USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 867 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 76 MET CE :methyl -119:sc= -0.0178 (180deg=-0.889) USER MOD Set 1.2: A 83 SER OG : rot -20:sc= -0.6 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -5.78! K(o=-5.9!,f=-2) USER MOD Set 2.2: A 49 ASN : amide:sc= -0.108 K(o=-5.9,f=-4.6) USER MOD Single : A 19 SER OG : rot 180:sc= -0.22 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 42:sc= 1.15 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.37) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.799 USER MOD Single : A 42 THR OG1 : rot 66:sc= -0.416 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.24! C(o=-5.2!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.68 X(o=-0.68,f=-0.77) USER MOD Single : A 60 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= -0.0685 (180deg=-0.972) USER MOD Single : A 68 CYS SG : rot -100:sc= -3.61! USER MOD Single : A 79 ASN : amide:sc= -0.0999 K(o=-0.1,f=-1.7!) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= 1.11 (180deg=0.524) USER MOD Single : A 82 TYR OH : rot -50:sc= -0.506 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0094 USER MOD Single : A 93 SER OG : rot 169:sc= -0.83 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 101 ASN : amide:sc= -1.31 K(o=-1.3,f=-5.6!) USER MOD Single : A 103 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.001) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -128:sc= -0.675 (180deg=-3.66!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 14:sc= 0.583 USER MOD Single : A 130 SER OG : rot 180:sc= -0.175 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -20.284 18.299 -1.524 1.00 0.00 N ATOM 2 CA GLY A 18 -21.109 17.553 -2.456 1.00 0.00 C ATOM 3 C GLY A 18 -21.417 16.152 -1.966 1.00 0.00 C ATOM 4 O GLY A 18 -22.555 15.690 -2.062 1.00 0.00 O ATOM 0 HA2 GLY A 18 -22.043 18.090 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.602 17.494 -3.419 1.00 0.00 H new ATOM 8 N SER A 19 -20.402 15.474 -1.441 1.00 0.00 N ATOM 9 CA SER A 19 -20.570 14.115 -0.940 1.00 0.00 C ATOM 10 C SER A 19 -19.514 13.791 0.113 1.00 0.00 C ATOM 11 O SER A 19 -18.317 13.952 -0.122 1.00 0.00 O ATOM 12 CB SER A 19 -20.485 13.110 -2.091 1.00 0.00 C ATOM 13 OG SER A 19 -21.434 13.408 -3.099 1.00 0.00 O ATOM 0 H SER A 19 -19.455 15.843 -1.351 1.00 0.00 H new ATOM 0 HA SER A 19 -21.554 14.043 -0.477 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.482 13.124 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.657 12.103 -1.712 1.00 0.00 H new ATOM 0 HG SER A 19 -21.358 12.753 -3.824 1.00 0.00 H new ATOM 19 N SER A 20 -19.968 13.332 1.275 1.00 0.00 N ATOM 20 CA SER A 20 -19.064 12.989 2.367 1.00 0.00 C ATOM 21 C SER A 20 -18.816 11.484 2.413 1.00 0.00 C ATOM 22 O SER A 20 -19.487 10.711 1.731 1.00 0.00 O ATOM 23 CB SER A 20 -19.640 13.464 3.702 1.00 0.00 C ATOM 24 OG SER A 20 -19.775 14.874 3.726 1.00 0.00 O ATOM 0 H SER A 20 -20.956 13.189 1.485 1.00 0.00 H new ATOM 0 HA SER A 20 -18.113 13.491 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 20 -20.612 13.000 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.990 13.144 4.517 1.00 0.00 H new ATOM 0 HG SER A 20 -20.147 15.152 4.589 1.00 0.00 H new ATOM 30 N GLY A 21 -17.846 11.075 3.225 1.00 0.00 N ATOM 31 CA GLY A 21 -17.525 9.665 3.347 1.00 0.00 C ATOM 32 C GLY A 21 -16.579 9.383 4.497 1.00 0.00 C ATOM 33 O GLY A 21 -16.849 9.755 5.638 1.00 0.00 O ATOM 0 H GLY A 21 -17.277 11.695 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -18.445 9.097 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.076 9.316 2.417 1.00 0.00 H new ATOM 37 N SER A 22 -15.466 8.721 4.196 1.00 0.00 N ATOM 38 CA SER A 22 -14.478 8.384 5.214 1.00 0.00 C ATOM 39 C SER A 22 -13.400 9.460 5.302 1.00 0.00 C ATOM 40 O SER A 22 -12.553 9.579 4.418 1.00 0.00 O ATOM 41 CB SER A 22 -13.839 7.028 4.906 1.00 0.00 C ATOM 42 OG SER A 22 -13.050 7.093 3.730 1.00 0.00 O ATOM 0 H SER A 22 -15.226 8.408 3.255 1.00 0.00 H new ATOM 0 HA SER A 22 -14.988 8.327 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.220 6.715 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.617 6.274 4.785 1.00 0.00 H new ATOM 0 HG SER A 22 -12.534 7.926 3.728 1.00 0.00 H new ATOM 48 N SER A 23 -13.439 10.241 6.377 1.00 0.00 N ATOM 49 CA SER A 23 -12.469 11.310 6.581 1.00 0.00 C ATOM 50 C SER A 23 -11.046 10.800 6.367 1.00 0.00 C ATOM 51 O SER A 23 -10.324 11.288 5.499 1.00 0.00 O ATOM 52 CB SER A 23 -12.607 11.893 7.988 1.00 0.00 C ATOM 53 OG SER A 23 -11.566 12.814 8.265 1.00 0.00 O ATOM 0 H SER A 23 -14.132 10.153 7.120 1.00 0.00 H new ATOM 0 HA SER A 23 -12.670 12.093 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.572 12.391 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.588 11.087 8.722 1.00 0.00 H new ATOM 0 HG SER A 23 -11.679 13.173 9.170 1.00 0.00 H new ATOM 59 N GLY A 24 -10.651 9.814 7.167 1.00 0.00 N ATOM 60 CA GLY A 24 -9.318 9.254 7.051 1.00 0.00 C ATOM 61 C GLY A 24 -9.324 7.738 7.039 1.00 0.00 C ATOM 62 O GLY A 24 -10.337 7.117 6.715 1.00 0.00 O ATOM 0 H GLY A 24 -11.231 9.393 7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.852 9.619 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.706 9.605 7.882 1.00 0.00 H new ATOM 66 N ALA A 25 -8.191 7.140 7.393 1.00 0.00 N ATOM 67 CA ALA A 25 -8.071 5.688 7.422 1.00 0.00 C ATOM 68 C ALA A 25 -9.181 5.062 8.259 1.00 0.00 C ATOM 69 O ALA A 25 -10.082 5.755 8.732 1.00 0.00 O ATOM 70 CB ALA A 25 -6.708 5.282 7.961 1.00 0.00 C ATOM 0 H ALA A 25 -7.343 7.639 7.664 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.170 5.319 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.632 4.195 7.977 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.927 5.691 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.587 5.669 8.973 1.00 0.00 H new ATOM 76 N LYS A 26 -9.111 3.747 8.438 1.00 0.00 N ATOM 77 CA LYS A 26 -10.109 3.026 9.219 1.00 0.00 C ATOM 78 C LYS A 26 -9.558 2.646 10.589 1.00 0.00 C ATOM 79 O LYS A 26 -10.314 2.461 11.544 1.00 0.00 O ATOM 80 CB LYS A 26 -10.561 1.769 8.471 1.00 0.00 C ATOM 81 CG LYS A 26 -11.746 2.000 7.551 1.00 0.00 C ATOM 82 CD LYS A 26 -11.406 2.975 6.437 1.00 0.00 C ATOM 83 CE LYS A 26 -10.847 2.256 5.218 1.00 0.00 C ATOM 84 NZ LYS A 26 -10.920 3.101 3.994 1.00 0.00 N ATOM 0 H LYS A 26 -8.373 3.159 8.052 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.966 3.684 9.363 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.726 1.386 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.821 0.998 9.197 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.064 1.050 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.586 2.385 8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.299 3.532 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.678 3.702 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.810 1.976 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.402 1.332 