -6.269 -9.510 1.00 0.00 C ATOM 755 C PRO A 54 0.011 -5.773 -10.767 1.00 0.00 C ATOM 756 O PRO A 54 -0.385 -4.628 -10.854 1.00 0.00 O ATOM 757 CB PRO A 54 2.241 -6.370 -9.734 1.00 0.00 C ATOM 758 CG PRO A 54 2.532 -7.850 -10.083 1.00 0.00 C ATOM 759 CD PRO A 54 1.350 -8.669 -9.534 1.00 0.00 C ATOM 0 HA PRO A 54 0.474 -5.559 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.559 -5.711 -10.542 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.787 -6.067 -8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.629 -7.983 -11.161 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.471 -8.177 -9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.976 -9.375 -10.276 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.641 -9.250 -8.659 1.00 0.00 H new ATOM 767 N LYS A 55 -0.167 -6.624 -11.738 1.00 0.00 N ATOM 768 CA LYS A 55 -0.865 -6.199 -12.978 1.00 0.00 C ATOM 769 C LYS A 55 -2.367 -6.430 -12.816 1.00 0.00 C ATOM 770 O LYS A 55 -3.177 -5.776 -13.443 1.00 0.00 O ATOM 771 CB LYS A 55 -0.343 -7.008 -14.167 1.00 0.00 C ATOM 772 CG LYS A 55 -0.524 -8.502 -13.893 1.00 0.00 C ATOM 773 CD LYS A 55 -1.168 -9.166 -15.110 1.00 0.00 C ATOM 774 CE LYS A 55 -2.680 -9.256 -14.902 1.00 0.00 C ATOM 775 NZ LYS A 55 -3.281 -10.084 -15.985 1.00 0.00 N ATOM 0 H LYS A 55 0.142 -7.596 -11.725 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.677 -5.140 -13.157 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.879 -6.727 -15.074 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.710 -6.785 -14.337 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.440 -8.964 -13.681 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.149 -8.649 -13.012 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.948 -8.592 -16.010 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.751 -10.162 -15.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.899 -9.696 -13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.119 -8.258 -14.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.310 -10.146 -15.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.083 -9.646 -16.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.870 -11.039 -15.960 1.00 0.00 H new ATOM 789 N GLN A 56 -2.748 -7.350 -11.971 1.00 0.00 N ATOM 790 CA GLN A 56 -4.200 -7.609 -11.763 1.00 0.00 C ATOM 791 C GLN A 56 -4.789 -6.463 -10.943 1.00 0.00 C ATOM 792 O GLN A 56 -5.897 -6.023 -11.179 1.00 0.00 O ATOM 793 CB GLN A 56 -4.389 -8.929 -11.014 1.00 0.00 C ATOM 794 CG GLN A 56 -5.863 -9.335 -11.059 1.00 0.00 C ATOM 795 CD GLN A 56 -5.978 -10.794 -11.507 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.460 -11.632 -10.772 1.00 0.00 O ATOM 797 NE2 GLN A 56 -5.549 -11.135 -12.693 1.00 0.00 N ATOM 0 H GLN A 56 -2.118 -7.931 -11.418 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.706 -7.675 -12.726 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.773 -9.707 -11.465 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.062 -8.823 -9.980 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.316 -9.209 -10.076 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.408 -8.688 -11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.144 -10.431 -13.311 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.619 -12.105 -13.001 1.00 0.00 H new ATOM 806 N VAL A 57 -4.049 -5.966 -9.990 1.00 0.00 N ATOM 807 CA VAL A 57 -4.562 -4.836 -9.170 1.00 0.00 C ATOM 808 C VAL A 57 -4.597 -3.569 -10.019 1.00 0.00 C ATOM 809 O VAL A 57 -5.127 -2.560 -9.604 1.00 0.00 O ATOM 810 CB VAL A 57 -3.653 -4.601 -7.969 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.732 -5.804 -7.033 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.213 -4.402 -8.456 1.00 0.00 C ATOM 0 H VAL A 57 -3.114 -6.293 -9.745 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.565 -5.082 -8.821 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.972 -3.710 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.083 -5.639 -6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.759 -5.933 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.410 -6.700 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.559 -4.234 -7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.885 -5.291 -8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.170 -3.539 -9.121 1.00 0.00 H new ATOM 822 N ILE A 58 -4.045 -3.604 -11.205 1.00 0.00 N ATOM 823 CA ILE A 58 -4.079 -2.391 -12.054 1.00 0.00 C ATOM 824 C ILE A 58 -5.520 -2.199 -12.519 1.00 0.00 C ATOM 825 O ILE A 58 -6.127 -3.079 -13.098 1.00 0.00 O ATOM 826 CB ILE A 58 -3.080 -2.550 -13.224 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.819 -1.771 -12.862 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.643 -1.996 -14.545 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.625 -2.326 -13.639 1.00 0.00 C ATOM 0 H ILE A 58 -3.578 -4.414 -11.613 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.771 -1.500 -11.508 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.878 -3.611 -13.372 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.955 -0.714 -13.092 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.632 -1.842 -11.791 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.907 -2.129 -15.338 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.557 -2.531 -14.804 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.864 -0.935 -14.430 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.272 -1.766 -13.376 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.483 -3.377 -13.387 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.811 -2.232 -14.709 1.00 0.00 H new ATOM 841 N GLY A 59 -6.082 -1.068 -12.223 1.00 0.00 N ATOM 842 CA GLY A 59 -7.502 -0.824 -12.596 1.00 0.00 C ATOM 843 C GLY A 59 -8.389 -1.197 -11.400 1.00 0.00 C ATOM 844 O GLY A 59 -9.520 -0.767 -11.293 1.00 0.00 O ATOM 0 H GLY A 59 -5.621 -0.298 -11.738 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.649 0.222 -12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.772 -1.419 -13.469 1.00 0.00 H new ATOM 848 N LYS A 60 -7.870 -1.989 -10.494 1.00 0.00 N ATOM 849 CA LYS A 60 -8.656 -2.390 -9.295 1.00 0.00 C ATOM 850 C LYS A 60 -8.641 -1.246 -8.289 1.00 0.00 C ATOM 851 O LYS A 60 -7.598 -0.705 -7.962 1.00 0.00 O ATOM 852 CB LYS A 60 -8.019 -3.625 -8.639 1.00 0.00 C ATOM 853 CG LYS A 60 -7.962 -4.775 -9.647 1.00 0.00 C ATOM 854 CD LYS A 60 -9.381 -5.257 -9.955 1.00 0.00 C ATOM 855 CE LYS A 60 -9.342 -6.730 -10.368 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.699 -7.330 -10.212 1.00 0.00 N ATOM 0 H LYS A 60 -6.927 -2.376 -10.538 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.677 -2.622 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.015 -3.385 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.598 -3.923 -7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.472 -4.445 -10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.367 -5.595 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.017 -5.131 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.815 -4.656 -10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.011 -6.819 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.621 -7.271 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.695 -8.300 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.956 -7.350 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.393 -6.759 -10.735 1.00 0.00 H new ATOM 870 N ASN A 61 -9.781 -0.878 -7.784 1.00 0.00 N ATOM 871 CA ASN A 61 -9.818 0.219 -6.786 1.00 0.00 C ATOM 872 C ASN A 61 -9.279 -0.324 -5.464 1.00 0.00 C ATOM 873 O ASN A 61 -9.721 -1.345 -4.977 1.00 0.00 O ATOM 874 CB ASN A 61 -11.261 0.695 -6.600 1.00 0.00 C ATOM 875 CG ASN A 61 -11.366 2.172 -6.984 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.885 2.972 -6.230 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.893 2.570 -8.132 1.00 0.00 N ATOM 0 H ASN A 61 -10.685 -1.288 -8.018 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.212 1.060 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.934 0.099 -7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.570 0.555 -5.564 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.958 3.553 -8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.458 1.899 -8.765 1.00 0.00 H new ATOM 884 N PHE A 62 -8.326 0.345 -4.878 1.00 0.00 N ATOM 885 CA PHE A 62 -7.758 -0.137 -3.585 1.00 0.00 C ATOM 886 C PHE A 62 -8.834 -0.152 -2.497 1.00 0.00 C ATOM 887 O PHE A 62 -8.632 -0.687 -1.424 1.00 0.00 O ATOM 888 CB PHE A 62 -6.639 0.795 -3.145 1.00 0.00 C ATOM 889 CG PHE A 62 -5.993 0.209 -1.923 1.00 0.00 C ATOM 890 CD1 PHE A 62 -4.960 -0.715 -2.069 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.430 0.584 -0.649 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.353 -1.271 -0.936 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.826 0.029 0.485 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.788 -0.898 0.342 1.00 0.00 C ATOM 0 H PHE A 62 -7.914 1.206 