USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 575 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 63 CYS SG : rot 5:sc= -0.496 USER MOD Set 1.2: A 68 ASN : amide:sc= -9.58! C(o=-11!,f=-6.6!) USER MOD Set 1.3: A 93 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 6 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-0.095) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.47) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -100:sc= -2.4! USER MOD Single : A 48 MET CE :methyl 134:sc= -0.648 (180deg=-3.15!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -156:sc= -0.0334 (180deg=-0.243) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0438 K(o=-0.044,f=-0.6) USER MOD Single : A 76 ASN : amide:sc= -0.508 K(o=-0.51,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-4.5!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -110:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0532 X(o=-0.053,f=-0.38) USER MOD Single : A 86 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.5!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.7!) USER MOD Single : A 97 LYS NZ :NH3+ -146:sc= 0.286 (180deg=0.0166) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 1.599 43.844 -1.036 1.00 0.00 N ATOM 67 CA HIS A 6 1.642 42.596 -0.284 1.00 0.00 C ATOM 68 C HIS A 6 1.627 41.397 -1.226 1.00 0.00 C ATOM 69 O HIS A 6 0.572 40.990 -1.712 1.00 0.00 O ATOM 70 CB HIS A 6 0.458 42.517 0.683 1.00 0.00 C ATOM 71 CG HIS A 6 0.789 41.853 1.984 1.00 0.00 C ATOM 72 ND1 HIS A 6 1.379 40.612 2.027 1.00 0.00 N ATOM 73 CD2 HIS A 6 0.592 42.295 3.251 1.00 0.00 C ATOM 74 CE1 HIS A 6 1.530 40.327 3.307 1.00 0.00 C ATOM 75 NE2 HIS A 6 1.068 41.316 4.086 1.00 0.00 N ATOM 0 HA HIS A 6 2.569 42.575 0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 6 0.094 43.525 0.882 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -0.356 41.973 0.204 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.147 43.234 3.545 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.970 39.414 3.680 1.00 0.00 H new ATOM 0 HE2 HIS A 6 1.070 41.336 5.106 1.00 0.00 H new ATOM 83 N HIS A 7 2.806 40.842 -1.486 1.00 0.00 N ATOM 84 CA HIS A 7 2.933 39.695 -2.378 1.00 0.00 C ATOM 85 C HIS A 7 3.729 38.573 -1.718 1.00 0.00 C ATOM 86 O HIS A 7 4.006 37.547 -2.338 1.00 0.00 O ATOM 87 CB HIS A 7 3.611 40.115 -3.684 1.00 0.00 C ATOM 88 CG HIS A 7 2.843 39.729 -4.910 1.00 0.00 C ATOM 89 ND1 HIS A 7 1.908 40.570 -5.464 1.00 0.00 N ATOM 90 CD2 HIS A 7 2.908 38.593 -5.647 1.00 0.00 C ATOM 91 CE1 HIS A 7 1.426 39.934 -6.518 1.00 0.00 C ATOM 92 NE2 HIS A 7 2.002 38.732 -6.666 1.00 0.00 N ATOM 0 H HIS A 7 3.688 41.168 -1.091 1.00 0.00 H new ATOM 0 HA HIS A 7 1.932 39.324 -2.596 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.752 41.196 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 7 4.603 39.665 -3.730 1.00 0.00 H new ATOM 0 HD2 HIS A 7 3.549 37.743 -5.466 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.666 40.331 -7.175 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.803 38.050 -7.398 1.00 0.00 H new ATOM 100 N HIS A 8 4.096 38.777 -0.457 1.00 0.00 N ATOM 101 CA HIS A 8 4.861 37.784 0.288 1.00 0.00 C ATOM 102 C HIS A 8 3.942 36.716 0.873 1.00 0.00 C ATOM 103 O HIS A 8 4.124 35.523 0.626 1.00 0.00 O ATOM 104 CB HIS A 8 5.656 38.457 1.409 1.00 0.00 C ATOM 105 CG HIS A 8 6.907 39.131 0.935 1.00 0.00 C ATOM 106 ND1 HIS A 8 8.126 38.867 1.514 1.00 0.00 N ATOM 107 CD2 HIS A 8 7.073 40.043 -0.054 1.00 0.00 C ATOM 108 CE1 HIS A 8 9.002 39.617 0.869 1.00 0.00 C ATOM 109 NE2 HIS A 8 8.410 40.345 -0.089 1.00 0.00 N ATOM 0 H HIS A 8 3.876 39.622 0.071 1.00 0.00 H new ATOM 0 HA HIS A 8 5.554 37.304 -0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.021 39.193 1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.917 37.709 2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.302 40.452 -0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.060 39.641 1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 8 8.868 40.999 -0.724 1.00 0.00 H new ATOM 117 N HIS A 9 2.954 37.152 1.649 1.00 0.00 N ATOM 118 CA HIS A 9 2.006 36.233 2.268 1.00 0.00 C ATOM 119 C HIS A 9 0.631 36.351 1.619 1.00 0.00 C ATOM 120 O HIS A 9 -0.326 35.707 2.051 1.00 0.00 O ATOM 121 CB HIS A 9 1.900 36.510 3.769 1.00 0.00 C ATOM 122 CG HIS A 9 2.852 35.701 4.594 1.00 0.00 C ATOM 123 ND1 HIS A 9 4.192 35.641 4.289 1.00 0.00 N ATOM 124 CD2 HIS A 9 2.613 34.941 5.691 1.00 0.00 C ATOM 125 CE1 HIS A 9 4.736 34.854 5.201 1.00 0.00 C ATOM 126 NE2 HIS A 9 3.817 34.408 6.069 1.00 0.00 N ATOM 0 H HIS A 9 2.790 38.136 1.864 1.00 0.00 H new ATOM 0 HA HIS A 9 2.373 35.217 2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.085 37.569 3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.881 36.304 4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.659 34.786 6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.786 34.603 5.242 1.00 0.00 H new ATOM 0 HE2 HIS A 9 3.983 33.788 6.862 1.00 0.00 H new ATOM 134 N HIS A 10 0.540 37.174 0.581 1.00 0.00 N ATOM 135 CA HIS A 10 -0.717 37.374 -0.129 1.00 0.00 C ATOM 136 C HIS A 10 -0.614 36.880 -1.569 1.00 0.00 C ATOM 137 O HIS A 10 -0.485 37.675 -2.502 1.00 0.00 O ATOM 138 CB HIS A 10 -1.111 38.852 -0.111 1.00 0.00 C ATOM 139 CG HIS A 10 -2.586 39.081 -0.225 1.00 0.00 C ATOM 140 ND1 HIS A 10 -3.457 38.041 -0.449 1.00 0.00 N ATOM 141 CD2 HIS A 10 -3.290 40.237 -0.138 1.00 0.00 C ATOM 142 CE1 HIS A 10 -4.662 38.581 -0.495 1.00 0.00 C ATOM 143 NE2 HIS A 10 -4.610 39.907 -0.311 1.00 0.00 N ATOM 0 H HIS A 10 1.323 37.714 0.212 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.487 36.795 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.752 39.304 0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.608 39.363 -0.932 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -2.889 41.225 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.573 38.024 -0.660 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.402 40.550 -0.301 1.00 0.00 H new ATOM 151 N SER A 11 -0.667 35.563 -1.742 1.00 0.00 N ATOM 152 CA SER A 11 -0.581 34.961 -3.067 1.00 0.00 C ATOM 153 C SER A 11 -1.864 35.200 -3.857 1.00 0.00 C ATOM 154 O SER A 11 -2.884 35.602 -3.296 1.00 0.00 O ATOM 155 CB SER A 11 -0.313 33.459 -2.951 1.00 0.00 C ATOM 156 OG SER A 11 0.979 33.133 -3.431 1.00 0.00 O ATOM 0 H SER A 11 -0.769 34.892 -0.980 1.00 0.00 H new ATOM 0 HA SER A 11 0.246 35.431 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.407 33.149 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.064 32.908 -3.516 1.00 0.00 H new ATOM 0 HG SER A 11 1.126 32.168 -3.344 1.00 0.00 H new ATOM 162 N SER A 12 -1.806 34.949 -5.160 1.00 0.00 N ATOM 163 CA SER A 12 -2.962 35.135 -6.028 1.00 0.00 C ATOM 164 C SER A 12 -3.511 33.793 -6.500 1.00 0.00 C ATOM 165 O SER A 12 -4.416 33.739 -7.332 1.00 0.00 O ATOM 166 CB SER A 12 -2.586 35.998 -7.234 1.00 0.00 C ATOM 167 OG SER A 12 -1.568 36.926 -6.901 1.00 0.00 O ATOM 0 H SER A 12 -0.969 34.616 -5.639 1.00 0.00 H new ATOM 0 HA SER A 12 -3.738 35.642 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.247 35.360 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.466 36.532 -7.591 1.00 0.00 H new ATOM 0 HG SER A 12 -1.345 37.464 -7.689 1.00 0.00 H new ATOM 173 N GLY A 13 -2.957 32.711 -5.961 1.00 0.00 N ATOM 174 CA GLY A 13 -3.403 31.382 -6.338 1.00 0.00 C ATOM 175 C GLY A 13 -4.108 30.662 -5.205 1.00 0.00 C ATOM 176 O GLY A 13 -4.699 31.296 -4.331 1.00 0.00 O ATOM 0 H GLY A 13 -2.207 32.731 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.077 31.457 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.545 30.792 -6.660 1.00 0.00 H new ATOM 390 N ASP A 27 1.214 3.843 -3.631 1.00 0.00 N ATOM 391 CA ASP A 27 0.313 3.273 -4.627 1.00 0.00 C ATOM 392 C ASP A 27 -0.772 2.434 -3.961 1.00 0.00 C ATOM 393 O ASP A 27 -1.924 2.859 -3.875 1.00 0.00 O ATOM 394 CB ASP A 27 1.092 2.421 -5.631 1.00 0.00 C ATOM 395 CG ASP A 27 0.311 2.172 -6.906 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.492 1.216 -6.933 1.00 0.00 O ATOM 397 OD2 ASP A 27 0.502 2.934 -7.877 1.00 0.00 O ATOM 0 HA ASP A 27 -0.164 4.096 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.031 2.919 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.347 1.466 -5.172 1.00 0.00 H new ATOM 402 N TYR A 28 -0.407 1.240 -3.497 1.00 0.00 N ATOM 403 CA TYR A 28 -1.374 0.363 -2.843 1.00 0.00 C ATOM 404 C TYR A 28 -0.806 -0.237 -1.561 1.00 0.00 C ATOM 405 O TYR A 28 0.406 -0.237 -1.348 1.00 0.00 O ATOM 406 CB TYR A 28 -1.818 -0.748 -3.794 1.00 0.00 C ATOM 407 CG TYR A 28 -3.275 -0.657 -4.184 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.257 -1.285 -3.429 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.670 0.065 -5.303 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.592 -1.201 -3.780 1.00 0.00 C ATOM 411 CE2 TYR A 28 -5.002 0.154 -5.663 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.959 -0.481 -4.897 1.00 0.00 