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.530 2.576 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.912 3.347 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.370 3.971 4.140 1.00 0.00 H new ATOM 98 N HIS A 27 -8.237 2.533 10.679 1.00 0.00 N ATOM 99 CA HIS A 27 -7.584 2.177 11.934 1.00 0.00 C ATOM 100 C HIS A 27 -6.648 3.290 12.395 1.00 0.00 C ATOM 101 O HIS A 27 -6.444 4.277 11.686 1.00 0.00 O ATOM 102 CB HIS A 27 -6.804 0.871 11.776 1.00 0.00 C ATOM 103 CG HIS A 27 -6.238 0.675 10.403 1.00 0.00 C ATOM 104 ND1 HIS A 27 -4.906 0.403 10.170 1.00 0.00 N ATOM 105 CD2 HIS A 27 -6.832 0.710 9.187 1.00 0.00 C ATOM 106 CE1 HIS A 27 -4.705 0.282 8.870 1.00 0.00 C ATOM 107 NE2 HIS A 27 -5.858 0.463 8.251 1.00 0.00 N ATOM 0 H HIS A 27 -7.598 2.683 9.898 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.357 2.040 12.690 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.991 0.853 12.502 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.461 0.034 12.012 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.877 0.897 8.990 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.759 0.071 8.394 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.001 0.425 7.242 1.00 0.00 H new ATOM 115 N THR A 28 -6.082 3.126 13.587 1.00 0.00 N ATOM 116 CA THR A 28 -5.170 4.117 14.143 1.00 0.00 C ATOM 117 C THR A 28 -3.718 3.746 13.863 1.00 0.00 C ATOM 118 O THR A 28 -2.865 4.618 13.696 1.00 0.00 O ATOM 119 CB THR A 28 -5.366 4.271 15.663 1.00 0.00 C ATOM 120 OG1 THR A 28 -6.762 4.356 15.970 1.00 0.00 O ATOM 121 CG2 THR A 28 -4.651 5.511 16.178 1.00 0.00 C ATOM 0 H THR A 28 -6.240 2.315 14.186 1.00 0.00 H new ATOM 0 HA THR A 28 -5.399 5.066 13.657 1.00 0.00 H new ATOM 0 HB THR A 28 -4.939 3.396 16.153 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.879 4.452 16.938 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.804 5.599 17.254 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.584 5.429 15.968 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.052 6.395 15.681 1.00 0.00 H new ATOM 129 N LEU A 29 -3.444 2.447 13.816 1.00 0.00 N ATOM 130 CA LEU A 29 -2.094 1.959 13.556 1.00 0.00 C ATOM 131 C LEU A 29 -1.366 2.868 12.569 1.00 0.00 C ATOM 132 O LEU A 29 -0.166 3.110 12.700 1.00 0.00 O ATOM 133 CB LEU A 29 -2.141 0.531 13.010 1.00 0.00 C ATOM 134 CG LEU A 29 -2.287 -0.580 14.051 1.00 0.00 C ATOM 135 CD1 LEU A 29 -3.752 -0.800 14.396 1.00 0.00 C ATOM 136 CD2 LEU A 29 -1.658 -1.870 13.545 1.00 0.00 C ATOM 0 H LEU A 29 -4.138 1.713 13.954 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.547 1.963 14.499 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.974 0.458 12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.229 0.351 12.441 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.764 -0.274 14.957 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.836 -1.594 15.138 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.173 0.121 14.801 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.299 -1.084 13.497 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.771 -2.650 14.298 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.153 -2.180 12.625 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.598 -1.706 13.349 1.00 0.00 H new ATOM 148 N LEU A 30 -2.102 3.371 11.585 1.00 0.00 N ATOM 149 CA LEU A 30 -1.528 4.256 10.577 1.00 0.00 C ATOM 150 C LEU A 30 -1.147 5.602 11.187 1.00 0.00 C ATOM 151 O LEU A 30 0.026 5.978 11.202 1.00 0.00 O ATOM 152 CB LEU A 30 -2.519 4.467 9.431 1.00 0.00 C ATOM 153 CG LEU A 30 -2.718 3.277 8.490 1.00 0.00 C ATOM 154 CD1 LEU A 30 -4.110 3.309 7.877 1.00 0.00 C ATOM 155 CD2 LEU A 30 -1.654 3.273 7.402 1.00 0.00 C ATOM 0 H LEU A 30 -3.097 3.182 11.463 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.625 3.785 10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.486 4.733 9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.185 5.320 8.840 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.619 2.359 9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.234 2.455 7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.857 3.263 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.237 4.232 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.811 2.420 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.720 4.195 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.667 3.201 7.859 1.00 0.00 H new ATOM 167 N ARG A 31 -2.145 6.322 11.690 1.00 0.00 N ATOM 168 CA ARG A 31 -1.914 7.624 12.303 1.00 0.00 C ATOM 169 C ARG A 31 -0.694 7.585 13.220 1.00 0.00 C ATOM 170 O ARG A 31 0.224 8.394 13.083 1.00 0.00 O ATOM 171 CB ARG A 31 -3.147 8.065 13.094 1.00 0.00 C ATOM 172 CG ARG A 31 -2.968 9.394 13.809 1.00 0.00 C ATOM 173 CD ARG A 31 -4.305 9.988 14.223 1.00 0.00 C ATOM 174 NE ARG A 31 -4.171 11.365 14.692 1.00 0.00 N ATOM 175 CZ ARG A 31 -5.159 12.048 15.259 1.00 0.00 C ATOM 176 NH1 ARG A 31 -6.346 11.483 15.430 1.00 0.00 N ATOM 177 NH2 ARG A 31 -4.960 13.297 15.659 1.00 0.00 N ATOM 0 H ARG A 31 -3.121 6.025 11.685 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.725 8.344 11.507 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.997 8.139 12.415 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.391 7.297 13.828 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.343 9.253 14.691 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.445 10.092 13.156 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.992 9.958 13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.744 9.377 15.012 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.269 11.827 14.578 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.502 10.522 15.126 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.103 12.009 15.866 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.047 13.734 15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.720 13.820 16.094 1.00 0.00 H new ATOM 191 N HIS A 32 -0.693 6.641 14.155 1.00 0.00 N ATOM 192 CA HIS A 32 0.414 6.496 15.094 1.00 0.00 C ATOM 193 C HIS A 32 1.754 6.621 14.377 1.00 0.00 C ATOM 194 O HIS A 32 2.535 7.531 14.655 1.00 0.00 O ATOM 195 CB HIS A 32 0.328 5.149 15.812 1.00 0.00 C ATOM 196 CG HIS A 32 -0.703 5.112 16.896 1.00 0.00 C ATOM 197 ND1 HIS A 32 -1.569 4.054 17.076 1.00 0.00 N ATOM 198 CD2 HIS A 32 -1.003 6.011 17.864 1.00 0.00 C ATOM 199 CE1 HIS A 32 -2.359 4.304 18.104 1.00 0.00 C ATOM 200 NE2 HIS A 32 -2.037 5.485 18.600 1.00 0.00 N ATOM 0 H HIS A 32 -1.446 5.965 14.283 1.00 0.00 H new ATOM 0 HA HIS A 32 0.341 7.296 15.831 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.103 4.371 15.082 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.302 4.912 16.240 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.520 6.963 18.027 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.136 3.653 18.476 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.484 5.934 19.400 1.00 0.00 H new ATOM 208 N GLU A 33 2.015 5.700 13.454 1.00 0.00 N ATOM 209 CA GLU A 33 3.263 