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.378 -1.148 -3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.906 0.912 -3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.034 1.787 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.628 -1.002 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.231 1.300 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.551 -1.986 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.161 0.316 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.322 -1.326 1.217 1.00 0.00 H new ATOM 904 N PHE A 63 -9.963 0.441 -2.746 1.00 0.00 N ATOM 905 CA PHE A 63 -11.025 0.473 -1.705 1.00 0.00 C ATOM 906 C PHE A 63 -12.312 -0.158 -2.241 1.00 0.00 C ATOM 907 O PHE A 63 -13.401 0.237 -1.874 1.00 0.00 O ATOM 908 CB PHE A 63 -11.296 1.927 -1.316 1.00 0.00 C ATOM 909 CG PHE A 63 -10.037 2.534 -0.752 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.630 2.211 0.546 1.00 0.00 C ATOM 911 CD2 PHE A 63 -9.273 3.417 -1.525 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.459 2.769 1.072 1.00 0.00 C ATOM 913 CE2 PHE A 63 -8.103 3.977 -0.999 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.696 3.652 0.300 1.00 0.00 C ATOM 0 H PHE A 63 -10.198 0.905 -3.623 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.692 -0.092 -0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.628 2.493 -2.187 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -12.098 1.975 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.219 1.531 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.587 3.666 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.144 2.518 2.074 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.515 4.659 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.793 4.083 0.707 1.00 0.00 H new ATOM 924 N LYS A 64 -12.206 -1.131 -3.106 1.00 0.00 N ATOM 925 CA LYS A 64 -13.442 -1.764 -3.647 1.00 0.00 C ATOM 926 C LYS A 64 -13.185 -3.232 -3.998 1.00 0.00 C ATOM 927 O LYS A 64 -13.974 -4.098 -3.679 1.00 0.00 O ATOM 928 CB LYS A 64 -13.891 -1.017 -4.904 1.00 0.00 C ATOM 929 CG LYS A 64 -15.275 -1.515 -5.321 1.00 0.00 C ATOM 930 CD LYS A 64 -15.755 -0.736 -6.547 1.00 0.00 C ATOM 931 CE LYS A 64 -16.867 -1.522 -7.244 1.00 0.00 C ATOM 932 NZ LYS A 64 -16.302 -2.775 -7.819 1.00 0.00 N ATOM 0 H LYS A 64 -11.327 -1.511 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.221 -1.713 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.920 0.056 -4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.176 -1.177 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.236 -2.580 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.980 -1.390 -4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.121 0.246 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.925 -0.571 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.659 -1.760 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.316 -0.917 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.853 -3.052 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.311 -2.616 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.347 -3.534 -7.109 1.00 0.00 H new ATOM 946 N ASP A 65 -12.100 -3.523 -4.664 1.00 0.00 N ATOM 947 CA ASP A 65 -11.826 -4.941 -5.039 1.00 0.00 C ATOM 948 C ASP A 65 -10.418 -5.357 -4.599 1.00 0.00 C ATOM 949 O ASP A 65 -9.976 -6.453 -4.880 1.00 0.00 O ATOM 950 CB ASP A 65 -11.947 -5.093 -6.557 1.00 0.00 C ATOM 951 CG ASP A 65 -12.256 -6.552 -6.900 1.00 0.00 C ATOM 952 OD1 ASP A 65 -11.317 -7.313 -7.060 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.427 -6.881 -6.994 1.00 0.00 O ATOM 0 H ASP A 65 -11.397 -2.847 -4.963 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.551 -5.582 -4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.736 -4.444 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.020 -4.783 -7.039 1.00 0.00 H new ATOM 958 N VAL A 66 -9.706 -4.505 -3.912 1.00 0.00 N ATOM 959 CA VAL A 66 -8.338 -4.877 -3.466 1.00 0.00 C ATOM 960 C VAL A 66 -8.328 -4.970 -1.952 1.00 0.00 C ATOM 961 O VAL A 66 -7.550 -5.682 -1.355 1.00 0.00 O ATOM 962 CB VAL A 66 -7.380 -3.782 -3.888 1.00 0.00 C ATOM 963 CG1 VAL A 66 -5.947 -4.176 -3.567 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.496 -3.564 -5.381 1.00 0.00 C ATOM 0 H VAL A 66 -10.014 -3.571 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.044 -5.830 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.634 -2.870 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.272 -3.378 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.846 -4.340 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.694 -5.093 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.808 -2.776 -5.688 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.247 -4.487 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.516 -3.271 -5.628 1.00 0.00 H new ATOM 974 N ALA A 67 -9.173 -4.222 -1.323 1.00 0.00 N ATOM 975 CA ALA A 67 -9.209 -4.235 0.151 1.00 0.00 C ATOM 976 C ALA A 67 -10.591 -3.772 0.626 1.00 0.00 C ATOM 977 O ALA A 67 -10.795 -2.597 0.857 1.00 0.00 O ATOM 978 CB ALA A 67 -8.129 -3.289 0.653 1.00 0.00 C ATOM 0 H ALA A 67 -9.845 -3.598 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.029 -5.238 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.132 -3.278 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.156 -3.626 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.324 -2.284 0.280 1.00 0.00 H new ATOM 984 N PRO A 68 -11.505 -4.710 0.764 1.00 0.00 N ATOM 985 CA PRO A 68 -12.875 -4.405 1.214 1.00 0.00 C ATOM 986 C PRO A 68 -12.884 -4.113 2.718 1.00 0.00 C ATOM 987 O PRO A 68 -13.897 -3.754 3.284 1.00 0.00 O ATOM 988 CB PRO A 68 -13.659 -5.679 0.891 1.00 0.00 C ATOM 989 CG PRO A 68 -12.619 -6.820 0.800 1.00 0.00 C ATOM 990 CD PRO A 68 -11.265 -6.151 0.501 1.00 0.00 C ATOM 0 HA PRO A 68 -13.301 -3.525 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.397 -5.887 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.203 -5.573 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.577 -7.382 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.885 -7.526 0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.476 -6.546 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.956 -6.322 -0.530 1.00 0.00 H new ATOM 998 N CYS A 69 -11.758 -4.259 3.366 1.00 0.00 N ATOM 999 CA CYS A 69 -11.693 -3.988 4.824 1.00 0.00 C ATOM 1000 C CYS A 69 -11.231 -2.542 5.045 1.00 0.00 C ATOM 1001 O CYS A 69 -11.538 -1.923 6.044 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.686 -4.959 5.460 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.003 -4.560 4.906 1.00 0.00 S ATOM 0 H CYS A 69 -10.879 -4.556 2.942 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.674 -4.126 5.280 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.744 -4.896 6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.934 -5.984 5.186 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.374 -3.927 5.851 1.00 0.00 H new ATOM 1008 N THR A 70 -10.479 -2.014 4.116 1.00 0.00 N ATOM 1009 CA THR A 70 -9.973 -0.623 4.263 1.00 0.00 C ATOM 1010 C THR A 70 -11.148 0.355 4.259 1.00 0.00 C ATOM 1011 O THR A 70 -11.029 1.476 4.704 1.00 0.00 O ATOM 1012 CB THR A 70 -9.018 -0.304 3.103 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.688 -0.480 1.858 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.814 -1.244 3.168 1.00 0.00 C ATOM 0 H THR A 70 -10.194 -2.490 3.260 1.00 0.00 H new ATOM 0 HA THR A 70 -9.436 -0.526 5.207 1.00 0.00 H new ATOM 0 HB THR A 70 -8.685 0.731 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.823 -1.436 1.691 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.133 -1.021 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.295 -1.106 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.154 -2.277 3.088 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.285 -0.058 3.771 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.455 0.862 3.760 1.00 0.00 C ATOM 1024 C ASP A 71 -13.785 1.260 5.202 1.00 0.00 C ATOM 1025 O ASP A 71 -14.528 0.589 5.890 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.658 0.158 3.124 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.975 -1.128 3.893 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.157 -1.531 4.704 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.032 -1.689 3.656 1.00 0.00 O ATOM 0 H ASP A 71 -12.453 -0.986 3.382 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.221 1.754 3.178 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.524 0.820 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.445 -0.075 2.081 1.00 0.00 H new ATOM 1034 N SER A 72 -13.226 2.347 5.667 1.00 0.00 N ATOM 1035 CA SER A 72 -13.493 2.792 7.064 1.00 0.00 C ATOM 1036 C SER A 72 -12.817 4.149 7.300 1.00 0.00 C ATOM 1037 O SER A 72 -12.087 4.616 6.448 1.00 0.00 O ATOM 1038 CB SER A 72 -12.929 1.765 8.046 1.00 0.00 C ATOM 1039 OG SER A 72 -14.004 1.111 8.708 1.00 0.00 O ATOM 0 H SER A 72 -12.594 