C ATOM 413 OH TYR A 28 -7.285 -0.395 -5.251 1.00 0.00 O ATOM 0 H TYR A 28 0.538 0.862 -3.561 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.240 0.968 -2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.205 -0.711 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.635 -1.714 -3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.973 -1.849 -2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.924 0.566 -5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.343 -1.697 -3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.292 0.717 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.373 0.149 -6.061 1.00 0.00 H new ATOM 423 N ARG A 29 -1.695 -0.721 -0.698 1.00 0.00 N ATOM 424 CA ARG A 29 -1.283 -1.313 0.569 1.00 0.00 C ATOM 425 C ARG A 29 -2.026 -2.618 0.845 1.00 0.00 C ATOM 426 O ARG A 29 -3.254 -2.637 0.940 1.00 0.00 O ATOM 427 CB ARG A 29 -1.522 -0.328 1.715 1.00 0.00 C ATOM 428 CG ARG A 29 -2.862 0.386 1.632 1.00 0.00 C ATOM 429 CD ARG A 29 -3.141 1.192 2.890 1.00 0.00 C ATOM 430 NE ARG A 29 -4.536 1.084 3.308 1.00 0.00 N ATOM 431 CZ ARG A 29 -5.494 1.909 2.898 1.00 0.00 C ATOM 432 NH1 ARG A 29 -5.210 2.899 2.062 1.00 0.00 N ATOM 433 NH2 ARG A 29 -6.739 1.744 3.323 1.00 0.00 N ATOM 0 H ARG A 29 -2.703 -0.715 -0.853 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.219 -1.537 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.463 -0.864 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.724 0.414 1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.870 1.047 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.657 -0.345 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.493 0.845 3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.895 2.239 2.712 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.789 0.333 3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.254 3.029 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.948 3.530 1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.962 0.984 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.474 2.378 3.008 1.00 0.00 H new ATOM 447 N LEU A 30 -1.270 -3.700 1.002 1.00 0.00 N ATOM 448 CA LEU A 30 -1.846 -5.004 1.312 1.00 0.00 C ATOM 449 C LEU A 30 -1.547 -5.380 2.762 1.00 0.00 C ATOM 450 O LEU A 30 -0.660 -6.188 3.035 1.00 0.00 O ATOM 451 CB LEU A 30 -1.297 -6.075 0.357 1.00 0.00 C ATOM 452 CG LEU A 30 -2.333 -7.070 -0.182 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.678 -8.106 0.881 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.582 -6.337 -0.646 1.00 0.00 C ATOM 0 H LEU A 30 -0.253 -3.699 0.919 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.927 -4.948 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.824 -5.575 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.517 -6.633 0.874 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.904 -7.589 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.414 -8.804 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.777 -8.650 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.090 -7.605 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.307 -7.057 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.017 -5.792 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.319 -5.635 -1.438 1.00 0.00 H new ATOM 466 N ASP A 31 -2.288 -4.776 3.690 1.00 0.00 N ATOM 467 CA ASP A 31 -2.077 -5.013 5.116 1.00 0.00 C ATOM 468 C ASP A 31 -3.139 -5.947 5.690 1.00 0.00 C ATOM 469 O ASP A 31 -3.968 -5.538 6.505 1.00 0.00 O ATOM 470 CB ASP A 31 -2.085 -3.686 5.880 1.00 0.00 C ATOM 471 CG ASP A 31 -1.803 -2.496 4.984 1.00 0.00 C ATOM 472 OD1 ASP A 31 -0.709 -2.452 4.384 1.00 0.00 O ATOM 473 OD2 ASP A 31 -2.675 -1.607 4.885 1.00 0.00 O ATOM 0 H ASP A 31 -3.039 -4.119 3.479 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.105 -5.492 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.055 -3.553 6.360 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.339 -3.723 6.674 1.00 0.00 H new ATOM 478 N MET A 32 -3.136 -7.192 5.223 1.00 0.00 N ATOM 479 CA MET A 32 -4.081 -8.196 5.704 1.00 0.00 C ATOM 480 C MET A 32 -3.385 -9.542 5.933 1.00 0.00 C ATOM 481 O MET A 32 -2.661 -9.727 6.913 1.00 0.00 O ATOM 482 CB MET A 32 -5.240 -8.350 4.716 1.00 0.00 C ATOM 483 CG MET A 32 -6.330 -7.303 4.888 1.00 0.00 C ATOM 484 SD MET A 32 -7.987 -8.013 4.859 1.00 0.00 S ATOM 485 CE MET A 32 -8.879 -6.754 3.951 1.00 0.00 C ATOM 0 H MET A 32 -2.489 -7.531 4.511 1.00 0.00 H new ATOM 0 HA MET A 32 -4.480 -7.858 6.661 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.850 -8.293 3.700 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.678 -9.341 4.834 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.180 -6.780 5.832 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.243 -6.560 4.095 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.923 -7.049 3.850 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.820 -5.807 4.488 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.438 -6.638 2.961 1.00 0.00 H new ATOM 495 N VAL A 33 -3.617 -10.484 5.022 1.00 0.00 N ATOM 496 CA VAL A 33 -3.014 -11.805 5.113 1.00 0.00 C ATOM 497 C VAL A 33 -2.455 -12.243 3.763 1.00 0.00 C ATOM 498 O VAL A 33 -3.087 -12.044 2.724 1.00 0.00 O ATOM 499 CB VAL A 33 -4.035 -12.847 5.612 1.00 0.00 C ATOM 500 CG1 VAL A 33 -5.156 -13.034 4.602 1.00 0.00 C ATOM 501 CG2 VAL A 33 -3.350 -14.172 5.913 1.00 0.00 C ATOM 0 H VAL A 33 -4.221 -10.353 4.211 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.197 -11.742 5.831 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.474 -12.475 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.864 -13.774 4.977 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.670 -12.085 4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.739 -13.377 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.089 -14.892 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.876 -14.550 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.594 -14.024 6.684 1.00 0.00 H new ATOM 511 N GLY A 34 -1.262 -12.824 3.784 1.00 0.00 N ATOM 512 CA GLY A 34 -0.635 -13.279 2.556 1.00 0.00 C ATOM 513 C GLY A 34 -1.297 -14.523 2.000 1.00 0.00 C ATOM 514 O GLY A 34 -0.780 -15.630 2.149 1.00 0.00 O ATOM 0 H GLY A 34 -0.716 -12.989 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.678 -12.484 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.419 -13.484 2.743 1.00 0.00 H new ATOM 518 N GLU A 35 -2.450 -14.341 1.363 1.00 0.00 N ATOM 519 CA GLU A 35 -3.192 -15.442 0.788 1.00 0.00 C ATOM 520 C GLU A 35 -2.512 -15.950 -0.485 1.00 0.00 C ATOM 521 O GLU A 35 -2.096 -15.158 -1.330 1.00 0.00 O ATOM 522 CB GLU A 35 -4.619 -14.985 0.482 1.00 0.00 C ATOM 523 CG GLU A 35 -5.433 -16.031 -0.242 1.00 0.00 C ATOM 524 CD GLU A 35 -6.601 -16.542 0.580 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.506 -15.739 0.888 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.608 -17.744 0.916 1.00 0.00 O ATOM 0 H GLU A 35 -2.888 -13.429 1.235 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.219 -16.263 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.119 -14.726 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.582 -14.079 -0.123 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.808 -15.611 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.787 -16.868 -0.506 1.00 0.00 H new ATOM 593 N PRO A 40 -5.355 -10.021 -2.393 1.00 0.00 N ATOM 594 CA PRO A 40 -5.808 -8.749 -2.966 1.00 0.00 C ATOM 595 C PRO A 40 -4.706 -8.032 -3.746 1.00 0.00 C ATOM 596 O PRO A 40 -4.907 -6.923 -4.243 1.00 0.00 O ATOM 597 CB PRO A 40 -6.229 -7.925 -1.739 1.00 0.00 C ATOM 598 CG PRO A 40 -5.984 -8.797 -0.543 1.00 0.00 C ATOM 599 CD PRO A 40 -5.021 -9.863 -0.980 1.00 0.00 C ATOM 0 HA PRO A 40 -6.612 -8.896 -3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.651 -7.003 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.279 -7.640 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.571 -8.216 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.915 -9.238 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.984 -9.558 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.159 -10.790 -0.423 1.00 0.00 H new ATOM 607 N ALA A 41 -3.560 -8.698 -3.896 1.00 0.00 N ATOM 608 CA ALA A 41 -2.428 -8.152 -4.649 1.00 0.00 C ATOM 609 C ALA A 41 -2.798 -7.857 -6.099 1.00 0.00 C ATOM 610 O ALA A 41 -1.948 -7.442 -6.886 1.00 0.00 O ATOM 611 CB ALA A 41 -1.264 -9.125 -4.609 1.00 0.00 C ATOM 0 H ALA A 41 -3.390 -9.624 -3.503 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.143 -7.211 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.426 -8.713 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.962 -9.289 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.567 -10.073 -5.053 1.00 0.00 H new ATOM 617 N VAL A 42 -4.057 -8.088 -6.454 1.00 0.00 N ATOM 618 CA VAL A 42 -4.527 -7.816 -7.806 1.00 0.00 C ATOM 619 C VAL A 42 -4.155 -6.396 -8.222 1.00 0.00 C ATOM 620 O VAL A 42 -3.976 -6.109 -9.404 1.00 0.00 O ATOM 621 CB VAL A 42 -6.053 -7.999 -7.923 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.524 -7.717 -9.343 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.455 -9.401 -7.492 1.00 0.00 C ATOM 0 H VAL A 42 -4.768 -8.462 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.042 -8.532 -8.469 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.536 -7.283 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.604 -7.852 -9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.272 -6.692 -9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.034 -8.405 -10.032 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.536 -9.513 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.961 -10.134 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.157 -9.563 -6.456 1.00 0.00 H new ATOM 633 N ALA A 43 -4.039 -5.514 -7.233 1.00 0.00 N ATOM 634 CA ALA A 43 -3.662 -4.130 -7.484 1.00 0.00 C ATOM 635 C ALA A 43 -2.185 -4.031 -7.843 1.00 0.00 C ATOM 636 O ALA A 43 -1.790 -3.222 -8.682 1.00 0.00 O ATOM 637 CB ALA A 43 -3.975 -3.269 -6.272 1.00 0.00 C ATOM 0 H ALA A 43 -4.201 -5.735 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.243 -3.763 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.688 -2.237 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.043 -3.313 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.419 -3.638 -5.410 1.00 0.00 H new ATOM 643 N THR A 44 -1.375 -4.862 -7.194 1.00 0.00 N ATOM 644 CA THR A 44 0.062 -4.887 -7.436 1.00 0.00 C ATOM 645 C THR A 44 0.365 -5.165 -8.907 1.00 0.00 C ATOM 646 O THR A 44 1.118 -4.434 -9.551 1.00 0.00 O ATOM 647 CB THR A 44 0.723 -5.952 -6.565 1.00 0.00 C ATOM 648 OG1 THR A 44 0.589 -5.622 -5.196 1.00 0.00 O ATOM 649 CG2 THR A 44 2.198 -6.137 -6.852 1.00 0.00 C ATOM 0 H THR A 44 -1.693 -5.531 -6.492 1.00 0.00 H new ATOM 0 HA THR A 44 0.465 -3.907 -7.179 1.00 0.00 H new ATOM 0 HB THR A 44 0.209 -6.883 -6.804 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.423 -5.221 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.602 -6.909 -6.197 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.332 -6.437 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.724 -5.199 -6.675 1.00 0.00 H new ATOM 657 N LEU A 45 -0.223 -6.239 -9.426 1.00 0.00 N ATOM 658 CA LEU A 45 -0.012 -6.637 -10.813 1.00 0.00 C ATOM 659 C LEU A 45 -0.478 -5.553 -11.776 1.00 0.00 C ATOM 660 O LEU A 45 0.322 -5.004 -12.532 1.00 0.00 O ATOM 661 CB LEU A 45 -0.747 -7.945 -11.108 1.00 0.00 C ATOM 662 CG LEU A 45 0.052 -8.974 -11.911 1.00 0.00 C ATOM 663 CD1 LEU A 45 1.391 -9.258 -11.244 1.00 0.00 C ATOM 664 CD2 LEU A 45 -0.747 -10.259 -12.071 1.00 0.00 C ATOM 0 H LEU A 45 -0.851 -6.851 -8.905 1.00 0.00 H new ATOM 0 HA LEU A 45 1.058 -6.786 -10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.044 -8.397 -10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.662 -7.714 -11.653 1.00 0.00 H new ATOM 0 HG LEU A 45 0.246 -8.560 -12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.942 -9.992 -11.832 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.969 -8.336 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.222 -9.650 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.165 -10.980 -12.644 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.971 -10.673 -11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.678 -10.045 -12.596 1.00 0.00 H new ATOM 676 N GLU A 46 -1.778 -5.261 -11.755 1.00 0.00 N ATOM 677 CA GLU A 46 -2.348 -4.237 -12.626 1.00 0.00 C ATOM 678 C GLU A 46 -1.502 -2.973 -12.583 1.00 0.00 C ATOM 679 O GLU A 46 -1.269 -2.327 -13.614 1.00 0.00 O ATOM 680 CB GLU A 46 -3.784 -3.919 -12.209 1.00 0.00 C ATOM 681 CG GLU A 46 -4.686 -5.140 -12.159 1.00 0.00 C ATOM 682 CD GLU A 46 -5.000 -5.690 -13.536 1.00 0.00 C ATOM 683 OE1 GLU A 46 -5.911 -5.148 -14.198 1.00 0.00 O ATOM 684 OE2 GLU A 46 -4.337 -6.663 -13.952 1.00 0.00 O ATOM 0 H GLU A 46 -2.455 -5.719 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.356 -4.621 -13.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.772 -3.446 -11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.205 -3.195 -12.907 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.207 -5.916 -11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.617 -4.879 -11.655 1.00 0.00 H new ATOM 691 N ALA A 47 -1.024 -2.640 -11.384 1.00 0.00 N ATOM 692 CA ALA A 47 -0.168 -1.477 -11.207 1.00 0.00 C ATOM 693 C ALA A 47 0.837 -1.414 -12.337 1.00 0.00 C ATOM 694 O ALA A 47 0.866 -0.453 -13.083 1.00 0.00 O ATOM 695 CB ALA A 47 0.530 -1.515 -9.857 1.00 0.00 C ATOM 0 H ALA A 47 -1.216 -3.159 -10.527 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.783 -0.577 -11.230 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.164 -0.635 -9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.216 -1.524 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.143 -2.414 -9.790 1.00 0.00 H new ATOM 701 N MET A 48 1.675 -2.433 -12.441 1.00 0.00 N ATOM 702 CA MET A 48 2.596 -2.537 -13.563 1.00 0.00 C ATOM 703 C MET A 48 1.849 -3.015 -14.814 1.00 0.00 C ATOM 704 O MET A 48 1.143 -4.020 -14.755 1.00 0.00 O ATOM 705 CB MET A 48 3.739 -3.501 -13.234 1.00 0.00 C ATOM 706 CG MET A 48 4.074 -3.572 -11.752 1.00 0.00 C ATOM 707 SD MET A 48 4.566 -1.975 -11.073 1.00 0.00 S ATOM 708 CE MET A 48 5.342 -2.485 -9.542 1.00 0.00 C ATOM 0 H MET A 48 1.737 -3.196 -11.767 1.00 0.00 H new ATOM 0 HA MET A 48 3.019 -1.551 -13.756 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.473 -4.498 -13.585 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.629 -3.196 -13.784 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.207 -3.943 -11.205 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.879 -4.291 -11.600 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.289 -1.959 -9.421 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.686 -2.248 -8.705 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.524 -3.559 -9.567 1.00 0.00 H new ATOM 718 N PRO A 49 2.138 -2.447 -16.002 1.00 0.00 N ATOM 719 CA PRO A 49 2.941 -1.242 -16.171 1.00 0.00 C ATOM 720 C PRO A 49 2.142 0.050 -15.985 1.00 0.00 C ATOM 721 O PRO A 49 2.587 1.116 -16.414 1.00 0.00 O ATOM 722 CB PRO A 49 3.406 -1.373 -17.617 1.00 0.00 C ATOM 723 CG PRO A 49 2.269 -2.042 -18.319 1.00 0.00 C ATOM 724 CD PRO A 49 1.503 -2.827 -17.276 1.00 0.00 C ATOM 0 HA PRO A 49 3.739 -1.171 -15.432 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.623 -0.398 -18.054 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.319 -1.964 -17.688 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.624 -1.305 -18.797 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.636 -2.702 -19.105 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.443 -2.573 -17.285 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.575 -3.900 -17.453 1.00 0.00 H new ATOM 732 N GLN A 50 0.931 -0.043 -15.429 1.00 0.00 N ATOM 733 CA GLN A 50 0.082 1.140 -15.265 1.00 0.00 C ATOM 734 C GLN A 50 0.627 2.087 -14.195 1.00 0.00 C ATOM 735 O GLN A 50 -0.051 3.031 -13.789 1.00 0.00 O ATOM 736 CB GLN A 50 -1.344 0.718 -14.908 1.00 0.00 C ATOM 737 CG GLN A 50 -2.022 -0.102 -15.995 1.00 0.00 C ATOM 738 CD GLN A 50 -3.529 -0.152 -15.833 1.00 0.00 C ATOM 739 OE1 GLN A 50 -4.249 0.699 -16.353 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.012 -1.157 -15.112 1.00 0.00 N ATOM 0 H GLN A 50 0.521 -0.913 -15.089 1.00 0.00 H new ATOM 0 HA GLN A 50 0.078 1.676 -16.214 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.323 0.138 -13.986 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.940 1.609 -14.711 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.779 0.322 -16.969 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.625 -1.117 -15.980 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.377 -1.840 -14.699 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.018 -1.246 -14.971 1.00 0.00 H new ATOM 749 N LEU A 51 1.853 1.833 -13.743 1.00 0.00 N ATOM 750 CA LEU A 51 2.478 2.660 -12.717 1.00 0.00 C ATOM 751 C LEU A 51 2.876 4.022 -13.277 1.00 0.00 C ATOM 752 O LEU A 51 2.615 4.327 -14.442 1.00 0.00 O ATOM 753 CB LEU A 51 3.704 1.952 -12.135 1.00 0.00 C ATOM 754 CG LEU A 51 4.898 1.827 -13.084 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.201 1.829 -12.300 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.785 0.564 -13.923 1.00 0.00 C ATOM 0 H LEU A 51 2.432 1.061 -14.072 1.00 0.00 H new ATOM 0 HA LEU A 51 1.749 2.817 -11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.025 2.490 -11.243 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.409 0.953 -11.815 1.00 0.00 H new ATOM 0 HG LEU A 51 4.895 2.686 -13.755 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.041 1.739 -12.989 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.288 2.761 -11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.210 0.988 -11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.643 0.493 -14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.762 -0.307 -13.268 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.868 0.599 -14.512 1.00 0.00 H new ATOM 768 N LYS A 52 3.506 4.839 -12.438 1.00 0.00 N ATOM 769 CA LYS A 52 3.936 6.172 -12.843 1.00 0.00 C ATOM 770 C LYS A 52 5.444 6.333 -12.668 1.00 0.00 C ATOM 771 O LYS A 52 6.176 5.348 -12.577 1.00 0.00 O ATOM 772 CB LYS A 52 3.198 7.234 -12.027 1.00 0.00 C ATOM 773 CG LYS A 52 1.848 7.621 -12.608 1.00 0.00 C ATOM 774 CD LYS A 52 1.281 8.854 -11.924 1.00 0.00 C ATOM 775 CE LYS A 52 0.596 9.779 -12.917 1.00 0.00 C ATOM 776 NZ LYS A 52 1.568 10.403 -13.858 1.00 0.00 N ATOM 0 H LYS A 52 3.730 4.600 -11.472 1.00 0.00 H new ATOM 0 HA LYS A 52 3.696 6.302 -13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.054 6.865 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.822 8.125 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.951 7.811 -13.676 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.151 6.790 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.568 8.550 -11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.083 9.392 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.147 9.217 -13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.062 10.560 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.172 11.290 -14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.457 10.603 -13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.755 9.751 -14.647 1.00 0.00 H new ATOM 790 N LYS A 53 5.901 7.581 -12.622 1.00 0.00 N ATOM 791 CA LYS A 53 7.321 7.870 -12.457 1.00 0.00 C ATOM 792 C LYS A 53 7.703 7.903 -10.981 1.00 0.00 C ATOM 793 O LYS A 53 8.629 8.612 -10.585 1.00 0.00 O ATOM 794 CB LYS A 53 7.670 9.207 -13.115 1.00 0.00 C ATOM 795 CG LYS A 53 8.415 9.063 -14.431 1.00 0.00 C ATOM 796 CD LYS A 53 8.195 10.268 -15.331 1.00 0.00 C ATOM 797 CE LYS A 53 7.702 9.853 -16.706 1.00 0.00 C ATOM 798 NZ LYS A 53 8.733 9.085 -17.458 1.00 0.00 N ATOM 0 H LYS A 53 5.308 8.408 -12.697 1.00 0.00 H new ATOM 0 HA LYS A 53 7.886 7.074 -12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.751 9.768 -13.287 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.278 9.794 -12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.481 8.943 -14.236 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.081 8.160 -14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.470 10.940 -14.871 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.127 10.824 -15.430 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.802 9.246 -16.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.424 10.740 -17.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.357 8.821 -18.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.582 9.672 -17.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.980 8.225 -16.928 1.00 0.00 H new ATOM 812 N GLY A 54 6.985 7.131 -10.171 1.00 0.00 N ATOM 813 CA GLY A 54 7.264 7.086 -8.748 1.00 0.00 C ATOM 814 C GLY A 54 6.118 6.497 -7.951 1.00 0.00 C ATOM 815 O GLY A 54 5.205 7.214 -7.540 1.00 0.00 O ATOM 0 H GLY A 54 6.215 6.536 -10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.164 6.495 -8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.471 8.094 -8.390 1.00 0.00 H new ATOM 819 N GLU A 55 6.162 5.186 -7.733 1.00 0.00 N ATOM 820 CA GLU A 55 5.126 4.502 -6.971 1.00 0.00 C ATOM 821 C GLU A 55 5.706 3.887 -5.701 1.00 0.00 C ATOM 822 O GLU A 55 6.915 3.925 -5.484 1.00 0.00 O ATOM 823 CB GLU A 55 4.446 3.430 -7.828 1.00 0.00 C ATOM 824 CG GLU A 55 5.196 2.110 -7.882 1.00 0.00 C ATOM 825 CD GLU A 55 4.295 0.921 -7.611 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.941 0.702 -6.434 1.00 0.00 O ATOM 827 OE2 GLU A 55 3.944 0.210 -8.576 1.00 0.00 O ATOM 0 H GLU A 55 6.905 4.577 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 55 4.375 5.237 -6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.444 3.250 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.330 3.811 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.657 1.997 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.004 2.124 -7.150 1.00 0.00 H new ATOM 834 N ILE A 56 4.831 3.344 -4.857 1.00 0.00 N ATOM 835 CA ILE A 56 5.237 2.739 -3.591 1.00 0.00 C ATOM 836 C ILE A 56 4.155 1.772 -3.094 1.00 0.00 C ATOM 837 O ILE A 56 2.996 1.872 -3.490 1.00 0.00 O ATOM 838 CB ILE A 56 5.512 3.824 -2.513 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.925 4.392 -2.664 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.334 3.270 -1.109 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.047 5.837 -2.230 1.00 0.00 C ATOM 0 H ILE A 56 3.826 3.311 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 56 6.161 2.187 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 56 4.786 4.622 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.616 3.786 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.232 4.307 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.534 4.055 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.312 2.912 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.028 2.444 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.075 6.172 -2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.382 6.455 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.772 5.926 -1.179 1.00 0.00 H new ATOM 853 N LEU A 57 4.541 0.826 -2.244 1.00 0.00 N ATOM 854 CA LEU A 57 3.593 -0.138 -1.703 1.00 0.00 C ATOM 855 C LEU A 57 3.912 -0.478 -0.271 1.00 0.00 C ATOM 856 O LEU A 57 5.042 -0.303 0.188 1.00 0.00 O ATOM 857 CB LEU A 57 3.621 -1.427 -2.507 1.00 0.00 C ATOM 858 CG LEU A 57 2.268 -2.105 -2.712 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.578 -1.538 -3.937 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.439 -3.611 -2.839 1.00 0.00 C ATOM 0 H LEU A 57 5.500 0.707 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 57 2.607 0.323 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.053 -1.215 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.288 -2.131 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 57 1.643 -1.907 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.615 -2.030 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.424 -0.467 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.199 -1.709 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.464 -4.077 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.079 -3.834 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.897 -4.003 -1.931 1.00 0.00 H new ATOM 872 N GLU A 58 2.923 -1.027 0.413 1.00 0.00 N ATOM 873 CA GLU A 58 3.120 -1.488 1.764 1.00 0.00 C ATOM 874 C GLU A 58 2.260 -2.717 2.030 1.00 0.00 C ATOM 875 O GLU A 58 1.036 -2.657 1.936 1.00 0.00 O ATOM 876 CB GLU A 58 2.798 -0.388 2.786 1.00 0.00 C ATOM 877 CG GLU A 58 2.820 1.021 2.212 1.00 0.00 C ATOM 878 CD GLU A 58 1.990 1.995 3.026 1.00 0.00 C ATOM 879 OE1 GLU A 58 2.496 2.491 4.054 1.00 0.00 O ATOM 880 OE2 GLU A 58 0.836 2.265 2.633 1.00 0.00 O ATOM 0 H GLU A 58 1.979 -1.161 0.050 1.00 0.00 H new ATOM 0 HA GLU A 58 4.171 -1.753 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.813 -0.580 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.516 -0.446 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.850 1.375 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.447 0.998 1.188 1.00 0.00 H new ATOM 887 N VAL A 59 2.904 -3.829 2.355 1.00 0.00 N ATOM 888 CA VAL A 59 2.198 -5.078 2.596 1.00 0.00 C ATOM 889 C VAL A 59 2.402 -5.564 4.025 1.00 0.00 C ATOM 890 O VAL A 59 3.494 -5.986 4.399 1.00 0.00 O ATOM 891 CB VAL A 59 2.660 -6.180 1.624 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.859 -7.454 1.842 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.542 -5.707 0.183 1.00 0.00 C ATOM 0 H VAL A 59 3.917 -3.891 2.458 1.00 0.00 H new ATOM 0 HA VAL A 59 1.139 -4.875 2.433 1.00 0.00 H new ATOM 0 HB VAL A 59 3.709 -6.399 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.199 -8.221 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.001 -7.803 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.801 -7.253 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.873 -6.499 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.503 -5.458 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.165 -4.824 0.038 1.00 0.00 H new ATOM 903 N VAL A 60 1.334 -5.536 4.809 1.00 0.00 N ATOM 904 CA VAL A 60 1.385 -6.005 6.185 1.00 0.00 C ATOM 905 C VAL A 60 0.445 -7.187 6.363 1.00 0.00 C ATOM 906 O VAL A 60 -0.739 -7.021 6.653 1.00 0.00 O ATOM 907 CB VAL A 60 1.007 -4.896 7.186 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.674 -5.148 8.530 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.387 -3.526 6.644 1.00 0.00 C ATOM 0 H VAL A 60 0.420 -5.193 4.514 1.00 0.00 H new ATOM 0 HA VAL A 60 2.412 -6.308 6.390 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.074 -4.914 7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.398 -4.357 