5.707 12.700 1.00 0.00 C ATOM 210 C GLU A 33 3.583 7.109 12.191 1.00 0.00 C ATOM 211 O GLU A 33 4.729 7.555 12.247 1.00 0.00 O ATOM 212 CB GLU A 33 3.178 4.734 11.522 1.00 0.00 C ATOM 213 CG GLU A 33 3.006 3.283 11.943 1.00 0.00 C ATOM 214 CD GLU A 33 4.210 2.747 12.692 1.00 0.00 C ATOM 215 OE1 GLU A 33 5.273 2.574 12.062 1.00 0.00 O ATOM 216 OE2 GLU A 33 4.087 2.501 13.910 1.00 0.00 O ATOM 0 H GLU A 33 1.379 4.940 13.211 1.00 0.00 H new ATOM 0 HA GLU A 33 4.063 5.390 13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.342 5.020 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.083 4.824 10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.121 3.194 12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.830 2.670 11.059 1.00 0.00 H new ATOM 223 N GLY A 34 2.562 7.802 11.696 1.00 0.00 N ATOM 224 CA GLY A 34 2.755 9.146 11.184 1.00 0.00 C ATOM 225 C GLY A 34 2.740 9.198 9.669 1.00 0.00 C ATOM 226 O GLY A 34 3.645 9.761 9.052 1.00 0.00 O ATOM 0 H GLY A 34 1.604 7.456 11.640 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.972 9.796 11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.705 9.537 11.548 1.00 0.00 H new ATOM 230 N ILE A 35 1.712 8.608 9.068 1.00 0.00 N ATOM 231 CA ILE A 35 1.584 8.589 7.617 1.00 0.00 C ATOM 232 C ILE A 35 0.523 9.576 7.145 1.00 0.00 C ATOM 233 O ILE A 35 -0.585 9.613 7.679 1.00 0.00 O ATOM 234 CB ILE A 35 1.226 7.183 7.101 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.348 6.194 7.429 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.965 7.218 5.603 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.967 4.749 7.193 1.00 0.00 C ATOM 0 H ILE A 35 0.956 8.137 9.564 1.00 0.00 H new ATOM 0 HA ILE A 35 2.553 8.880 7.212 1.00 0.00 H new ATOM 0 HB ILE A 35 0.316 6.850 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.222 6.435 6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.638 6.319 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.713 6.217 5.254 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.136 7.894 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.858 7.568 5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.809 4.105 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.112 4.491 7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.705 4.608 6.144 1.00 0.00 H new ATOM 249 N GLU A 36 0.870 10.375 6.141 1.00 0.00 N ATOM 250 CA GLU A 36 -0.055 11.363 5.597 1.00 0.00 C ATOM 251 C GLU A 36 -0.547 10.945 4.215 1.00 0.00 C ATOM 252 O GLU A 36 0.212 10.949 3.245 1.00 0.00 O ATOM 253 CB GLU A 36 0.619 12.735 5.517 1.00 0.00 C ATOM 254 CG GLU A 36 1.020 13.296 6.871 1.00 0.00 C ATOM 255 CD GLU A 36 1.145 14.807 6.862 1.00 0.00 C ATOM 256 OE1 GLU A 36 1.878 15.337 6.001 1.00 0.00 O ATOM 257 OE2 GLU A 36 0.511 15.460 7.717 1.00 0.00 O ATOM 0 H GLU A 36 1.784 10.358 5.688 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.914 11.426 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.506 12.659 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.059 13.436 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.281 13.001 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.971 12.858 7.174 1.00 0.00 H new ATOM 264 N THR A 37 -1.823 10.583 4.132 1.00 0.00 N ATOM 265 CA THR A 37 -2.418 10.159 2.871 1.00 0.00 C ATOM 266 C THR A 37 -3.496 11.137 2.415 1.00 0.00 C ATOM 267 O THR A 37 -4.293 11.618 3.221 1.00 0.00 O ATOM 268 CB THR A 37 -3.032 8.751 2.983 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.225 8.799 3.773 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.043 7.778 3.607 1.00 0.00 C ATOM 0 H THR A 37 -2.465 10.575 4.924 1.00 0.00 H new ATOM 0 HA THR A 37 -1.615 10.138 2.135 1.00 0.00 H new ATOM 0 HB THR A 37 -3.275 8.403 1.979 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.611 7.900 3.838 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.499 6.790 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.148 7.722 2.988 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.773 8.123 4.605 1.00 0.00 H new ATOM 278 N VAL A 38 -3.515 11.427 1.118 1.00 0.00 N ATOM 279 CA VAL A 38 -4.497 12.346 0.555 1.00 0.00 C ATOM 280 C VAL A 38 -5.812 11.633 0.260 1.00 0.00 C ATOM 281 O VAL A 38 -5.921 10.417 0.424 1.00 0.00 O ATOM 282 CB VAL A 38 -3.978 12.998 -0.740 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.740 13.836 -0.457 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.685 11.936 -1.790 1.00 0.00 C ATOM 0 H VAL A 38 -2.862 11.039 0.438 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.667 13.122 1.301 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.753 13.658 -1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.388 14.289 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.987 14.620 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.957 13.200 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.319 12.414 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.928 11.249 -1.411 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.598 11.383 -2.013 1.00 0.00 H new ATOM 294 N SER A 39 -6.808 12.396 -0.176 1.00 0.00 N ATOM 295 CA SER A 39 -8.118 11.837 -0.492 1.00 0.00 C ATOM 296 C SER A 39 -8.202 11.448 -1.964 1.00 0.00 C ATOM 297 O SER A 39 -8.679 10.366 -2.306 1.00 0.00 O ATOM 298 CB SER A 39 -9.220 12.845 -0.154 1.00 0.00 C ATOM 299 OG SER A 39 -10.455 12.189 0.078 1.00 0.00 O ATOM 0 H SER A 39 -6.734 13.403 -0.319 1.00 0.00 H new ATOM 0 HA SER A 39 -8.259 10.940 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.936 13.417 0.730 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.330 13.557 -0.972 1.00 0.00 H new ATOM 0 HG SER A 39 -11.143 12.853 0.294 1.00 0.00 H new ATOM 305 N TYR A 40 -7.736 12.339 -2.833 1.00 0.00 N ATOM 306 CA TYR A 40 -7.761 12.092 -4.269 1.00 0.00 C ATOM 307 C TYR A 40 -6.833 10.938 -4.639 1.00 0.00 C ATOM 308 O TYR A 40 -6.078 10.442 -3.804 1.00 0.00 O ATOM 309 CB TYR A 40 -7.353 13.353 -5.032 1.00 0.00 C ATOM 310 CG TYR A 40 -6.134 14.039 -4.460 1.00 0.00 C ATOM 311 CD1 TYR A 40 -4.855 13.569 -4.732 1.00 0.00 C ATOM 312 CD2 TYR A 40 -6.261 15.160 -3.648 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.739 14.194 -4.210 1.00 0.00 C ATOM 314 CE2 TYR A 40 -5.149 15.791 -3.124 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.891 15.304 -3.407 1.00 0.00 C ATOM 316 OH TYR A 40 -2.781 15.929 -2.887 1.00 0.00 O ATOM 0 H TYR A 40 -7.336 13.239 -2.567 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.779 11.820 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.158 13.091 -6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.188 14.054 -5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.731 12.701 -5.362 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.245 15.544 -3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.752 13.815 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.265 16.662 -2.496 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.061 16.695 -2.344 1.00 0.00 H new