2.947 5.136 1.00 0.00 H new ATOM 0 HA SER A 72 -14.568 2.885 7.218 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.315 1.036 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.283 2.256 8.774 1.00 0.00 H new ATOM 0 HG SER A 72 -14.598 0.704 8.043 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.083 4.748 8.446 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.514 6.065 8.808 1.00 0.00 C ATOM 1047 C PRO A 73 -11.056 5.945 9.278 1.00 0.00 C ATOM 1048 O PRO A 73 -10.406 6.935 9.547 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.409 6.539 9.958 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.054 5.271 10.563 1.00 0.00 C ATOM 1051 CD PRO A 73 -13.975 4.177 9.484 1.00 0.00 C ATOM 0 HA PRO A 73 -12.493 6.752 7.962 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.826 7.074 10.708 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.172 7.228 9.597 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.528 4.962 11.466 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.089 5.461 10.846 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.571 3.249 9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.960 3.947 9.079 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.535 4.754 9.390 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.128 4.606 9.849 1.00 0.00 C ATOM 1061 C GLU A 74 -8.221 4.314 8.654 1.00 0.00 C ATOM 1062 O GLU A 74 -7.061 4.669 8.639 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.031 3.455 10.843 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.909 3.750 12.059 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.296 2.437 12.739 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -10.908 1.610 12.083 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.973 2.279 13.905 1.00 0.00 O ATOM 0 H GLU A 74 -11.021 3.881 9.184 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.812 5.532 10.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.348 2.526 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.996 3.317 11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.374 4.391 12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.804 4.291 11.752 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.744 3.672 7.654 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.923 3.361 6.453 1.00 0.00 C ATOM 1076 C PHE A 75 -8.286 4.368 5.359 1.00 0.00 C ATOM 1077 O PHE A 75 -7.512 5.246 5.020 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.243 1.942 5.979 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.003 1.297 5.412 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.516 1.705 4.168 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.348 0.285 6.124 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.375 1.105 3.632 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.203 -0.318 5.588 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.717 0.092 4.341 1.00 0.00 C ATOM 0 H PHE A 75 -9.710 3.346 7.614 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.860 3.425 6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.624 1.349 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.027 1.970 5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.023 2.486 3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.725 -0.030 7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.000 1.422 2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.696 -1.098 6.136 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.835 -0.373 3.926 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.478 4.275 4.832 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.896 5.249 3.794 1.00 0.00 C ATOM 1096 C TYR A 76 -10.172 6.591 4.472 1.00 0.00 C ATOM 1097 O TYR A 76 -10.220 7.612 3.832 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.163 4.757 3.091 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.350 5.518 1.797 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.275 5.671 0.909 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.597 6.071 1.486 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.450 6.376 -0.290 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.772 6.777 0.289 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.699 6.929 -0.599 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.874 7.622 -1.779 1.00 0.00 O ATOM 0 H TYR A 76 -10.173 3.570 5.076 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.106 5.358 3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.088 3.688 2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.029 4.899 3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.312 5.245 1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.425 5.953 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.623 6.493 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.735 7.204 0.050 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.832 7.730 -1.956 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.349 6.589 5.770 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.597 7.863 6.501 1.00 0.00 C ATOM 1117 C GLY A 77 -9.365 8.755 6.399 1.00 0.00 C ATOM 1118 O GLY A 77 -9.413 9.850 5.875 1.00 0.00 O ATOM 0 H GLY A 77 -10.332 5.753 6.355 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.464 8.373 6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.824 7.656 7.547 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.258 8.289 6.913 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.010 9.106 6.866 1.00 0.00 C ATOM 1124 C LYS A 78 -6.571 9.296 5.421 1.00 0.00 C ATOM 1125 O LYS A 78 -5.756 10.137 5.121 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.902 8.419 7.677 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.491 7.764 8.941 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.571 8.665 9.561 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.434 8.667 11.084 1.00 0.00 C ATOM 1130 NZ LYS A 78 -7.249 10.067 11.561 1.00 0.00 N ATOM 0 H LYS A 78 -8.164 7.379 7.363 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.206 10.085 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.409 7.664 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.142 9.148 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.919 6.794 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.698 7.584 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.474 9.681 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.561 8.309 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.322 8.229 11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.585 8.053 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.156 10.071 12.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.390 10.469 11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.072 10.639 11.285 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.113 8.529 4.523 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.754 8.683 3.099 1.00 0.00 C ATOM 1146 C PHE A 79 -7.594 9.814 2.520 1.00 0.00 C ATOM 1147 O PHE A 79 -7.130 10.590 1.723 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.055 7.372 2.381 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.977 7.536 0.878 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.040 8.134 0.190 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.858 7.073 0.168 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.988 8.266 -1.202 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.810 7.210 -1.218 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.873 7.802 -1.903 1.00 0.00 C ATOM 0 H PHE A 79 -7.795 7.797 4.720 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.697 8.919 2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.347 6.608 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.049 7.023 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.901 8.494 0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.036 6.612 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.808 8.726 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.948 6.857 -1.764 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.833 7.901 -2.978 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.817 9.927 2.943 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.673 11.020 2.453 1.00 0.00 C ATOM 1166 C LYS A 80 -9.285 12.300 3.193 1.00 0.00 C ATOM 1167 O LYS A 80 -9.710 13.386 2.849 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.141 10.690 2.726 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.764 10.063 1.479 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.001 11.147 0.426 1.00 0.00 C ATOM 1171 CE LYS A 80 -12.925 10.603 -0.666 1.00 0.00 C ATOM 1172 NZ LYS A 80 -13.429 11.728 -1.503 1.00 0.00 N ATOM 0 H LYS A 80 -9.259 9.299 3.614 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.538 11.150 1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.220 10.003 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.683 11.595 3.000 