9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.346 -6.110 8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.756 -5.158 8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.111 -2.759 7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.462 -3.489 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.861 -3.347 5.706 1.00 0.00 H new ATOM 919 N SER A 61 0.968 -8.381 6.131 1.00 0.00 N ATOM 920 CA SER A 61 0.160 -9.583 6.214 1.00 0.00 C ATOM 921 C SER A 61 0.811 -10.638 7.094 1.00 0.00 C ATOM 922 O SER A 61 1.964 -10.503 7.501 1.00 0.00 O ATOM 923 CB SER A 61 -0.073 -10.148 4.813 1.00 0.00 C ATOM 924 OG SER A 61 -0.898 -9.289 4.046 1.00 0.00 O ATOM 0 H SER A 61 1.945 -8.541 5.885 1.00 0.00 H new ATOM 0 HA SER A 61 -0.794 -9.314 6.667 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.884 -10.284 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.537 -11.132 4.887 1.00 0.00 H new ATOM 0 HG SER A 61 -1.030 -9.673 3.154 1.00 0.00 H new ATOM 930 N ASP A 62 0.069 -11.708 7.344 1.00 0.00 N ATOM 931 CA ASP A 62 0.563 -12.811 8.160 1.00 0.00 C ATOM 932 C ASP A 62 0.629 -14.094 7.337 1.00 0.00 C ATOM 933 O ASP A 62 -0.358 -14.497 6.719 1.00 0.00 O ATOM 934 CB ASP A 62 -0.338 -13.018 9.375 1.00 0.00 C ATOM 935 CG ASP A 62 0.431 -12.976 10.680 1.00 0.00 C ATOM 936 OD1 ASP A 62 1.428 -13.717 10.805 1.00 0.00 O ATOM 937 OD2 ASP A 62 0.034 -12.203 11.578 1.00 0.00 O ATOM 0 H ASP A 62 -0.880 -11.837 6.993 1.00 0.00 H new ATOM 0 HA ASP A 62 1.567 -12.561 8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.110 -12.248 9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.847 -13.978 9.287 1.00 0.00 H new ATOM 942 N CYS A 63 1.807 -14.712 7.306 1.00 0.00 N ATOM 943 CA CYS A 63 2.004 -15.942 6.545 1.00 0.00 C ATOM 944 C CYS A 63 3.221 -16.714 7.053 1.00 0.00 C ATOM 945 O CYS A 63 4.205 -16.117 7.490 1.00 0.00 O ATOM 946 CB CYS A 63 2.175 -15.622 5.059 1.00 0.00 C ATOM 947 SG CYS A 63 3.853 -15.131 4.597 1.00 0.00 S ATOM 0 H CYS A 63 2.637 -14.382 7.798 1.00 0.00 H new ATOM 0 HA CYS A 63 1.121 -16.566 6.679 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.890 -16.497 4.475 1.00 0.00 H new ATOM 0 HB3 CYS A 63 1.487 -14.821 4.789 1.00 0.00 H new ATOM 0 HG CYS A 63 4.636 -15.239 5.629 1.00 0.00 H new ATOM 953 N PRO A 64 3.177 -18.058 6.986 1.00 0.00 N ATOM 954 CA PRO A 64 4.280 -18.912 7.437 1.00 0.00 C ATOM 955 C PRO A 64 5.485 -18.835 6.504 1.00 0.00 C ATOM 956 O PRO A 64 6.614 -19.120 6.906 1.00 0.00 O ATOM 957 CB PRO A 64 3.686 -20.330 7.419 1.00 0.00 C ATOM 958 CG PRO A 64 2.216 -20.152 7.219 1.00 0.00 C ATOM 959 CD PRO A 64 2.050 -18.855 6.485 1.00 0.00 C ATOM 0 HA PRO A 64 4.647 -18.607 8.417 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.121 -20.926 6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.893 -20.853 8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.798 -20.980 6.647 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.693 -20.129 8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.098 -18.991 5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.091 -18.385 6.704 1.00 0.00 H new ATOM 967 N GLN A 65 5.236 -18.454 5.255 1.00 0.00 N ATOM 968 CA GLN A 65 6.295 -18.346 4.257 1.00 0.00 C ATOM 969 C GLN A 65 7.150 -17.106 4.496 1.00 0.00 C ATOM 970 O GLN A 65 6.964 -16.391 5.480 1.00 0.00 O ATOM 971 CB GLN A 65 5.692 -18.300 2.851 1.00 0.00 C ATOM 972 CG GLN A 65 6.067 -19.494 1.988 1.00 0.00 C ATOM 973 CD GLN A 65 6.594 -19.086 0.626 1.00 0.00 C ATOM 974 OE1 GLN A 65 7.726 -19.407 0.264 1.00 0.00 O ATOM 975 NE2 GLN A 65 5.773 -18.375 -0.136 1.00 0.00 N ATOM 0 H GLN A 65 4.307 -18.214 4.909 1.00 0.00 H new ATOM 0 HA GLN A 65 6.934 -19.225 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.606 -18.248 2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.019 -17.386 2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.823 -20.087 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.194 -20.133 1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.843 -18.132 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.072 -18.072 -1.063 1.00 0.00 H new ATOM 984 N SER A 66 8.089 -16.858 3.586 1.00 0.00 N ATOM 985 CA SER A 66 8.974 -15.703 3.693 1.00 0.00 C ATOM 986 C SER A 66 8.499 -14.569 2.792 1.00 0.00 C ATOM 987 O SER A 66 8.679 -13.393 3.111 1.00 0.00 O ATOM 988 CB SER A 66 10.405 -16.096 3.321 1.00 0.00 C ATOM 989 OG SER A 66 11.218 -16.217 4.475 1.00 0.00 O ATOM 0 H SER A 66 8.256 -17.442 2.767 1.00 0.00 H new ATOM 0 HA SER A 66 8.954 -15.356 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.396 -17.041 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.828 -15.348 2.651 1.00 0.00 H new ATOM 0 HG SER A 66 12.127 -16.471 4.210 1.00 0.00 H new ATOM 995 N ILE A 67 7.898 -14.930 1.663 1.00 0.00 N ATOM 996 CA ILE A 67 7.396 -13.942 0.715 1.00 0.00 C ATOM 997 C ILE A 67 5.890 -14.093 0.515 1.00 0.00 C ATOM 998 O ILE A 67 5.348 -15.194 0.615 1.00 0.00 O ATOM 999 CB ILE A 67 8.111 -14.054 -0.648 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.839 -12.810 -1.495 1.00 0.00 C ATOM 1001 CG2 ILE A 67 7.672 -15.311 -1.386 1.00 0.00 C ATOM 1002 CD1 ILE A 67 9.077 -12.247 -2.158 1.00 0.00 C ATOM 0 H ILE A 67 7.747 -15.899 1.382 1.00 0.00 H new ATOM 0 HA ILE A 67 7.603 -12.959 1.137 1.00 0.00 H new ATOM 0 HB ILE A 67 9.184 -14.124 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.106 -13.057 -2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.393 -12.041 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.188 -15.370 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.917 -16.189 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.596 -15.276 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.809 -11.367 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.804 -11.969 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.512 -13.000 -2.816 1.00 0.00 H new ATOM 1014 N ASN A 68 5.218 -12.977 0.245 1.00 0.00 N ATOM 1015 CA ASN A 68 3.773 -12.984 0.045 1.00 0.00 C ATOM 1016 C ASN A 68 3.425 -12.986 -1.439 1.00 0.00 C ATOM 1017 O ASN A 68 4.304 -12.878 -2.296 1.00 0.00 O ATOM 1018 CB ASN A 68 3.138 -11.767 0.721 1.00 0.00 C ATOM 1019 CG ASN A 68 2.478 -12.104 2.048 1.00 0.00 C ATOM 1020 OD1 ASN A 68 1.933 -11.225 2.718 1.00 0.00 O ATOM 1021 ND2 ASN A 68 2.520 -13.375 2.439 1.00 0.00 N ATOM 0 H ASN A 68 5.651 -12.057 0.160 1.00 0.00 H new ATOM 0 HA ASN A 68 3.377 -13.895 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.903 -11.008 0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.395 -11.332 0.052 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.091 -13.651 3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.981 -14.073 1.855 1.00 0.00 H new ATOM 1028 N ASN A 69 2.136 -13.120 -1.734 1.00 0.00 N ATOM 1029 CA ASN A 69 1.662 -13.131 -3.112 1.00 0.00 C ATOM 1030 C ASN A 69 1.735 -11.737 -3.729 1.00 0.00 C ATOM 1031 O ASN A 69 1.764 -11.591 -4.952 1.00 0.00 O ATOM 1032 CB ASN A 69 0.226 -13.653 -3.175 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.201 -14.006 -4.587 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -0.454 -13.125 -5.409 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -0.283 -15.299 -4.874 1.00 0.00 N ATOM 0 H ASN A 69 1.400 -13.223 -1.035 1.00 0.00 H new ATOM 0 HA ASN A 69 2.310 -13.795 -3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.135 -14.534 -2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.450 -12.898 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.565 -15.597 -5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.064 -15.995 -4.161 1.00 0.00 H new ATOM 1042 N ILE A 70 1.753 -10.714 -2.878 1.00 0.00 N ATOM 1043 CA ILE A 70 1.811 -9.331 -3.351 1.00 0.00 C ATOM 1044 C ILE A 70 3.162 -9.040 -4.015 1.00 0.00 C ATOM 1045 O ILE A 70 3.209 -8.621 -5.175 1.00 0.00 O ATOM 1046 CB ILE A 70 1.545 -8.299 -2.224 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.853 -8.948 -1.014 1.00 0.00 C ATOM 1048 CG2 ILE A 70 0.705 -7.143 -2.750 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.459 -9.634 -1.342 1.00 0.00 C ATOM 0 H ILE A 70 1.728 -10.814 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 70 1.013 -9.223 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 70 2.511 -7.917 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.531 -9.678 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.671 -8.182 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.527 -6.428 -1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.235 -6.650 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.249 -7.523 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.881 -10.065 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.157 -8.906 -1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.284 -10.425 -2.072 1.00 0.00 H new ATOM 1061 N PRO A 71 4.286 -9.290 -3.312 1.00 0.00 N ATOM 1062 CA PRO A 71 5.624 -9.072 -3.871 1.00 0.00 C ATOM 1063 C PRO A 71 5.911 -10.018 -5.029 1.00 0.00 C ATOM 