ATOM 326 N ALA A 41 -6.896 10.517 -5.898 1.00 0.00 N ATOM 327 CA ALA A 41 -6.061 9.424 -6.381 1.00 0.00 C ATOM 328 C ALA A 41 -4.607 9.865 -6.520 1.00 0.00 C ATOM 329 O ALA A 41 -4.324 11.027 -6.809 1.00 0.00 O ATOM 330 CB ALA A 41 -6.586 8.906 -7.711 1.00 0.00 C ATOM 0 H ALA A 41 -7.517 10.916 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.101 8.618 -5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.953 8.090 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.606 8.544 -7.583 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.576 9.712 -8.445 1.00 0.00 H new ATOM 336 N THR A 42 -3.687 8.927 -6.311 1.00 0.00 N ATOM 337 CA THR A 42 -2.263 9.219 -6.411 1.00 0.00 C ATOM 338 C THR A 42 -1.493 8.020 -6.953 1.00 0.00 C ATOM 339 O THR A 42 -1.606 6.912 -6.430 1.00 0.00 O ATOM 340 CB THR A 42 -1.674 9.618 -5.044 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.961 8.607 -4.073 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.240 10.951 -4.580 1.00 0.00 C ATOM 0 H THR A 42 -3.904 7.959 -6.072 1.00 0.00 H new ATOM 0 HA THR A 42 -2.159 10.056 -7.101 1.00 0.00 H new ATOM 0 HB THR A 42 -0.594 9.719 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.488 7.782 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.810 11.212 -3.613 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.993 11.724 -5.308 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.323 10.874 -4.486 1.00 0.00 H new ATOM 350 N GLN A 43 -0.710 8.251 -8.003 1.00 0.00 N ATOM 351 CA GLN A 43 0.079 7.188 -8.614 1.00 0.00 C ATOM 352 C GLN A 43 0.675 6.271 -7.550 1.00 0.00 C ATOM 353 O GLN A 43 0.842 5.072 -7.774 1.00 0.00 O ATOM 354 CB GLN A 43 1.194 7.782 -9.475 1.00 0.00 C ATOM 355 CG GLN A 43 0.764 8.092 -10.900 1.00 0.00 C ATOM 356 CD GLN A 43 1.881 8.689 -11.731 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.117 9.898 -11.698 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.578 7.845 -12.482 1.00 0.00 N ATOM 0 H GLN A 43 -0.606 9.163 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.583 6.597 -9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.555 8.697 -9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.032 7.085 -9.501 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.412 7.177 -11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.077 8.785 -10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.349 6.851 -12.479 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.343 8.190 -13.062 1.00 0.00 H new ATOM 367 N SER A 44 0.995 6.844 -6.394 1.00 0.00 N ATOM 368 CA SER A 44 1.577 6.080 -5.298 1.00 0.00 C ATOM 369 C SER A 44 0.495 5.596 -4.338 1.00 0.00 C ATOM 370 O SER A 44 -0.605 6.149 -4.293 1.00 0.00 O ATOM 371 CB SER A 44 2.601 6.929 -4.543 1.00 0.00 C ATOM 372 OG SER A 44 3.669 7.315 -5.391 1.00 0.00 O ATOM 0 H SER A 44 0.861 7.835 -6.193 1.00 0.00 H new ATOM 0 HA SER A 44 2.079 5.210 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.115 7.817 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.991 6.365 -3.695 1.00 0.00 H new ATOM 0 HG SER A 44 4.309 7.858 -4.885 1.00 0.00 H new ATOM 378 N LEU A 45 0.813 4.557 -3.573 1.00 0.00 N ATOM 379 CA LEU A 45 -0.132 3.996 -2.613 1.00 0.00 C ATOM 380 C LEU A 45 0.599 3.407 -1.410 1.00 0.00 C ATOM 381 O LEU A 45 1.784 3.086 -1.488 1.00 0.00 O ATOM 382 CB LEU A 45 -0.990 2.920 -3.280 1.00 0.00 C ATOM 383 CG LEU A 45 -1.950 3.407 -4.367 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.363 2.253 -5.269 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.172 4.064 -3.744 1.00 0.00 C ATOM 0 H LEU A 45 1.717 4.086 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.778 4.801 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.327 2.173 -3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.572 2.417 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.434 4.150 -4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.046 2.617 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.479 1.827 -5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.861 1.487 -4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.844 4.404 -4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.690 3.343 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.859 4.916 -3.141 1.00 0.00 H new ATOM 397 N VAL A 46 -0.118 3.267 -0.300 1.00 0.00 N ATOM 398 CA VAL A 46 0.461 2.712 0.918 1.00 0.00 C ATOM 399 C VAL A 46 -0.336 1.508 1.407 1.00 0.00 C ATOM 400 O VAL A 46 -1.532 1.612 1.683 1.00 0.00 O ATOM 401 CB VAL A 46 0.521 3.765 2.041 1.00 0.00 C ATOM 402 CG1 VAL A 46 -0.878 4.249 2.394 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.223 3.198 3.266 1.00 0.00 C ATOM 0 H VAL A 46 -1.100 3.530 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 46 1.475 2.396 0.671 1.00 0.00 H new ATOM 0 HB VAL A 46 1.096 4.619 1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.816 4.992 3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.341 4.696 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.480 3.406 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.256 3.955 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.677 2.326 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.239 2.906 3.000 1.00 0.00 H new ATOM 413 N VAL A 47 0.333 0.365 1.514 1.00 0.00 N ATOM 414 CA VAL A 47 -0.312 -0.860 1.971 1.00 0.00 C ATOM 415 C VAL A 47 -0.346 -0.927 3.494 1.00 0.00 C ATOM 416 O VAL A 47 0.696 -0.965 4.147 1.00 0.00 O ATOM 417 CB VAL A 47 0.406 -2.109 1.429 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.514 -3.319 1.481 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.901 -1.866 0.011 1.00 0.00 C ATOM 0 H VAL A 47 1.323 0.262 1.290 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.332 -0.843 1.588 1.00 0.00 H new ATOM 0 HB VAL A 47 1.270 -2.312 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.011 -4.192 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.814 -3.504 2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.399 -3.129 0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.406 -2.759 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.054 -1.636 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.598 -1.028 0.008 1.00 0.00 H new ATOM 429 N ALA A 48 -1.552 -0.942 4.053 1.00 0.00 N ATOM 430 CA ALA A 48 -1.722 -1.006 5.500 1.00 0.00 C ATOM 431 C ALA A 48 -1.821 -2.452 5.976 1.00 0.00 C ATOM 432 O ALA A 48 -2.067 -3.361 5.183 1.00 0.00 O ATOM 433 CB ALA A 48 -2.957 -0.224 5.921 1.00 0.00 C ATOM 0 H ALA A 48 -2.425 -0.911 3.526 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.845 -0.556 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.072 -0.280 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.847 0.818 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.838 -0.649 5.440 1.00 0.00 H new ATOM 439 N ASN A 49 -1.628 -2.657 7.274 1.00 0.00 N ATOM 440 CA ASN A 49 -1.694 -3.992 7.857 1.00 0.00 C ATOM 441 C ASN A 49 -0.828 -4.972 7.070 1.00 0.00 C ATOM 442 O ASN A 49 -1.083 -6.175 7.063 1.00 0.00 O ATOM 443 CB ASN A 49 -3.142 -4.487 7.888 1.00 0.00 C ATOM 444 CG ASN A 49 -4.055 -3.553 8.661 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.602 -2.571 9.249 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.347 -3.858 8.663 1.00 0.00 N ATOM 0 H ASN A 49 -1.424 -1.915 7.943 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.314 -3.935 8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.510 -4.589 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.175 -5.479 8.339 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.010 -3.268 9.166 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.677 -4.682 8.161 1.00 0.00 H new ATOM 453 N GLY A 50 0.198 -4.446 6.407 1.00 0.00 N ATOM 454 CA GLY A 50 1.087 -5.288 5.627 1.00 0.00 C ATOM 455 C GLY A 50 2.546 -5.074 5.980 1.00 0.00 C ATOM 456 O GLY A 50 2.924 -5.141 7.149 1.00 0.00 O ATOM 0 H GLY A 50 0.429 -3.453 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.827 -6.334 5.789 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.939 -5.083 4.567 1.00 0.00 H new ATOM 460 N GLY A 51 3.367 -4.819 4.967 1.00 0.00 N ATOM 461 CA GLY A 51 4.783 -4.603 5.198 1.00 0.00 C ATOM 462 C GLY A 51 5.480 -5.838 5.731 1.00 0.00 C ATOM 463 O GLY A 51 4.848 -6.702 6.339 1.00 0.00 O ATOM 0 H GLY A 51 3.077 -4.758 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.257 -4.296 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.911 -3.784 5.905 1.00 0.00 H new ATOM 467 N LEU A 52 6.786 -5.924 5.503 1.00 0.00 N ATOM 468 CA LEU A 52 7.570 -7.064 5.964 1.00 0.00 C ATOM 469 C LEU A 52 7.199 -7.438 7.395 1.00 0.00 C ATOM 470 O LEU A 52 6.879 -8.590 7.684 1.00 0.00 O ATOM 471 CB LEU A 52 9.065 -6.750 5.878 1.00 0.00 C ATOM 472 CG LEU A 52 9.591 -6.368 4.494 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.915 -5.628 4.613 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.747 -7.606 3.623 1.00 0.00 C ATOM 0 H LEU A 52 7.324 -5.218 5.001 1.00 0.00 H new ATOM 0 HA LEU A 52 7.346 -7.912 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.285 -5.934 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.620 -7.621 6.228 1.00 0.00 H new ATOM 0 HG LEU A 52 8.867 -5.704 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.275 -5.364 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.773 -4.721 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.647 -6.268 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.122 -7.316 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.451 -8.294 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.780 -8.096 3.511 1.00 0.00 H new ATOM 486 N GLY A 53 7.240 -6.453 8.287 1.00 0.00 N ATOM 487 CA GLY A 53 6.904 -6.697 9.678 1.00 0.00 C ATOM 488 C GLY A 53 5.713 -7.623 9.833 1.00 0.00 C ATOM 489 O GLY A 53 5.620 -8.368 10.807 1.00 0.00 O ATOM 0 H GLY A 53 7.500 -5.490 8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.766 -7.130 10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.689 -5.748 10.168 1.00 0.00 H new ATOM 493 N ASN A 54 4.798 -7.573 8.869 1.00 0.00 N ATOM 494 CA ASN A 54 3.606 -8.411 8.904 1.00 0.00 C ATOM 495 C ASN A 54 3.844 -9.726 8.167 1.00 0.00 C ATOM 496 O ASN A 54 2.927 -10.293 7.575 1.00 0.00 O ATOM 497 CB ASN A 54 2.419 -7.673 8.282 1.00 0.00 C ATOM 498 CG ASN A 54 1.987 -6.476 9.107 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.816 -5.780 9.693 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.682 -6.231 9.154 1.00 0.00 N ATOM 0 H ASN A 54 4.860 -6.961 8.055 1.00 0.00 H new ATOM 0 HA ASN A 54 3.380 -8.634 9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.686 -7.342 7.278 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.580 -8.361 8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.331 -5.439 9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.031 -6.835 8.652 1.00 0.00 H new ATOM 507 N GLY A 55 5.083 -10.206 8.209 1.00 0.00 N ATOM 508 CA GLY A 55 5.420 -11.450 7.542 1.00 0.00 C ATOM 509 C GLY A 55 5.000 -11.459 6.085 1.00 0.00 C ATOM 510 O GLY A 55 4.704 -12.514 5.524 1.00 0.00 O ATOM 0 H GLY A 55 5.860 -9.755 8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.496 -11.614 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.939 -12.279 8.061 1.00 0.00 H new ATOM 514 N VAL A 56 4.972 -10.281 5.472 1.00 0.00 N ATOM 515 CA VAL A 56 4.584 -10.156 4.072 1.00 0.00 C ATOM 516 C VAL A 56 5.797 -9.885 3.188 1.00 0.00 C ATOM 517 O VAL A 56 6.390 -8.807 3.245 1.00 0.00 O ATOM 518 CB VAL A 56 3.554 -9.030 3.872 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.368 -8.732 2.393 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.229 -9.399 4.521 1.00 0.00 C ATOM 0 H VAL A 56 5.214 -9.398 5.923 1.00 0.00 H new ATOM 0 HA VAL A 56 4.132 -11.105 3.783 1.00 0.00 H new ATOM 0 HB VAL A 56 3.930 -8.128 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.636 -7.933 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.320 -8.421 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.015 -9.628 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.513 -8.592 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.845 -10.314 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.378 -9.556 5.589 1.00 0.00 H new ATOM 530 N SER A 57 6.159 -10.868 2.371 1.00 0.00 N ATOM 531 CA SER A 57 7.304 -10.736 1.477 1.00 0.00 C ATOM 532 C SER A 57 6.931 -9.936 0.232 1.00 0.00 C ATOM 533 O SER A 57 5.753 -9.762 -0.077 1.00 0.00 O ATOM 534 CB SER A 57 7.823 -12.117 1.072 1.00 0.00 C ATOM 535 OG SER A 57 8.204 -12.871 2.209 1.00 0.00 O ATOM 0 H SER A 57 5.677 -11.765 2.309 1.00 0.00 H new ATOM 0 HA SER A 57 8.090 -10.202 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.051 -12.652 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.676 -12.007 0.402 1.00 0.00 H new ATOM 0 HG SER A 57 8.531 -13.750 1.924 1.00 0.00 H new ATOM 541 N ARG A 58 7.945 -9.451 -0.477 1.00 0.00 N ATOM 542 CA ARG A 58 7.726 -8.668 -1.687 1.00 0.00 C ATOM 543 C ARG A 58 7.161 -9.541 -2.805 1.00 0.00 C ATOM 544 O ARG A 58 6.298 -9.109 -3.568 1.00 0.00 O ATOM 545 CB ARG A 58 9.033 -8.018 -2.144 1.00 0.00 C ATOM 546 CG ARG A 58 9.001 -7.534 -3.584 1.00 0.00 C ATOM 547 CD ARG A 58 10.244 -6.727 -3.928 1.00 0.00 C ATOM 548 NE ARG A 58 10.502 -5.676 -2.947 1.00 0.00 N ATOM 549 CZ ARG A 58 11.602 -4.931 -2.941 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.541 -5.121 -3.857 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.764 -3.993 -2.016 1.00 0.00 N ATOM 0 H ARG A 58 8.926 -9.587 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 58 7.001 -7.887 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.257 -7.175 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.846 -8.735 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.924 -8.390 -4.255 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.113 -6.923 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.105 -7.393 -3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.125 -6.280 