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.106 9.291 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.706 9.578 1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.446 12.028 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.052 11.461 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.387 9.887 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.762 10.069 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.056 11.355 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.957 12.396 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.626 12.219 -1.944 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.462 12.174 4.204 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.021 13.375 4.962 1.00 0.00 C ATOM 1188 C GLU A 81 -6.684 13.817 4.387 1.00 0.00 C ATOM 1189 O GLU A 81 -6.422 14.987 4.205 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.861 13.023 6.443 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.113 12.294 6.933 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.847 13.165 7.954 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -9.221 13.561 8.923 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -11.022 13.419 7.752 1.00 0.00 O ATOM 0 H GLU A 81 -8.078 11.288 4.534 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.757 14.175 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.982 12.394 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.703 13.929 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.769 12.071 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.838 11.341 7.384 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.852 12.870 4.067 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.534 13.202 3.461 1.00 0.00 C ATOM 1203 C GLY A 82 -4.807 13.831 2.100 1.00 0.00 C ATOM 1204 O GLY A 82 -4.196 14.805 1.709 1.00 0.00 O ATOM 0 H GLY A 82 -6.028 11.874 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.980 13.891 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.923 12.306 3.355 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.744 13.274 1.383 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.101 13.825 0.044 1.00 0.00 C ATOM 1210 C VAL A 83 -6.568 15.280 0.194 1.00 0.00 C ATOM 1211 O VAL A 83 -6.258 16.128 -0.620 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.247 13.001 -0.559 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.622 13.568 -1.929 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.819 11.538 -0.716 1.00 0.00 C ATOM 0 H VAL A 83 -6.281 12.455 1.669 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.227 13.781 -0.605 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.107 13.053 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.436 12.981 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.941 14.605 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.757 13.523 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.640 10.963 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.953 11.481 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.560 11.128 0.260 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.332 15.566 1.213 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.849 16.956 1.401 1.00 0.00 C ATOM 1226 C ALA A 84 -6.962 17.761 2.359 1.00 0.00 C ATOM 1227 O ALA A 84 -7.249 18.904 2.657 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.258 16.881 1.980 1.00 0.00 C ATOM 0 H ALA A 84 -7.622 14.897 1.926 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.849 17.457 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.647 17.889 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.905 16.336 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.230 16.364 2.939 1.00 0.00 H new ATOM 1234 N SER A 85 -5.904 17.188 2.856 1.00 0.00 N ATOM 1235 CA SER A 85 -5.034 17.949 3.802 1.00 0.00 C ATOM 1236 C SER A 85 -3.733 18.359 3.108 1.00 0.00 C ATOM 1237 O SER A 85 -3.051 19.267 3.540 1.00 0.00 O ATOM 1238 CB SER A 85 -4.715 17.079 5.018 1.00 0.00 C ATOM 1239 OG SER A 85 -4.163 17.891 6.045 1.00 0.00 O ATOM 0 H SER A 85 -5.603 16.235 2.653 1.00 0.00 H new ATOM 0 HA SER A 85 -5.561 18.847 4.125 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.620 16.587 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.012 16.293 4.743 1.00 0.00 H new ATOM 0 HG SER A 85 -3.959 17.336 6.827 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.379 17.703 2.038 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.118 18.069 1.334 1.00 0.00 C ATOM 1247 C GLY A 86 -0.930 17.455 2.075 1.00 0.00 C ATOM 1248 O GLY A 86 0.178 17.952 2.015 1.00 0.00 O ATOM 0 H GLY A 86 -3.905 16.934 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.145 17.710 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.014 19.153 1.291 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.155 16.378 2.777 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.045 15.728 3.526 1.00 0.00 C ATOM 1254 C ASN A 87 -0.506 14.357 4.019 1.00 0.00 C ATOM 1255 O ASN A 87 -0.659 14.128 5.203 1.00 0.00 O ATOM 1256 CB ASN A 87 0.338 16.598 4.723 1.00 0.00 C ATOM 1257 CG ASN A 87 1.856 16.581 4.900 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.384 15.772 5.638 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.586 17.445 4.249 1.00 0.00 N ATOM 0 H ASN A 87 -2.062 15.920 2.864 1.00 0.00 H new ATOM 0 HA ASN A 87 0.819 15.610 2.872 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.010 17.620 4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.148 16.228 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.600 17.442 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.143 18.124 3.630 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.736 13.443 3.118 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.196 12.087 3.529 1.00 0.00 C ATOM 1268 C LEU A 88 -0.053 11.328 4.201 1.00 0.00 C ATOM 1269 O LEU A 88 0.950 11.027 3.588 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.664 11.314 2.296 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.681 10.255 2.719 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.936 10.378 1.854 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.073 8.864 2.537 1.00 0.00 C ATOM 0 H LEU A 88 -0.625 13.577 2.113 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.021 12.188 4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.112 11.996 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.813 10.842 1.804 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.945 10.403 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.661 9.622 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.370 11.370 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.672 10.230 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.798 8.108 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.809 8.716 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.178 8.775 3.153 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.204 11.012 5.461 1.00 0.00 N ATOM 1286 CA ASN A 89 0.863 10.257 6.177 1.00 0.00 C ATOM 1287 C ASN A 89 0.284 9.635 7.449 1.00 0.00 C ATOM 1288 O ASN A 89 0.321 10.228 8.509 1.00 0.00 O ATOM 1289 CB ASN A 89 2.010 11.200 6.545 1.00 0.00 C ATOM 1290 CG ASN A 89 3.144 10.393 7.182 1.00 0.00 C ATOM 1291 OD1 ASN A 89 2.967 9.241 7.524 1.00 0.00 O ATOM 1292 ND2 ASN A 89 4.309 10.953 7.354 1.00 0.00 N ATOM 0 H ASN A 89 -1.022 11.245 6.024 1.00 0.00 H new ATOM 0 HA ASN A 89 1.242 9.469 5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.371 11.717 5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.659 11.965 7.238 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.072 10.424 7.776 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.457 11.920 7.067 1.00 0.00 H new ATOM 1299 N THR A 90 -0.253 8.448 7.361 1.00 0.00 N ATOM 1300 CA THR A 90 -0.828 7.808 8.576 1.00 0.00 C ATOM 1301 C THR A 90 -0.266 6.393 8.737 1.00 0.00 C ATOM 1302 O THR A 90 0.365 5.854 7.849 1.00 0.00 O ATOM 1303 CB THR A 90 -2.352 7.741 8.446 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.887 7.027 9.552 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.722 7.026 7.150 1.00 0.00 C ATOM 0 H THR A 90 -0.318 7.897 6.505 1.00 0.00 H new ATOM 0 HA THR A 90 -0.562 8.400 9.452 1.00 0.00 H new ATOM 0 HB THR A 90 -2.762 8.751 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.712 6.573 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.807 6.978 7.058 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.309 7.573 6.302 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.314 6.015 7.163 1.00 0.00 H new ATOM 1313 N MET A 91 -0.491 5.793 9.873 1.00 0.00 N ATOM 1314 CA MET A 91 0.021 4.415 10.123 1.00 0.00 C ATOM 1315 C MET A 91 -0.857 3.748 11.180 1.00 0.00 C ATOM 1316 O MET A 91 -1.429 4.404 12.028 1.00 0.00 O ATOM 1317 CB MET A 91 1.464 4.496 10.630 1.00 0.00 C ATOM 1318 CG MET A 91 2.111 3.111 10.572 1.00 0.00 C ATOM 1319 SD MET A 91 3.363 2.976 