1064 O PRO A 71 6.578 -9.651 -5.996 1.00 0.00 O ATOM 1065 CB PRO A 71 6.571 -9.364 -2.699 1.00 0.00 C ATOM 1066 CG PRO A 71 5.711 -9.347 -1.484 1.00 0.00 C ATOM 1067 CD PRO A 71 4.356 -9.804 -1.934 1.00 0.00 C ATOM 0 HA PRO A 71 5.736 -8.065 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.061 -10.330 -2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.359 -8.613 -2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.110 -10.007 -0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.663 -8.347 -1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.262 -10.889 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.562 -9.396 -1.308 1.00 0.00 H new ATOM 1075 N LEU A 72 5.397 -11.239 -4.922 1.00 0.00 N ATOM 1076 CA LEU A 72 5.582 -12.245 -5.961 1.00 0.00 C ATOM 1077 C LEU A 72 4.880 -11.824 -7.246 1.00 0.00 C ATOM 1078 O LEU A 72 5.214 -12.298 -8.333 1.00 0.00 O ATOM 1079 CB LEU A 72 5.041 -13.596 -5.488 1.00 0.00 C ATOM 1080 CG LEU A 72 5.353 -14.778 -6.409 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.341 -15.724 -5.744 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.076 -15.512 -6.785 1.00 0.00 C ATOM 0 H LEU A 72 4.847 -11.556 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 72 6.649 -12.340 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.449 -13.808 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.960 -13.518 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 72 5.808 -14.394 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.552 -16.559 -6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.266 -15.190 -5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.914 -16.102 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.317 -16.349 -7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.592 -15.885 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.402 -14.829 -7.302 1.00 0.00 H new ATOM 1094 N ASP A 73 3.906 -10.928 -7.115 1.00 0.00 N ATOM 1095 CA ASP A 73 3.157 -10.438 -8.264 1.00 0.00 C ATOM 1096 C ASP A 73 4.018 -9.522 -9.124 1.00 0.00 C ATOM 1097 O ASP A 73 4.287 -9.820 -10.286 1.00 0.00 O ATOM 1098 CB ASP A 73 1.902 -9.695 -7.804 1.00 0.00 C ATOM 1099 CG ASP A 73 0.631 -10.468 -8.097 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.627 -11.701 -7.895 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.360 -9.841 -8.525 1.00 0.00 O ATOM 0 H ASP A 73 3.618 -10.527 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 73 2.861 -11.298 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.969 -9.504 -6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.856 -8.725 -8.299 1.00 0.00 H new ATOM 1106 N ALA A 74 4.447 -8.405 -8.545 1.00 0.00 N ATOM 1107 CA ALA A 74 5.285 -7.446 -9.261 1.00 0.00 C ATOM 1108 C ALA A 74 6.586 -8.096 -9.721 1.00 0.00 C ATOM 1109 O ALA A 74 7.053 -7.849 -10.833 1.00 0.00 O ATOM 1110 CB ALA A 74 5.569 -6.239 -8.384 1.00 0.00 C ATOM 0 H ALA A 74 4.229 -8.141 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 74 4.745 -7.113 -10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.194 -5.532 -8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.630 -5.758 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.087 -6.560 -7.480 1.00 0.00 H new ATOM 1116 N ARG A 75 7.156 -8.940 -8.866 1.00 0.00 N ATOM 1117 CA ARG A 75 8.392 -9.641 -9.195 1.00 0.00 C ATOM 1118 C ARG A 75 8.232 -10.443 -10.483 1.00 0.00 C ATOM 1119 O ARG A 75 9.134 -10.480 -11.319 1.00 0.00 O ATOM 1120 CB ARG A 75 8.796 -10.571 -8.049 1.00 0.00 C ATOM 1121 CG ARG A 75 10.090 -10.163 -7.361 1.00 0.00 C ATOM 1122 CD ARG A 75 10.556 -11.223 -6.376 1.00 0.00 C ATOM 1123 NE ARG A 75 11.943 -11.019 -5.968 1.00 0.00 N ATOM 1124 CZ ARG A 75 12.859 -11.984 -5.954 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.536 -13.216 -6.321 1.00 0.00 N ATOM 1126 NH2 ARG A 75 14.099 -11.715 -5.571 1.00 0.00 N ATOM 0 H ARG A 75 6.782 -9.155 -7.942 1.00 0.00 H new ATOM 0 HA ARG A 75 9.175 -8.898 -9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.994 -10.595 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.904 -11.585 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.864 -9.995 -8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.943 -9.218 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.913 -11.207 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.453 -12.209 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 75 12.226 -10.083 -5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.582 -13.427 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.241 -13.953 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.351 -10.768 -5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.801 -12.455 -5.560 1.00 0.00 H new ATOM 1140 N ASN A 76 7.074 -11.077 -10.635 1.00 0.00 N ATOM 1141 CA ASN A 76 6.786 -11.871 -11.823 1.00 0.00 C ATOM 1142 C ASN A 76 6.545 -10.976 -13.036 1.00 0.00 C ATOM 1143 O ASN A 76 7.161 -11.159 -14.086 1.00 0.00 O ATOM 1144 CB ASN A 76 5.563 -12.758 -11.584 1.00 0.00 C ATOM 1145 CG ASN A 76 5.704 -14.124 -12.227 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.337 -15.142 -11.639 1.00 0.00 O ATOM 1147 ND2 ASN A 76 6.239 -14.153 -13.442 1.00 0.00 N ATOM 0 H ASN A 76 6.319 -11.056 -9.949 1.00 0.00 H new ATOM 0 HA ASN A 76 7.653 -12.500 -12.025 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.409 -12.879 -10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.676 -12.263 -11.980 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.360 -15.043 -13.925 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.529 -13.285 -13.892 1.00 0.00 H new ATOM 1154 N HIS A 77 5.639 -10.014 -12.884 1.00 0.00 N ATOM 1155 CA HIS A 77 5.308 -9.095 -13.967 1.00 0.00 C ATOM 1156 C HIS A 77 6.477 -8.165 -14.275 1.00 0.00 C ATOM 1157 O HIS A 77 7.229 -8.393 -15.221 1.00 0.00 O ATOM 1158 CB HIS A 77 4.067 -8.274 -13.608 1.00 0.00 C ATOM 1159 CG HIS A 77 3.601 -7.378 -14.714 1.00 0.00 C ATOM 1160 ND1 HIS A 77 4.284 -6.231 -15.044 1.00 0.00 N ATOM 1161 CD2 HIS A 77 2.528 -7.505 -15.532 1.00 0.00 C ATOM 1162 CE1 HIS A 77 3.617 -5.688 -16.047 1.00 0.00 C ATOM 1163 NE2 HIS A 77 2.545 -6.425 -16.374 1.00 0.00 N ATOM 0 H HIS A 77 5.121 -9.851 -12.020 1.00 0.00 H new ATOM 0 HA HIS A 77 5.098 -9.688 -14.857 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.259 -8.953 -13.336 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.284 -7.669 -12.728 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.801 -8.303 -15.522 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.899 -4.769 -16.540 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.870 -6.220 -17.111 1.00 0.00 H new ATOM 1171 N GLY A 78 6.618 -7.110 -13.475 1.00 0.00 N ATOM 1172 CA GLY A 78 7.692 -6.160 -13.693 1.00 0.00 C ATOM 1173 C GLY A 78 7.622 -4.968 -12.759 1.00 0.00 C ATOM 1174 O GLY A 78 6.897 -4.008 -13.019 1.00 0.00 O ATOM 0 H GLY A 78 6.010 -6.898 -12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.649 -6.664 -13.560 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.657 -5.810 -14.725 1.00 0.00 H new ATOM 1178 N TYR A 79 8.400 -5.019 -11.685 1.00 0.00 N ATOM 1179 CA TYR A 79 8.431 -3.941 -10.705 1.00 0.00 C ATOM 1180 C TYR A 79 9.627 -3.022 -10.936 1.00 0.00 C ATOM 1181 O TYR A 79 10.292 -3.091 -11.969 1.00 0.00 O ATOM 1182 CB TYR A 79 8.518 -4.530 -9.298 1.00 0.00 C ATOM 1183 CG TYR A 79 9.812 -5.278 -9.048 1.00 0.00 C ATOM 1184 CD1 TYR A 79 9.958 -6.602 -9.442 1.00 0.00 C ATOM 1185 CD2 TYR A 79 10.892 -4.653 -8.439 1.00 0.00 C ATOM 1186 CE1 TYR A 79 11.140 -7.284 -9.227 1.00 0.00 C ATOM 1187 CE2 TYR A 79 12.080 -5.327 -8.226 1.00 0.00 C ATOM 1188 CZ TYR A 79 12.197 -6.643 -8.617 1.00 0.00 C ATOM 1189 OH TYR A 79 13.376 -7.319 -8.402 1.00 0.00 O ATOM 0 H TYR A 79 9.021 -5.799 -11.470 1.00 0.00 H new ATOM 0 HA TYR A 79 7.517 -3.357 -10.813 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.422 -3.727 -8.567 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.678 -5.206 -9.141 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.134 -7.107 -9.924 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.802 -3.623 -8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.235 -8.315 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.912 -4.825 -7.755 1.00 0.00 H new ATOM 0 HH TYR A 79 14.019 -6.724 -7.963 1.00 0.00 H new ATOM 1199 N THR A 80 9.911 -2.189 -9.939 1.00 0.00 N ATOM 1200 CA THR A 80 11.063 -1.297 -9.975 1.00 0.00 C ATOM 1201 C THR A 80 11.912 -1.511 -8.726 1.00 0.00 C ATOM 1202 O THR A 80 13.140 -1.562 -8.793 1.00 0.00 O ATOM 1203 CB THR A 80 10.614 0.162 -10.066 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.437 0.277 -10.849 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.660 1.074 -10.669 1.00 0.00 C ATOM 0 H THR A 80 9.352 -2.114 -9.089 1.00 0.00 H new ATOM 0 HA THR A 80 11.658 -1.525 -10.859 1.00 0.00 H new ATOM 0 HB THR A 80 10.435 0.474 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.650 0.722 -11.696 