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 58 9.800 -5.505 -2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.420 -5.841 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.384 -4.547 -3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.044 -3.844 -1.309 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.609 -3.421 -2.012 1.00 0.00 H new ATOM 565 N ASN A 59 7.656 -10.771 -2.894 1.00 0.00 N ATOM 566 CA ASN A 59 7.202 -11.704 -3.919 1.00 0.00 C ATOM 567 C ASN A 59 5.800 -12.217 -3.605 1.00 0.00 C ATOM 568 O ASN A 59 5.189 -12.915 -4.413 1.00 0.00 O ATOM 569 CB ASN A 59 8.174 -12.880 -4.034 1.00 0.00 C ATOM 570 CG ASN A 59 7.551 -14.081 -4.719 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.055 -14.996 -4.063 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.573 -14.082 -6.047 1.00 0.00 N ATOM 0 H ASN A 59 8.371 -11.145 -2.270 1.00 0.00 H new ATOM 0 HA ASN A 59 7.171 -11.173 -4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.057 -12.565 -4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.511 -13.168 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.168 -14.863 -6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.995 -13.302 -6.551 1.00 0.00 H new ATOM 579 N GLN A 60 5.297 -11.866 -2.426 1.00 0.00 N ATOM 580 CA GLN A 60 3.968 -12.291 -2.005 1.00 0.00 C ATOM 581 C GLN A 60 2.992 -11.119 -2.019 1.00 0.00 C ATOM 582 O GLN A 60 1.774 -11.311 -2.043 1.00 0.00 O ATOM 583 CB GLN A 60 4.025 -12.906 -0.606 1.00 0.00 C ATOM 584 CG GLN A 60 2.656 -13.118 0.022 1.00 0.00 C ATOM 585 CD GLN A 60 1.781 -14.054 -0.787 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.248 -15.074 -1.297 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.504 -13.713 -0.910 1.00 0.00 N ATOM 0 H GLN A 60 5.790 -11.288 -1.745 1.00 0.00 H new ATOM 0 HA GLN A 60 3.614 -13.043 -2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.543 -13.864 -0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.617 -12.260 0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.780 -13.521 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.155 -12.156 0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.160 -12.859 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.133 -14.305 -1.444 1.00 0.00 H new ATOM 596 N LEU A 61 3.531 -9.906 -2.004 1.00 0.00 N ATOM 597 CA LEU A 61 2.708 -8.702 -2.015 1.00 0.00 C ATOM 598 C LEU A 61 2.673 -8.078 -3.406 1.00 0.00 C ATOM 599 O LEU A 61 1.627 -7.619 -3.866 1.00 0.00 O ATOM 600 CB LEU A 61 3.241 -7.686 -1.003 1.00 0.00 C ATOM 601 CG LEU A 61 2.304 -6.530 -0.653 1.00 0.00 C ATOM 602 CD1 LEU A 61 1.013 -7.055 -0.044 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.987 -5.557 0.296 1.00 0.00 C ATOM 0 H LEU A 61 4.535 -9.730 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 61 1.693 -8.985 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.490 -8.216 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.170 -7.269 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 61 2.058 -5.997 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.358 -6.218 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.514 -7.711 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.240 -7.613 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.305 -4.741 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.264 -6.077 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.882 -5.155 -0.178 1.00 0.00 H new ATOM 615 N LEU A 62 3.822 -8.069 -4.074 1.00 0.00 N ATOM 616 CA LEU A 62 3.921 -7.504 -5.415 1.00 0.00 C ATOM 617 C LEU A 62 2.933 -8.175 -6.364 1.00 0.00 C ATOM 618 O LEU A 62 2.270 -7.523 -7.170 1.00 0.00 O ATOM 619 CB LEU A 62 5.346 -7.661 -5.951 1.00 0.00 C ATOM 620 CG LEU A 62 5.504 -7.588 -7.470 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.347 -6.156 -7.955 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.852 -8.152 -7.894 1.00 0.00 C ATOM 0 H LEU A 62 4.697 -8.446 -3.709 1.00 0.00 H new ATOM 0 HA LEU A 62 3.675 -6.444 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.968 -6.886 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.737 -8.620 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 62 4.720 -8.192 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.463 -6.124 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.358 -5.787 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.108 -5.529 -7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.947 -8.092 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.651 -7.575 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.926 -9.193 -7.581 1.00 0.00 H new ATOM 634 N PRO A 63 2.829 -9.508 -6.265 1.00 0.00 N ATOM 635 CA PRO A 63 1.922 -10.296 -7.104 1.00 0.00 C ATOM 636 C PRO A 63 0.516 -9.706 -7.151 1.00 0.00 C ATOM 637 O PRO A 63 -0.069 -9.557 -8.224 1.00 0.00 O ATOM 638 CB PRO A 63 1.905 -11.665 -6.420 1.00 0.00 C ATOM 639 CG PRO A 63 3.209 -11.747 -5.704 1.00 0.00 C ATOM 640 CD PRO A 63 3.590 -10.349 -5.325 1.00 0.00 C ATOM 0 HA PRO A 63 2.252 -10.327 -8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.067 -11.751 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.802 -12.470 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.124 -12.377 -4.818 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.971 -12.195 -6.341 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.327 -10.130 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.663 -10.187 -5.423 1.00 0.00 H new ATOM 648 N VAL A 64 -0.019 -9.371 -5.981 1.00 0.00 N ATOM 649 CA VAL A 64 -1.356 -8.795 -5.890 1.00 0.00 C ATOM 650 C VAL A 64 -1.395 -7.400 -6.502 1.00 0.00 C ATOM 651 O VAL A 64 -2.439 -6.948 -6.976 1.00 0.00 O ATOM 652 CB VAL A 64 -1.834 -8.717 -4.428 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.267 -8.213 -4.361 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.704 -10.074 -3.752 1.00 0.00 C ATOM 0 H VAL A 64 0.452 -9.488 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.024 -9.452 -6.448 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.200 -8.009 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.587 -8.165 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.324 -7.219 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.918 -8.894 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.046 -10.001 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.312 -10.805 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.661 -10.389 -3.767 1.00 0.00 H new ATOM 664 N LEU A 65 -0.254 -6.721 -6.489 1.00 0.00 N ATOM 665 CA LEU A 65 -0.158 -5.375 -7.044 1.00 0.00 C ATOM 666 C LEU A 65 0.062 -5.422 -8.552 1.00 0.00 C ATOM 667 O LEU A 65 -0.112 -4.422 -9.247 1.00 0.00 O ATOM 668 CB LEU A 65 0.982 -4.607 -6.374 1.00 0.00 C ATOM 669 CG LEU A 65 0.953 -4.557 -4.846 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.324 -4.196 -4.297 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.095 -3.564 -4.366 1.00 0.00 C ATOM 0 H LEU A 65 0.618 -7.080 