11.873 1.00 0.00 S ATOM 1320 CE MET A 91 2.667 1.529 12.708 1.00 0.00 C ATOM 0 H MET A 91 -1.013 6.203 10.647 1.00 0.00 H new ATOM 0 HA MET A 91 -0.005 3.833 9.202 1.00 0.00 H new ATOM 0 HB2 MET A 91 2.034 5.200 10.023 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.479 4.872 11.653 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.353 2.338 10.700 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.567 2.951 9.595 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.293 1.265 13.560 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.660 1.759 13.055 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.629 0.691 12.012 1.00 0.00 H new ATOM 1330 N PHE A 92 -0.972 2.453 11.136 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.816 1.746 12.137 1.00 0.00 C ATOM 1332 C PHE A 92 -1.645 0.237 11.975 1.00 0.00 C ATOM 1333 O PHE A 92 -0.871 -0.231 11.169 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.288 2.118 11.931 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.638 2.086 10.459 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.444 3.223 9.671 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.168 0.924 9.886 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.778 3.201 8.311 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.506 0.901 8.527 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.312 2.040 7.739 1.00 0.00 C ATOM 0 H PHE A 92 -0.517 1.851 10.449 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.507 2.042 13.139 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.925 1.424 12.478 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.479 3.112 12.335 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.036 4.121 10.111 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.317 0.043 10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.624 4.080 7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.916 0.004 8.088 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.574 2.024 6.691 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.370 -0.528 12.733 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.261 -2.006 12.612 1.00 0.00 C ATOM 1352 C GLU A 93 -3.571 -2.531 12.033 1.00 0.00 C ATOM 1353 O GLU A 93 -4.557 -2.670 12.729 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.012 -2.618 13.991 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.954 -4.143 13.874 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.153 -4.715 15.046 1.00 0.00 C ATOM 1357 OE1 GLU A 93 0.065 -4.692 14.972 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -1.769 -5.166 15.997 1.00 0.00 O ATOM 0 H GLU A 93 -3.034 -0.196 13.432 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.430 -2.276 11.960 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.077 -2.239 14.405 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.806 -2.326 14.678 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.962 -4.557 13.873 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.491 -4.429 12.929 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.595 -2.808 10.761 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.852 -3.303 10.138 1.00 0.00 C ATOM 1367 C TYR A 94 -4.793 -4.822 10.004 1.00 0.00 C ATOM 1368 O TYR A 94 -3.815 -5.450 10.358 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.016 -2.676 8.752 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.433 -2.184 8.580 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.939 -1.196 9.434 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.241 -2.717 7.569 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.253 -0.741 9.275 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.556 -2.261 7.410 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.061 -1.273 8.264 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.356 -0.824 8.108 1.00 0.00 O ATOM 0 H TYR A 94 -2.801 -2.714 10.127 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.699 -3.027 10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.317 -1.849 8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.779 -3.409 7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.316 -0.786 10.215 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.851 -3.480 6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.644 0.021 9.933 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.180 -2.671 6.629 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.778 -1.296 7.360 1.00 0.00 H new ATOM 1386 N THR A 95 -5.830 -5.416 9.490 1.00 0.00 N ATOM 1387 CA THR A 95 -5.831 -6.891 9.327 1.00 0.00 C ATOM 1388 C THR A 95 -6.568 -7.255 8.042 1.00 0.00 C ATOM 1389 O THR A 95 -7.779 -7.194 7.968 1.00 0.00 O ATOM 1390 CB THR A 95 -6.529 -7.549 10.514 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.986 -7.043 11.726 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.316 -9.059 10.442 1.00 0.00 C ATOM 0 H THR A 95 -6.677 -4.943 9.176 1.00 0.00 H new ATOM 0 HA THR A 95 -4.802 -7.246 9.277 1.00 0.00 H new ATOM 0 HB THR A 95 -7.596 -7.329 10.484 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.436 -7.465 12.487 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.812 -9.537 11.287 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.735 -9.442 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.249 -9.278 10.476 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.848 -7.642 7.032 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.512 -8.020 5.754 1.00 0.00 C ATOM 1402 C PHE A 96 -7.035 -9.448 5.884 1.00 0.00 C ATOM 1403 O PHE A 96 -6.278 -10.395 5.942 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.507 -7.938 4.595 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.930 -6.535 4.471 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.546 -5.438 5.100 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.770 -6.336 3.714 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.000 -4.156 4.968 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.225 -5.052 3.584 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.840 -3.963 4.210 1.00 0.00 C ATOM 0 H PHE A 96 -4.831 -7.714 7.033 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.336 -7.337 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.701 -8.654 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.998 -8.217 3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.441 -5.585 5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.293 -7.175 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.475 -3.315 5.452 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.329 -4.903 3.000 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.420 -2.973 4.108 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.327 -9.608 5.941 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.897 -10.973 6.082 1.00 0.00 C ATOM 1422 C ASP A 97 -10.059 -11.142 5.109 1.00 0.00 C ATOM 1423 O ASP A 97 -11.084 -11.700 5.441 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.394 -11.174 7.514 1.00 0.00 C ATOM 1425 CG ASP A 97 -10.339 -10.031 7.891 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -10.850 -9.389 6.988 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -10.537 -9.817 9.076 1.00 0.00 O ATOM 0 H ASP A 97 -9.011 -8.853 5.896 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.128 -11.713 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.910 -12.130 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.550 -11.204 8.203 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.896 -10.687 3.901 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.983 -10.849 2.900 1.00 0.00 C ATOM 1434 C TYR A 98 -10.935 -12.295 2.422 1.00 0.00 C ATOM 1435 O TYR A 98 -9.859 -12.819 2.246 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.745 -9.896 1.716 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.425 -10.222 1.039 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -9.324 -11.343 0.205 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.304 -9.409 1.250 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.110 -11.652 -0.413 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.084 -9.717 0.625 1.00 0.00 C ATOM 1442 CZ TYR A 98 -6.991 -10.839 -0.206 1.00 0.00 C ATOM 1443 OH TYR A 98 -5.794 -11.146 -0.817 1.00 0.00 O ATOM 0 H TYR A 98 -9.059 -10.211 3.564 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.955 -10.615 3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.561 -9.984 0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.738 -8.864 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.187 -11.970 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.378 -8.545 1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.035 -12.520 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.220 -9.089 0.786 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.846 -12.044 -1.206 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.087 -12.934 2.236 