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.277 2.094 -10.704 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.563 1.046 -10.058 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.895 0.740 -11.679 1.00 0.00 H new ATOM 1213 N VAL A 81 11.234 -1.675 -7.593 1.00 0.00 N ATOM 1214 CA VAL A 81 11.893 -1.936 -6.319 1.00 0.00 C ATOM 1215 C VAL A 81 11.049 -2.889 -5.472 1.00 0.00 C ATOM 1216 O VAL A 81 9.940 -2.553 -5.070 1.00 0.00 O ATOM 1217 CB VAL A 81 12.144 -0.636 -5.528 1.00 0.00 C ATOM 1218 CG1 VAL A 81 12.650 -0.941 -4.125 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.123 0.262 -6.269 1.00 0.00 C ATOM 0 H VAL A 81 10.217 -1.631 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 81 12.857 -2.393 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 81 11.195 -0.108 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.819 -0.008 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.909 -1.537 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.585 -1.498 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.287 1.174 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.071 -0.261 -6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.714 0.518 -7.247 1.00 0.00 H new ATOM 1229 N LEU A 82 11.581 -4.078 -5.216 1.00 0.00 N ATOM 1230 CA LEU A 82 10.875 -5.095 -4.443 1.00 0.00 C ATOM 1231 C LEU A 82 11.697 -5.535 -3.232 1.00 0.00 C ATOM 1232 O LEU A 82 12.562 -6.404 -3.340 1.00 0.00 O ATOM 1233 CB LEU A 82 10.573 -6.310 -5.333 1.00 0.00 C ATOM 1234 CG LEU A 82 9.101 -6.496 -5.732 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.349 -7.225 -4.633 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.443 -5.159 -6.029 1.00 0.00 C ATOM 0 H LEU A 82 12.507 -4.364 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 82 9.941 -4.662 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.169 -6.228 -6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.906 -7.209 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 82 9.067 -7.097 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.307 -7.351 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.801 -8.203 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.398 -6.645 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.402 -5.320 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.487 -4.527 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.968 -4.670 -6.850 1.00 0.00 H new ATOM 1248 N ASP A 83 11.415 -4.930 -2.079 1.00 0.00 N ATOM 1249 CA ASP A 83 12.119 -5.265 -0.842 1.00 0.00 C ATOM 1250 C ASP A 83 11.129 -5.678 0.242 1.00 0.00 C ATOM 1251 O ASP A 83 9.931 -5.419 0.127 1.00 0.00 O ATOM 1252 CB ASP A 83 12.949 -4.072 -0.362 1.00 0.00 C ATOM 1253 CG ASP A 83 14.073 -3.725 -1.317 1.00 0.00 C ATOM 1254 OD1 ASP A 83 13.782 -3.425 -2.493 1.00 0.00 O ATOM 1255 OD2 ASP A 83 15.247 -3.751 -0.887 1.00 0.00 O ATOM 0 H ASP A 83 10.704 -4.206 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 83 12.787 -6.102 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.298 -3.206 -0.242 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.367 -4.296 0.620 1.00 0.00 H new ATOM 1260 N ILE A 84 11.627 -6.329 1.291 1.00 0.00 N ATOM 1261 CA ILE A 84 10.765 -6.783 2.379 1.00 0.00 C ATOM 1262 C ILE A 84 11.441 -6.644 3.739 1.00 0.00 C ATOM 1263 O ILE A 84 12.590 -6.212 3.839 1.00 0.00 O ATOM 1264 CB ILE A 84 10.335 -8.250 2.185 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.551 -9.180 2.265 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.615 -8.418 0.858 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.196 -10.651 2.225 1.00 0.00 C ATOM 0 H ILE A 84 12.615 -6.552 1.410 1.00 0.00 H new ATOM 0 HA ILE A 84 9.884 -6.141 2.355 1.00 0.00 H new ATOM 0 HB ILE A 84 9.646 -8.520 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.224 -8.955 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.096 -8.972 3.185 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.317 -9.459 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.729 -7.783 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.281 -8.132 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.107 -11.247 2.286 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.548 -10.892 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.678 -10.875 1.293 1.00 0.00 H new ATOM 1279 N GLN A 85 10.704 -7.010 4.783 1.00 0.00 N ATOM 1280 CA GLN A 85 11.202 -6.950 6.150 1.00 0.00 C ATOM 1281 C GLN A 85 10.468 -7.962 7.024 1.00 0.00 C ATOM 1282 O GLN A 85 9.686 -8.771 6.524 1.00 0.00 O ATOM 1283 CB GLN A 85 11.022 -5.542 6.720 1.00 0.00 C ATOM 1284 CG GLN A 85 12.296 -4.954 7.306 1.00 0.00 C ATOM 1285 CD GLN A 85 12.370 -3.449 7.147 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.108 -2.913 6.071 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.726 -2.757 8.223 1.00 0.00 N ATOM 0 H GLN A 85 9.748 -7.355 4.704 1.00 0.00 H new ATOM 0 HA GLN A 85 12.264 -7.194 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.658 -4.884 5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.255 -5.568 7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.355 -5.207 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.159 -5.410 6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.935 -3.242 9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.791 -1.740 8.177 1.00 0.00 H new ATOM 1296 N GLN A 86 10.707 -7.904 8.330 1.00 0.00 N ATOM 1297 CA GLN A 86 10.058 -8.819 9.261 1.00 0.00 C ATOM 1298 C GLN A 86 9.748 -8.131 10.585 1.00 0.00 C ATOM 1299 O GLN A 86 10.531 -7.315 11.072 1.00 0.00 O ATOM 1300 CB GLN A 86 10.941 -10.043 9.505 1.00 0.00 C ATOM 1301 CG GLN A 86 10.156 -11.290 9.881 1.00 0.00 C ATOM 1302 CD GLN A 86 11.030 -12.375 10.479 1.00 0.00 C ATOM 1303 OE1 GLN A 86 12.215 -12.163 10.738 1.00 0.00 O ATOM 1304 NE2 GLN A 86 10.447 -13.547 10.705 1.00 0.00 N ATOM 0 H GLN A 86 11.343 -7.236 8.766 1.00 0.00 H new ATOM 0 HA GLN A 86 9.117 -9.139 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.523 -10.247 8.606 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.651 -9.816 10.300 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.377 -11.022 10.595 1.00 0.00 H new ATOM 0 HG3 GLN A 86 9.655 -11.680 8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.462 -13.679 10.475 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.984 -14.315 11.108 1.00 0.00 H new ATOM 1313 N ASP A 87 8.600 -8.471 11.163 1.00 0.00 N ATOM 1314 CA ASP A 87 8.186 -7.903 12.440 1.00 0.00 C ATOM 1315 C ASP A 87 8.056 -9.002 13.489 1.00 0.00 C ATOM 1316 O ASP A 87 8.699 -10.046 13.385 1.00 0.00 O ATOM 1317 CB ASP A 87 6.857 -7.161 12.282 1.00 0.00 C ATOM 1318 CG ASP A 87 7.043 -5.733 11.810 1.00 0.00 C ATOM 1319 OD1 ASP A 87 7.366 -5.538 10.619 1.00 0.00 O ATOM 1320 OD2 ASP A 87 6.866 -4.808 12.631 1.00 0.00 O ATOM 0 H ASP A 87 7.939 -9.139 10.766 1.00 0.00 H new ATOM 0 HA ASP A 87 8.945 -7.194 12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.228 -7.696 11.571 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.330 -7.159 13.236 1.00 0.00 H new ATOM 1325 N GLY A 88 7.218 -8.768 14.494 1.00 0.00 N ATOM 1326 CA GLY A 88 7.016 -9.762 15.530 1.00 0.00 C ATOM 1327 C GLY A 88 6.370 -11.026 14.991 1.00 0.00 C ATOM 1328 O GLY A 88 7.047 -11.863 14.395 1.00 0.00 O ATOM 0 H GLY A 88 6.677 -7.911 14.609 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.975 -10.011 15.985 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.389 -9.342 16.317 1.00 0.00 H new ATOM 1332 N PRO A 89 5.045 -11.182 15.164 1.00 0.00 N ATOM 1333 CA PRO A 89 4.321 -12.355 14.691 1.00 0.00 C ATOM 1334 C PRO A 89 3.778 -12.176 13.275 1.00 0.00 C ATOM 1335 O PRO A 89 2.895 -12.916 12.845 1.00 0.00 O ATOM 1336 CB PRO A 89 3.175 -12.449 15.692 1.00 0.00 C ATOM 1337 CG PRO A 89 2.868 -11.029 16.045 1.00 0.00 C ATOM 1338 CD PRO A 89 4.149 -10.244 15.867 1.00 0.00 C ATOM 0 HA PRO A 89 4.951 -13.243 14.635 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.308 -12.946 15.257 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.463 -13.023 16.572 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.081 -10.633 15.403 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.510 -10.955 17.072 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.984 -9.337 15.285 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.566 -9.936 16.826 1.00 0.00 H new ATOM 1346 N THR A 90 4.298 -11.179 12.562 1.00 0.00 N ATOM 1347 CA THR A 90 3.851 -10.900 11.200 1.00 0.00 C ATOM 1348 C THR A 90 5.034 -10.598 10.286 1.00 0.00 C ATOM 1349 O THR A 90 6.191 -10.764 10.671 1.00 0.00 O ATOM 1350 CB THR A 90 2.880 -9.716 11.189 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.581 -8.493 11.325 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.840 -9.775 12.288 1.00 0.00 C ATOM 0 H THR A 90 5.027 -10.553 12.904 1.00 0.00 H new ATOM 0 HA THR A 90 3.341 -11.789 10.828 1.00 0.00 H new ATOM 0 HB THR A 90 2.368 -9.776 10.229 