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.099 -4.860 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.926 -5.054 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.975 -3.584 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 65 0.685 -5.546 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.283 -4.165 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.051 -4.945 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.622 -3.219 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.102 -3.541 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.142 -2.571 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.077 -3.867 -4.729 1.00 0.00 H new ATOM 683 N GLU A 66 0.444 -6.594 -9.054 1.00 0.00 N ATOM 684 CA GLU A 66 0.687 -6.771 -10.480 1.00 0.00 C ATOM 685 C GLU A 66 -0.605 -7.121 -11.212 1.00 0.00 C ATOM 686 O GLU A 66 -0.918 -6.546 -12.255 1.00 0.00 O ATOM 687 CB GLU A 66 1.730 -7.867 -10.711 1.00 0.00 C ATOM 688 CG GLU A 66 3.152 -7.427 -10.406 1.00 0.00 C ATOM 689 CD GLU A 66 4.186 -8.207 -11.195 1.00 0.00 C ATOM 690 OE1 GLU A 66 3.977 -9.419 -11.412 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.204 -7.604 -11.596 1.00 0.00 O ATOM 0 H GLU A 66 0.591 -7.433 -8.494 1.00 0.00 H new ATOM 0 HA GLU A 66 1.066 -5.830 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.484 -8.728 -10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.675 -8.196 -11.749 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.255 -6.365 -10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.346 -7.549 -9.340 1.00 0.00 H new ATOM 698 N LYS A 67 -1.353 -8.069 -10.658 1.00 0.00 N ATOM 699 CA LYS A 67 -2.612 -8.498 -11.255 1.00 0.00 C ATOM 700 C LYS A 67 -3.529 -7.305 -11.506 1.00 0.00 C ATOM 701 O LYS A 67 -4.236 -7.255 -12.514 1.00 0.00 O ATOM 702 CB LYS A 67 -3.313 -9.511 -10.348 1.00 0.00 C ATOM 703 CG LYS A 67 -3.309 -9.118 -8.880 1.00 0.00 C ATOM 704 CD LYS A 67 -4.533 -9.654 -8.156 1.00 0.00 C ATOM 705 CE LYS A 67 -4.324 -11.088 -7.694 1.00 0.00 C ATOM 706 NZ LYS A 67 -4.425 -12.055 -8.823 1.00 0.00 N ATOM 0 H LYS A 67 -1.109 -8.555 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.389 -8.971 -12.211 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.344 -9.631 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.828 -10.481 -10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.407 -9.500 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.280 -8.032 -8.793 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.754 -9.022 -7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.398 -9.606 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.345 -11.179 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.066 -11.337 -6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.749 -12.976 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.104 -11.699 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.492 -12.166 -9.269 1.00 0.00 H new ATOM 720 N CYS A 68 -3.513 -6.348 -10.586 1.00 0.00 N ATOM 721 CA CYS A 68 -4.343 -5.155 -10.708 1.00 0.00 C ATOM 722 C CYS A 68 -3.787 -4.213 -11.771 1.00 0.00 C ATOM 723 O CYS A 68 -4.476 -3.869 -12.731 1.00 0.00 O ATOM 724 CB CYS A 68 -4.431 -4.430 -9.363 1.00 0.00 C ATOM 725 SG CYS A 68 -5.694 -5.091 -8.252 1.00 0.00 S ATOM 0 H CYS A 68 -2.934 -6.375 -9.747 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.343 -5.467 -11.011 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.461 -4.485 -8.868 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.637 -3.375 -9.544 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.753 -4.339 -8.302 1.00 0.00 H new ATOM 731 N GLY A 69 -2.537 -3.797 -11.592 1.00 0.00 N ATOM 732 CA GLY A 69 -1.911 -2.897 -12.542 1.00 0.00 C ATOM 733 C GLY A 69 -0.421 -3.141 -12.678 1.00 0.00 C ATOM 734 O GLY A 69 0.099 -4.142 -12.183 1.00 0.00 O ATOM 0 H GLY A 69 -1.947 -4.068 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.386 -3.015 -13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.080 -1.867 -12.228 1.00 0.00 H new ATOM 738 N LEU A 70 0.268 -2.226 -13.350 1.00 0.00 N ATOM 739 CA LEU A 70 1.708 -2.347 -13.551 1.00 0.00 C ATOM 740 C LEU A 70 2.474 -1.691 -12.406 1.00 0.00 C ATOM 741 O LEU A 70 2.305 -0.503 -12.133 1.00 0.00 O ATOM 742 CB LEU A 70 2.112 -1.710 -14.882 1.00 0.00 C ATOM 743 CG LEU A 70 1.667 -2.451 -16.143 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.753 -1.537 -17.356 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.510 -3.700 -16.353 1.00 0.00 C ATOM 0 H LEU A 70 -0.147 -1.392 -13.765 1.00 0.00 H new ATOM 0 HA LEU A 70 1.960 -3.407 -13.572 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.706 -0.699 -14.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.198 -1.618 -14.903 1.00 0.00 H new ATOM 0 HG LEU A 70 0.628 -2.756 -16.016 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.433 -2.081 -18.245 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.106 -0.672 -17.207 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.782 -1.202 -17.487 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.179 -4.215 -17.255 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.558 -3.418 -16.459 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.398 -4.363 -15.495 1.00 0.00 H new ATOM 757 N VAL A 71 3.319 -2.474 -11.742 1.00 0.00 N ATOM 758 CA VAL A 71 4.115 -1.969 -10.629 1.00 0.00 C ATOM 759 C VAL A 71 5.460 -1.440 -11.110 1.00 0.00 C ATOM 760 O VAL A 71 6.365 -2.212 -11.426 1.00 0.00 O ATOM 761 CB VAL A 71 4.353 -3.061 -9.570 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.340 -2.578 -8.518 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.038 -3.477 -8.928 1.00 0.00 C ATOM 0 H VAL A 71 3.470 -3.460 -11.955 1.00 0.00 H new ATOM 0 HA VAL A 71 3.549 -1.154 -10.179 1.00 0.00 H new ATOM 0 HB VAL A 71 4.782 -3.933 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.496 -3.363 -7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.290 -2.335 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.943 -1.690 -8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.226 -4.249 -8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.578 -2.613 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.367 -3.867 -9.693 1.00 0.00 H new ATOM 773 N ASP A 72 5.585 -0.119 -11.166 1.00 0.00 N ATOM 774 CA ASP A 72 6.822 0.514 -11.607 1.00 0.00 C ATOM 775 C ASP A 72 7.873 0.484 -10.502 1.00 0.00 C ATOM 776 O ASP A 72 9.067 0.354 -10.771 1.00 0.00 O ATOM 777 CB ASP A 72 6.557 1.958 -12.036 1.00 0.00 C ATOM 778 CG ASP A 72 6.498 2.911 -10.858 1.00 0.00 C ATOM 779 OD1 ASP A 72 7.573 3.352 -10.398 1.00 0.00 O ATOM 780 OD2 ASP A 72 5.379 3.215 -10.396 1.00 0.00 O ATOM 0 H ASP A 72 4.844 0.535 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 72 7.203 -0.047 -12.461 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.341 2.280 -12.721 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.616 2.004 -12.584 1.00 0.00 H new ATOM 785 N ALA A 73 7.421 0.607 -9.259 