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.169 -14.384 1.778 1.00 0.00 C ATOM 1455 C GLN A 99 -10.777 -15.011 1.620 1.00 0.00 C ATOM 1456 O GLN A 99 -10.321 -15.295 0.530 1.00 0.00 O ATOM 1457 CB GLN A 99 -12.925 -14.461 0.443 1.00 0.00 C ATOM 1458 CG GLN A 99 -12.445 -13.363 -0.514 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.630 -12.845 -1.331 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -13.985 -11.686 -1.241 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.264 -13.660 -2.130 1.00 0.00 N ATOM 0 H GLN A 99 -12.997 -12.499 2.387 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.703 -14.947 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.772 -15.440 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -13.996 -14.355 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -11.993 -12.547 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.675 -13.756 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -13.967 -14.633 -2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -15.056 -13.324 -2.678 1.00 0.00 H new ATOM 1470 N MET A 100 -10.090 -15.175 2.718 1.00 0.00 N ATOM 1471 CA MET A 100 -8.706 -15.720 2.678 1.00 0.00 C ATOM 1472 C MET A 100 -8.202 -15.866 4.119 1.00 0.00 C ATOM 1473 O MET A 100 -8.903 -15.554 5.061 1.00 0.00 O ATOM 1474 CB MET A 100 -7.808 -14.720 1.929 1.00 0.00 C ATOM 1475 CG MET A 100 -6.558 -15.428 1.395 1.00 0.00 C ATOM 1476 SD MET A 100 -5.083 -14.769 2.219 1.00 0.00 S ATOM 1477 CE MET A 100 -5.145 -13.094 1.530 1.00 0.00 C ATOM 0 H MET A 100 -10.435 -14.951 3.652 1.00 0.00 H new ATOM 0 HA MET A 100 -8.687 -16.687 2.175 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.361 -14.271 1.104 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.518 -13.909 2.597 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.634 -16.501 1.569 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.479 -15.284 0.317 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.319 -12.505 1.930 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.063 -13.144 0.444 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.090 -12.624 1.801 1.00 0.00 H new ATOM 1487 N THR A 101 -6.995 -16.320 4.301 1.00 0.00 N ATOM 1488 CA THR A 101 -6.459 -16.460 5.686 1.00 0.00 C ATOM 1489 C THR A 101 -6.337 -15.064 6.321 1.00 0.00 C ATOM 1490 O THR A 101 -6.358 -14.072 5.618 1.00 0.00 O ATOM 1491 CB THR A 101 -5.081 -17.125 5.630 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.393 -16.688 4.467 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.249 -18.645 5.585 1.00 0.00 C ATOM 0 H THR A 101 -6.357 -16.600 3.556 1.00 0.00 H new ATOM 0 HA THR A 101 -7.131 -17.075 6.285 1.00 0.00 H new ATOM 0 HB THR A 101 -4.508 -16.851 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.741 -15.815 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.268 -19.118 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.777 -18.979 6.478 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.822 -18.922 4.700 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.212 -15.017 7.632 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.088 -13.741 8.364 1.00 0.00 C ATOM 1503 C PRO A 102 -4.671 -13.178 8.220 1.00 0.00 C ATOM 1504 O PRO A 102 -3.713 -13.914 8.099 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.380 -14.125 9.817 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.100 -15.642 9.932 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.182 -16.214 8.504 1.00 0.00 C ATOM 0 HA PRO A 102 -6.761 -12.968 7.993 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.748 -13.560 10.503 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.414 -13.900 10.078 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.117 -15.823 10.366 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.829 -16.122 10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.324 -16.848 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.074 -16.826 8.371 1.00 0.00 H new ATOM 1515 N THR A 103 -4.531 -11.879 8.227 1.00 0.00 N ATOM 1516 CA THR A 103 -3.173 -11.283 8.084 1.00 0.00 C ATOM 1517 C THR A 103 -3.115 -9.928 8.795 1.00 0.00 C ATOM 1518 O THR A 103 -3.792 -8.993 8.427 1.00 0.00 O ATOM 1519 CB THR A 103 -2.853 -11.095 6.584 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.499 -12.352 6.023 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.687 -10.104 6.385 1.00 0.00 C ATOM 0 H THR A 103 -5.294 -11.209 8.325 1.00 0.00 H new ATOM 0 HA THR A 103 -2.439 -11.951 8.536 1.00 0.00 H new ATOM 0 HB THR A 103 -3.736 -10.692 6.089 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.715 -13.066 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.483 -9.991 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.956 -9.136 6.808 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.797 -10.484 6.886 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.267 -9.803 9.773 1.00 0.00 N ATOM 1530 CA LYS A 104 -2.118 -8.492 10.453 1.00 0.00 C ATOM 1531 C LYS A 104 -0.941 -7.801 9.778 1.00 0.00 C ATOM 1532 O LYS A 104 0.008 -8.453 9.385 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.825 -8.697 11.940 1.00 0.00 C ATOM 1534 CG LYS A 104 -2.578 -7.647 12.758 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.546 -8.034 14.239 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.818 -8.806 14.594 1.00 0.00 C ATOM 1537 NZ LYS A 104 -4.625 -8.013 15.565 1.00 0.00 N ATOM 0 H LYS A 104 -1.672 -10.550 10.130 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.029 -7.898 10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.128 -9.698 12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.754 -8.618 12.125 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.123 -6.666 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.609 -7.573 12.413 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.668 -8.645 14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.466 -7.140 14.857 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.401 -9.001 13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.561 -9.774 15.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.490 -8.537 15.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.067 -7.848 16.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.881 -7.100 15.139 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.986 -6.512 9.590 1.00 0.00 N ATOM 1552 CA VAL A 105 0.151 -5.863 8.884 1.00 0.00 C ATOM 1553 C VAL A 105 0.462 -4.478 9.435 1.00 0.00 C ATOM 1554 O VAL A 105 -0.414 -3.711 9.801 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.209 -5.707 7.402 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.408 -7.085 6.768 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.499 -4.890 7.274 1.00 0.00 C ATOM 0 H VAL A 105 -1.741 -5.893 9.886 1.00 0.00 H new ATOM 0 HA VAL A 105 1.027 -6.496 9.027 1.00 0.00 H new ATOM 0 HB VAL A 105 0.601 -5.191 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.664 -6.968 5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.512 -7.662 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.215 -7.608 7.281 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.756 -4.778 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.308 -5.404 7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.352 -3.905 7.718 1.00 0.00 H new ATOM 1567 N LYS A 106 1.721 -4.141 9.407 1.00 0.00 N ATOM 1568 CA LYS A 106 2.166 -2.795 9.824 1.00 0.00 C ATOM 1569 C LYS A 106 1.856 -1.906 8.639 1.00 0.00 C ATOM 1570 O LYS A 106 2.614 -1.862 7.710 1.00 0.00 O ATOM 1571 CB LYS A 106 3.685 -2.814 10.028 1.00 0.00 C ATOM 1572 CG LYS A 106 4.038 -2.475 11.468 1.00 0.00 C ATOM 1573 CD LYS A 106 4.547 -3.742 12.158 1.00 0.00 C ATOM 1574 CE LYS A 106 4.302 -3.643 13.666 1.00 0.00 C ATOM 1575 NZ LYS A 106 5.276 -2.690 14.269 1.00 0.00 N ATOM 0 H LYS A 106 2.472 -4.761 9.105 1.00 0.00 H new ATOM 0 HA LYS A 106 1.687 -2.463 10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.079 -3.798 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.156 -2.098 9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.800 -1.696 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.164 -2.085 11.990 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.038 -4.617 11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.611 -3.873 11.961 1.00 0.00 H new ATOM 0 HE2 LYS A 106 3.283 -3.307 13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.406 -4.625 14.