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.944 -7.748 11.314 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.187 -8.905 12.218 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.247 -10.683 12.179 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.336 -9.780 13.259 1.00 0.00 H new ATOM 1360 N ILE A 91 4.730 -10.144 9.074 1.00 0.00 N ATOM 1361 CA ILE A 91 5.757 -9.805 8.096 1.00 0.00 C ATOM 1362 C ILE A 91 5.341 -8.583 7.282 1.00 0.00 C ATOM 1363 O ILE A 91 4.154 -8.365 7.039 1.00 0.00 O ATOM 1364 CB ILE A 91 6.037 -10.985 7.143 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.027 -10.563 6.052 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.736 -11.488 6.533 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.932 -11.679 5.578 1.00 0.00 C ATOM 0 H ILE A 91 3.775 -10.002 8.745 1.00 0.00 H new ATOM 0 HA ILE A 91 6.670 -9.579 8.647 1.00 0.00 H new ATOM 0 HB ILE A 91 6.485 -11.800 7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.469 -10.175 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.642 -9.746 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.947 -12.321 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.067 -11.821 7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.261 -10.682 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.603 -11.301 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.518 -12.053 6.417 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.328 -12.488 5.168 1.00 0.00 H new ATOM 1379 N ARG A 92 6.321 -7.781 6.874 1.00 0.00 N ATOM 1380 CA ARG A 92 6.045 -6.574 6.109 1.00 0.00 C ATOM 1381 C ARG A 92 6.803 -6.576 4.782 1.00 0.00 C ATOM 1382 O ARG A 92 7.940 -7.035 4.702 1.00 0.00 O ATOM 1383 CB ARG A 92 6.418 -5.341 6.938 1.00 0.00 C ATOM 1384 CG ARG A 92 6.765 -4.117 6.108 1.00 0.00 C ATOM 1385 CD ARG A 92 7.542 -3.100 6.923 1.00 0.00 C ATOM 1386 NE ARG A 92 6.736 -1.924 7.237 1.00 0.00 N ATOM 1387 CZ ARG A 92 7.139 -0.945 8.041 1.00 0.00 C ATOM 1388 NH1 ARG A 92 8.335 -1.002 8.614 1.00 0.00 N ATOM 1389 NH2 ARG A 92 6.346 0.092 8.274 1.00 0.00 N ATOM 0 H ARG A 92 7.310 -7.947 7.061 1.00 0.00 H new ATOM 0 HA ARG A 92 4.979 -6.544 5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.586 -5.095 7.598 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.268 -5.588 7.574 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.354 -4.418 5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.850 -3.661 5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.886 -3.562 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.430 -2.794 6.370 1.00 0.00 H new ATOM 0 HE ARG A 92 5.810 -1.849 6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.947 -1.798 8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.642 -0.249 9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.426 0.139 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.656 0.843 8.891 1.00 0.00 H new ATOM 1403 N TYR A 93 6.154 -6.057 3.744 1.00 0.00 N ATOM 1404 CA TYR A 93 6.747 -5.966 2.417 1.00 0.00 C ATOM 1405 C TYR A 93 6.551 -4.556 1.865 1.00 0.00 C ATOM 1406 O TYR A 93 5.660 -3.836 2.304 1.00 0.00 O ATOM 1407 CB TYR A 93 6.107 -6.985 1.466 1.00 0.00 C ATOM 1408 CG TYR A 93 5.870 -8.354 2.073 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.866 -8.563 3.013 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.621 -9.450 1.671 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.642 -9.814 3.553 1.00 0.00 C ATOM 1412 CE2 TYR A 93 6.401 -10.705 2.203 1.00 0.00 C ATOM 1413 CZ TYR A 93 5.410 -10.883 3.142 1.00 0.00 C ATOM 1414 OH TYR A 93 5.190 -12.132 3.674 1.00 0.00 O ATOM 0 H TYR A 93 5.204 -5.689 3.800 1.00 0.00 H new ATOM 0 HA TYR A 93 7.812 -6.186 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.154 -6.587 1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.746 -7.096 0.590 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.251 -7.732 3.326 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.393 -9.318 0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.869 -9.955 4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.003 -11.543 1.884 1.00 0.00 H new ATOM 0 HH TYR A 93 5.816 -12.772 3.276 1.00 0.00 H new ATOM 1424 N LEU A 94 7.409 -4.143 0.940 1.00 0.00 N ATOM 1425 CA LEU A 94 7.296 -2.809 0.356 1.00 0.00 C ATOM 1426 C LEU A 94 7.935 -2.745 -1.022 1.00 0.00 C ATOM 1427 O LEU A 94 8.968 -3.366 -1.272 1.00 0.00 O ATOM 1428 CB LEU A 94 7.943 -1.770 1.274 1.00 0.00 C ATOM 1429 CG LEU A 94 9.053 -2.306 2.182 1.00 0.00 C ATOM 1430 CD1 LEU A 94 10.269 -1.394 2.133 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.548 -2.451 3.609 1.00 0.00 C ATOM 0 H LEU A 94 8.182 -4.703 0.581 1.00 0.00 H new ATOM 0 HA LEU A 94 6.234 -2.587 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.354 -0.970 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.167 -1.326 1.898 1.00 0.00 H new ATOM 0 HG LEU A 94 9.350 -3.291 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.048 -1.791 2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.643 -1.341 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.989 -0.396 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.349 -2.833 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.224 -1.479 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.708 -3.145 3.629 1.00 0.00 H new ATOM 1443 N ILE A 95 7.323 -1.968 -1.908 1.00 0.00 N ATOM 1444 CA ILE A 95 7.847 -1.777 -3.253 1.00 0.00 C ATOM 1445 C ILE A 95 7.802 -0.300 -3.632 1.00 0.00 C ATOM 1446 O ILE A 95 7.061 0.475 -3.033 1.00 0.00 O ATOM 1447 CB ILE A 95 7.089 -2.630 -4.302 1.00 0.00 C ATOM 1448 CG1 ILE A 95 5.985 -1.821 -4.999 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.490 -3.868 -3.646 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.427 -1.174 -6.294 1.00 0.00 C ATOM 0 H ILE A 95 6.460 -1.459 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 95 8.883 -2.115 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 95 7.811 -2.937 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.139 -2.478 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.631 -1.046 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.961 -4.457 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.287 -4.469 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.793 -3.565 -2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.594 -0.621 -6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.253 -0.490 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.753 -1.944 -6.993 1.00 0.00 H new ATOM 1462 N GLN A 96 8.617 0.092 -4.604 1.00 0.00 N ATOM 1463 CA GLN A 96 8.655 1.482 -5.043 1.00 0.00 C ATOM 1464 C GLN A 96 9.126 1.589 -6.492 1.00 0.00 C ATOM 1465 O GLN A 96 9.716 0.654 -7.035 1.00 0.00 O ATOM 1466 CB GLN A 96 9.571 2.302 -4.126 1.00 0.00 C ATOM 1467 CG GLN A 96 10.993 2.452 -4.649 1.00 0.00 C ATOM 1468 CD GLN A 96 12.010 2.626 -3.540 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.843 2.104 -2.438 1.00 0.00 O ATOM 1470 NE2 GLN A 96 13.076 3.365 -3.828 1.00 0.00 N ATOM 0 H GLN A 96 9.257 -0.528 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 96 7.643 1.883 -4.986 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.138 3.293 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.603 1.829 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.253 1.574 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.041 3.311 -5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.174 3.779 -4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.796 3.518 -3.122 1.00 0.00 H new ATOM 1479 N LYS A 97 8.882 2.745 -7.104 1.00 0.00 N ATOM 1480 CA LYS A 97 9.300 2.988 -8.481 1.00 0.00 C ATOM 1481 C LYS A 97 10.176 4.236 -8.562 1.00 0.00 C ATOM 1482 O LYS A 97 11.211 4.186 -9.260 1.00 0.00 O ATOM 1483 CB LYS A 97 8.075 3.134 -9.392 1.00 0.00 C ATOM 1484 CG LYS A 97 8.299 4.037 -10.599 1.00 0.00 C ATOM 1485 CD LYS A 97 9.221 3.392 -11.620 1.00 0.00 C ATOM 1486 CE LYS A 97 9.755 4.415 -12.610 1.00 0.00 C ATOM 1487 NZ LYS A 97 11.172 4.775 -12.325 1.00 0.00 N ATOM 1488 OXT LYS A 97 9.821 5.251 -7.927 1.00 0.00 O ATOM 0 H LYS A 97 8.396 3.529 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 97 9.886 2.134 -8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.776 2.146 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.245 3.529 -8.806 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.341 4.264 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.726 4.984 -10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.054 2.910 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.682 2.611 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.678 4.016 -13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.138 5.313 -12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.331 5.775 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.372 4.623 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.803 4.178 -12.897 1.00 0.00 H new