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 5.108 -2.624 15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.244 -3.029 14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 5.156 -1.751 13.837 1.00 0.00 H new ATOM 1589 N VAL A 107 0.743 -1.244 8.617 1.00 0.00 N ATOM 1590 CA VAL A 107 0.425 -0.425 7.423 1.00 0.00 C ATOM 1591 C VAL A 107 1.018 0.968 7.570 1.00 0.00 C ATOM 1592 O VAL A 107 1.189 1.480 8.658 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.094 -0.304 7.293 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.723 -1.681 7.135 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.633 0.360 8.550 1.00 0.00 C ATOM 0 H VAL A 107 0.047 -1.232 9.362 1.00 0.00 H new ATOM 0 HA VAL A 107 0.846 -0.904 6.539 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.339 0.291 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.804 -1.579 7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.327 -2.161 6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.489 -2.290 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.716 0.455 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.381 -0.248 9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.189 1.349 8.658 1.00 0.00 H new ATOM 1605 N HIS A 108 1.309 1.587 6.472 1.00 0.00 N ATOM 1606 CA HIS A 108 1.866 2.961 6.513 1.00 0.00 C ATOM 1607 C HIS A 108 1.645 3.586 5.145 1.00 0.00 C ATOM 1608 O HIS A 108 2.387 3.343 4.231 1.00 0.00 O ATOM 1609 CB HIS A 108 3.362 2.910 6.825 1.00 0.00 C ATOM 1610 CG HIS A 108 3.852 4.304 7.094 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.117 4.565 7.600 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.250 5.527 6.938 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.232 5.900 7.730 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.123 6.534 7.340 1.00 0.00 N ATOM 0 H HIS A 108 1.185 1.199 5.537 1.00 0.00 H new ATOM 0 HA HIS A 108 1.376 3.549 7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.545 2.273 7.690 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.907 2.474 5.988 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.250 5.685 6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.114 6.398 8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.952 7.540 7.337 1.00 0.00 H new ATOM 1622 N MET A 109 0.613 4.363 4.987 1.00 0.00 N ATOM 1623 CA MET A 109 0.341 4.968 3.646 1.00 0.00 C ATOM 1624 C MET A 109 0.700 6.454 3.679 1.00 0.00 C ATOM 1625 O MET A 109 0.474 7.121 4.667 1.00 0.00 O ATOM 1626 CB MET A 109 -1.153 4.827 3.266 1.00 0.00 C ATOM 1627 CG MET A 109 -1.888 3.775 4.132 1.00 0.00 C ATOM 1628 SD MET A 109 -3.036 4.618 5.245 1.00 0.00 S ATOM 1629 CE MET A 109 -4.462 4.636 4.132 1.00 0.00 C ATOM 0 H MET A 109 -0.053 4.607 5.720 1.00 0.00 H new ATOM 0 HA MET A 109 0.945 4.444 2.906 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.646 5.793 3.377 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.233 4.548 2.215 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.429 3.075 3.495 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.168 3.192 4.706 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.664 5.659 3.816 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.249 4.022 3.257 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.334 4.238 4.651 1.00 0.00 H new ATOM 1639 N LYS A 110 1.255 6.993 2.617 1.00 0.00 N ATOM 1640 CA LYS A 110 1.599 8.446 2.648 1.00 0.00 C ATOM 1641 C LYS A 110 1.111 9.111 1.362 1.00 0.00 C ATOM 1642 O LYS A 110 0.276 8.581 0.658 1.00 0.00 O ATOM 1643 CB LYS A 110 3.117 8.605 2.788 1.00 0.00 C ATOM 1644 CG LYS A 110 3.449 9.759 3.740 1.00 0.00 C ATOM 1645 CD LYS A 110 4.959 9.793 3.990 1.00 0.00 C ATOM 1646 CE LYS A 110 5.457 11.238 3.935 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.908 11.278 4.276 1.00 0.00 N ATOM 0 H LYS A 110 1.479 6.501 1.752 1.00 0.00 H new ATOM 0 HA LYS A 110 1.113 8.924 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.553 7.679 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.561 8.793 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.119 10.705 3.311 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.916 9.633 4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.186 9.356 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.475 9.191 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.295 11.652 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.891 11.855 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.246 12.261 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.050 10.899 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.441 10.702 3.594 1.00 0.00 H new ATOM 1661 N LYS A 111 1.614 10.270 1.052 1.00 0.00 N ATOM 1662 CA LYS A 111 1.171 10.966 -0.185 1.00 0.00 C ATOM 1663 C LYS A 111 2.320 10.978 -1.191 1.00 0.00 C ATOM 1664 O LYS A 111 3.209 11.804 -1.119 1.00 0.00 O ATOM 1665 CB LYS A 111 0.775 12.407 0.149 1.00 0.00 C ATOM 1666 CG LYS A 111 1.836 13.033 1.058 1.00 0.00 C ATOM 1667 CD LYS A 111 2.035 14.503 0.681 1.00 0.00 C ATOM 1668 CE LYS A 111 3.295 15.036 1.366 1.00 0.00 C ATOM 1669 NZ LYS A 111 3.325 16.524 1.276 1.00 0.00 N ATOM 0 H LYS A 111 2.314 10.767 1.603 1.00 0.00 H new ATOM 0 HA LYS A 111 0.313 10.445 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.677 12.990 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.197 12.423 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.529 12.953 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.777 12.492 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.125 14.604 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.167 15.089 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.312 14.725 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.183 14.616 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.182 16.883 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.329 16.811 0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.485 16.917 1.746 1.00 0.00 H new ATOM 1683 N ALA A 112 2.315 10.073 -2.133 1.00 0.00 N ATOM 1684 CA ALA A 112 3.413 10.047 -3.140 1.00 0.00 C ATOM 1685 C ALA A 112 3.558 11.435 -3.764 1.00 0.00 C ATOM 1686 O ALA A 112 2.614 11.982 -4.301 1.00 0.00 O ATOM 1687 CB ALA A 112 3.082 9.044 -4.238 1.00 0.00 C ATOM 0 H ALA A 112 1.601 9.354 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 112 4.343 9.758 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.888 9.029 -4.972 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.969 8.051 -3.802 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.152 9.333 -4.727 1.00 0.00 H new ATOM 1693 N LEU A 113 4.722 12.012 -3.704 1.00 0.00 N ATOM 1694 CA LEU A 113 4.898 13.361 -4.301 1.00 0.00 C ATOM 1695 C LEU A 113 5.811 13.268 -5.525 1.00 0.00 C ATOM 1696 O LEU A 113 5.836 14.153 -6.357 1.00 0.00 O ATOM 1697 CB LEU A 113 5.516 14.304 -3.267 1.00 0.00 C ATOM 1698 CG LEU A 113 4.961 15.716 -3.466 1.00 0.00 C ATOM 1699 CD1 LEU A 113 3.528 15.783 -2.934 1.00 0.00 C ATOM 1700 CD2 LEU A 113 5.834 16.718 -2.706 1.00 0.00 C ATOM 0 H LEU A 113 5.554 11.612 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 113 3.926 13.749 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.292 13.953 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.601 14.311 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 113 4.965 15.961 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.134 16.789 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.906 15.070 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.522 15.538 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.440 17.724 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.830 16.472 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.855 16.672 -3.085 1.00 0.00 H new ATOM 1742 N SER A 117 0.466 10.055 -6.195 1.00 0.00 N ATOM 1743 CA SER A 117 -0.721 10.563 -5.432 1.00 0.00 C ATOM 1744 C SER A 117 -0.766 9.984 -4.005 1.00 0.00 C ATOM 1745 O SER A 117 -0.325 10.609 -3.059 1.00 0.00 O ATOM 1746 CB SER A 117 -2.012 10.176 -6.162 1.00 0.00 C ATOM 1747 OG SER A 117 -2.480 11.291 -6.911 1.00 0.00 O ATOM 0 HA SER A 117 -0.631 11.647 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.829 9.329 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.769 9.862 -5.444 1.00 0.00 H new ATOM 0 HG SER A 117 -3.305 11.047 -7.381 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.339 8.815 -3.836 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.467 8.219 -2.462 1.00 0.00 C ATOM 1755 C TYR A 118 -0.929 6.784 -2.458 1.00 0.00 C ATOM 1756 O TYR A 118 -1.338 5.969 -3.257 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.962 8.182 -2.093 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.605 9.476 -2.483 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.446 10.608 -1.685 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.358 9.538 -3.657 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.045 11.809 -2.062 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.956 10.734 -4.034 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.804 11.876 -3.238 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.398 13.064 -3.610 1.00 0.00 O ATOM 0 H TYR A 118 -1.725 8.246 -4.589 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.900 8.817 -1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.453 7.352 -2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.079 8.014 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.861 10.555 -0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.475 8.657 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.924 12.689 -1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.539 10.783 -4.942 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.042 13.794 -3.061 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.029 6.449 -1.563 1.00 0.00 N ATOM 1775 CA TRP A 119 0.482 5.051 -1.555 1.00 0.00 C ATOM 1776 C TRP A 119 0.332 4.388 -0.188 1.00 0.00 C ATOM 1777 O TRP A 119 0.387 5.015 0.841 1.00 0.00 O ATOM 1778 CB TRP A 119 1.919 4.992 -2.081 1.00 0.00 C ATOM 1779 CG TRP A 119 2.849 5.893 -1.348 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.399 7.009 -1.842 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.397 5.721 -0.040 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.262 7.544 -0.903 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.293 6.772 0.237 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.187 4.754 0.913 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 4.974 6.842 1.447 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.864 4.805 2.137 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.760 5.847 2.405 1.00 0.00 C ATOM 0 H TRP A 119 0.363 7.070 -0.855 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.138 4.469 -2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.284 3.967 -2.009 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.923 5.258 -3.138 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.200 7.425 -2.819 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.804 8.398 -1.037 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.495 3.949 0.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.659 7.654 1.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.695 4.038 2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.284 5.882 3.349 1.00 0.00 H new ATOM 1798 N VAL A 120 0.098 3.100 -0.198 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.103 2.343 1.068 1.00 0.00 C ATOM 1800 C VAL A 120 0.907 1.197 1.157 1.00 0.00 C ATOM 1801 O VAL A 120 0.893 0.287 0.352 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.515 1.746 1.070 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.782 1.064 2.412 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.545 2.856 0.838 1.00 0.00 C ATOM 0 H VAL A 120 0.037 2.535 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 120 0.032 3.017 1.914 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.597 1.010 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.786 0.640 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.053 0.269 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.698 1.796 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.548 2.428 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.465 3.598 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.356 3.333 -0.124 1.00 0.00 H new ATOM 1814 N PHE A 121 1.763 1.210 2.141 1.00 0.00 N ATOM 1815 CA PHE A 121 2.739 0.096 2.279 1.00 0.00 C ATOM 1816 C PHE A 121 2.244 -0.851 3.352 1.00 0.00 C ATOM 1817 O PHE A 121 2.062 -0.473 4.492 1.00 0.00 O ATOM 1818 CB PHE A 121 4.138 0.623 2.653 1.00 0.00 C ATOM 1819 CG PHE A 121 4.608 1.634 1.614 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.986 1.712 0.353 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.662 2.502 1.915 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.416 2.652 -0.589 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.089 3.444 0.971 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.464 3.520 -0.278 1.00 0.00 C ATOM 0 H PHE A 121 1.828 1.940 2.851 1.00 0.00 H new ATOM 0 HA PHE A 121 2.823 -0.422 1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.109 1.088 3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.844 -0.205 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.173 1.043 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.148 2.446 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.938 2.706 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.903 4.113 1.208 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.792 4.251 -1.002 1.00 0.00 H new ATOM 1834 N VAL A 122 2.014 -2.078 3.004 1.00 0.00 N ATOM 1835 CA VAL A 122 1.537 -3.035 4.017 1.00 0.00 C ATOM 1836 C VAL A 122 2.693 -3.961 4.383 1.00 0.00 C ATOM 1837 O VAL A 122 3.134 -4.785 3.607 1.00 0.00 O ATOM 1838 CB VAL A 122 0.326 -3.816 3.465 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.323 -5.274 3.948 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.951 -3.135 3.949 1.00 0.00 C ATOM 0 H VAL A 122 2.136 -2.456 2.064 1.00 0.00 H new ATOM 0 HA VAL A 122 1.205 -2.517 4.917 1.00 0.00 H new ATOM 0 HB VAL A 122 0.385 -3.819 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.545 -5.791 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.233 -5.770 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.278 -5.296 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.818 -3.674 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.973 -3.136 5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.975 -2.107 3.587 1.00 0.00 H new ATOM 1850 N LYS A 123 3.160 -3.830 5.573 1.00 0.00 N ATOM 1851 CA LYS A 123 4.270 -4.691 6.044 1.00 0.00 C ATOM 1852 C LYS A 123 3.648 -5.898 6.734 1.00 0.00 C ATOM 1853 O LYS A 123 2.541 -5.830 7.214 1.00 0.00 O ATOM 1854 CB LYS A 123 5.137 -3.903 7.028 1.00 0.00 C ATOM 1855 CG LYS A 123 6.515 -4.555 7.145 1.00 0.00 C ATOM 1856 CD LYS A 123 7.448 -3.960 6.091 1.00 0.00 C ATOM 1857 CE LYS A 123 8.713 -3.419 6.762 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.442 -4.536 7.427 1.00 0.00 N ATOM 0 H LYS A 123 2.820 -3.154 6.257 1.00 0.00 H new ATOM 0 HA LYS A 123 4.899 -5.014 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.240 -2.872 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.656 -3.871 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.923 -4.392 8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.433 -5.633 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.712 -4.720 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.940 -3.159 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.355 -2.943 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.450 -2.656 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.450 -4.294 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.048 -4.691 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.337 -5.403 6.863 1.00 0.00 H new ATOM 1872 N ARG A 124 4.322 -7.005 6.788 1.00 0.00 N ATOM 1873 CA ARG A 124 3.702 -8.186 7.456 1.00 0.00 C ATOM 1874 C ARG A 124 4.100 -8.189 8.932 1.00 0.00 C ATOM 1875 O ARG A 124 5.264 -8.170 9.280 1.00 0.00 O ATOM 1876 CB ARG A 124 4.144 -9.481 6.748 1.00 0.00 C ATOM 1877 CG ARG A 124 3.800 -10.703 7.610 1.00 0.00 C ATOM 1878 CD ARG A 124 3.418 -11.877 6.707 1.00 0.00 C ATOM 1879 NE ARG A 124 4.436 -12.957 6.840 1.00 0.00 N ATOM 1880 CZ ARG A 124 4.114 -14.195 6.579 1.00 0.00 C ATOM 1881 NH1 ARG A 124 3.513 -14.918 7.485 1.00 0.00 N ATOM 1882 NH2 ARG A 124 4.392 -14.708 5.413 1.00 0.00 N ATOM 0 H ARG A 124 5.258 -7.149 6.408 1.00 0.00 H new ATOM 0 HA ARG A 124 2.615 -8.129 7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.651 -9.560 5.779 1.00 0.00 H new ATOM 0 HB3 ARG A 124 5.217 -9.452 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 124 4.653 -10.973 8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.976 -10.466 8.283 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.433 -12.255 6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.356 -11.547 5.670 1.00 0.00 H new ATOM 0 HE ARG A 124 5.385 -12.729 7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 124 3.295 -14.516 8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.261 -15.885 7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.861 -14.142 4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 124 4.141 -15.675 5.208 1.00 0.00 H new ATOM 1896 N VAL A 125 3.124 -8.197 9.798 1.00 0.00 N ATOM 1897 CA VAL A 125 3.411 -8.185 11.255 1.00 0.00 C ATOM 1898 C VAL A 125 3.640 -9.618 11.742 1.00 0.00 C ATOM 1899 O VAL A 125 4.611 -9.835 12.447 1.00 0.00 O ATOM 1900 CB VAL A 125 2.215 -7.578 11.992 1.00 0.00 C ATOM 1901 CG1 VAL A 125 2.607 -7.267 13.424 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.784 -6.279 11.313 1.00 0.00 C ATOM 1903 OXT VAL A 125 2.840 -10.473 11.400 1.00 0.00 O ATOM 0 H VAL A 125 2.134 -8.211 9.554 1.00 0.00 H new ATOM 0 HA VAL A 125 4.304 -7.592 11.451 1.00 0.00 H new ATOM 0 HB VAL A 125 1.392 -8.293 11.972 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.755 -6.835 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 125 2.914 -8.185 13.925 1.00 0.00 H new ATOM 0 HG13 VAL A 125 3.434 -6.557 13.429 1.00 0.00 H new ATOM 0 HG21 VAL A 125 0.932 -5.855 11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.611 -5.569 11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.501 -6.485 10.281 1.00 0.00 H new