1.00 0.00 N ATOM 786 CA ALA A 73 8.322 0.593 -8.113 1.00 0.00 C ATOM 787 C ALA A 73 7.569 0.265 -6.827 1.00 0.00 C ATOM 788 O ALA A 73 6.549 0.880 -6.520 1.00 0.00 O ATOM 789 CB ALA A 73 9.033 1.932 -7.984 1.00 0.00 C ATOM 0 H ALA A 73 6.436 0.718 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 73 9.066 -0.186 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.702 1.907 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.610 2.126 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.296 2.724 -7.847 1.00 0.00 H new ATOM 795 N LEU A 74 8.081 -0.708 -6.081 1.00 0.00 N ATOM 796 CA LEU A 74 7.457 -1.118 -4.827 1.00 0.00 C ATOM 797 C LEU A 74 8.426 -0.961 -3.660 1.00 0.00 C ATOM 798 O LEU A 74 9.350 -1.758 -3.495 1.00 0.00 O ATOM 799 CB LEU A 74 6.984 -2.570 -4.921 1.00 0.00 C ATOM 800 CG LEU A 74 6.693 -3.269 -3.594 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.418 -2.720 -2.971 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.586 -4.774 -3.793 1.00 0.00 C ATOM 0 H LEU A 74 8.925 -1.227 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 74 6.596 -0.473 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.080 -2.598 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.743 -3.144 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 74 7.521 -3.072 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.226 -3.229 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.532 -1.651 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.581 -2.886 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.379 -5.254 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.778 -4.992 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.525 -5.156 -4.194 1.00 0.00 H new ATOM 814 N LEU A 75 8.207 0.069 -2.851 1.00 0.00 N ATOM 815 CA LEU A 75 9.059 0.331 -1.696 1.00 0.00 C ATOM 816 C LEU A 75 8.540 -0.398 -0.461 1.00 0.00 C ATOM 817 O LEU A 75 7.376 -0.254 -0.087 1.00 0.00 O ATOM 818 CB LEU A 75 9.134 1.834 -1.422 1.00 0.00 C ATOM 819 CG LEU A 75 9.886 2.249 -0.157 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.388 2.174 -0.379 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.477 3.651 0.270 1.00 0.00 C ATOM 0 H LEU A 75 7.446 0.737 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 75 10.059 -0.040 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.608 2.316 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.118 2.223 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 75 9.624 1.556 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.906 2.473 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.667 1.152 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.669 2.843 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.022 3.930 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.710 4.357 -0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.406 3.672 0.472 1.00 0.00 H new ATOM 833 N MET A 76 9.412 -1.177 0.170 1.00 0.00 N ATOM 834 CA MET A 76 9.042 -1.925 1.366 1.00 0.00 C ATOM 835 C MET A 76 10.021 -1.651 2.503 1.00 0.00 C ATOM 836 O MET A 76 11.101 -2.238 2.580 1.00 0.00 O ATOM 837 CB MET A 76 9.000 -3.424 1.063 1.00 0.00 C ATOM 838 CG MET A 76 7.799 -3.842 0.231 1.00 0.00 C ATOM 839 SD MET A 76 7.598 -5.633 0.154 1.00 0.00 S ATOM 840 CE MET A 76 6.727 -5.943 1.688 1.00 0.00 C ATOM 0 H MET A 76 10.379 -1.307 -0.127 1.00 0.00 H new ATOM 0 HA MET A 76 8.050 -1.597 1.677 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.912 -3.706 0.537 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.991 -3.976 2.003 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.897 -3.397 0.652 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.907 -3.448 -0.780 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.325 -6.599 2.320 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.554 -4.999 2.206 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.770 -6.419 1.473 1.00 0.00 H new ATOM 850 N PRO A 77 9.638 -0.737 3.408 1.00 0.00 N ATOM 851 CA PRO A 77 10.468 -0.365 4.557 1.00 0.00 C ATOM 852 C PRO A 77 10.569 -1.486 5.586 1.00 0.00 C ATOM 853 O PRO A 77 9.579 -2.123 5.946 1.00 0.00 O ATOM 854 CB PRO A 77 9.734 0.840 5.150 1.00 0.00 C ATOM 855 CG PRO A 77 8.315 0.664 4.728 1.00 0.00 C ATOM 856 CD PRO A 77 8.365 0.001 3.379 1.00 0.00 C ATOM 0 HA PRO A 77 11.497 -0.153 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.824 0.863 6.236 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.145 1.778 4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.768 0.051 5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.802 1.624 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.517 -0.667 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.343 0.732 2.571 1.00 0.00 H new ATOM 864 N PRO A 78 11.794 -1.735 6.074 1.00 0.00 N ATOM 865 CA PRO A 78 12.053 -2.779 7.069 1.00 0.00 C ATOM 866 C PRO A 78 11.473 -2.433 8.437 1.00 0.00 C ATOM 867 O PRO A 78 11.482 -1.275 8.850 1.00 0.00 O ATOM 868 CB PRO A 78 13.581 -2.835 7.136 1.00 0.00 C ATOM 869 CG PRO A 78 14.028 -1.481 6.704 1.00 0.00 C ATOM 870 CD PRO A 78 13.020 -1.016 5.690 1.00 0.00 C ATOM 0 HA PRO A 78 11.590 -3.727 6.795 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.925 -3.063 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.978 -3.611 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.074 -0.796 7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.028 -1.520 6.271 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.881 0.064 5.728 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.329 -1.262 4.674 1.00 0.00 H new ATOM 878 N ASN A 79 10.969 -3.447 9.133 1.00 0.00 N ATOM 879 CA ASN A 79 10.384 -3.249 10.455 1.00 0.00 C ATOM 880 C ASN A 79 9.192 -2.298 10.386 1.00 0.00 C ATOM 881 O ASN A 79 8.925 -1.550 11.326 1.00 0.00 O ATOM 882 CB ASN A 79 11.433 -2.699 11.423 1.00 0.00 C ATOM 883 CG ASN A 79 11.069 -2.948 12.874 1.00 0.00 C ATOM 884 OD1 ASN A 79 10.079 -3.618 13.171 1.00 0.00 O ATOM 885 ND2 ASN A 79 11.868 -2.410 13.786 1.00 0.00 N ATOM 0 H ASN A 79 10.954 -4.413 8.805 1.00 0.00 H new ATOM 0 HA ASN A 79 10.035 -4.216 10.818 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.397 -3.160 11.209 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.548 -1.628 11.259 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.673 -2.544 14.778 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.678 -1.862 13.495 1.00 0.00 H new ATOM 892 N LYS A 80 8.479 -2.333 9.266 1.00 0.00 N ATOM 893 CA LYS A 80 7.314 -1.477 9.073 1.00 0.00 C ATOM 894 C LYS A 80 6.128 -2.282 8.553 1.00 0.00 C ATOM 895 O LYS A 80 6.193 -2.924 7.506 1.00 0.00 O ATOM 896 CB LYS A 80 7.643 -0.346 8.096 1.00 0.00 C ATOM 897 CG LYS A 80 8.530 0.734 8.691 1.00 0.00 C ATOM 898 CD LYS A 80 7.779 1.568 9.716 1.00 0.00 C ATOM 899 CE LYS A 80 8.727 2.179 10.737 1.00 0.00 C ATOM 900 NZ LYS A 80 9.023 1.238 11.853 1.00 0.00 N ATOM 0 H LYS A 80 8.687 -2.945 8.477 1.00 0.00 H new ATOM 0 HA LYS A 80 7.045 -1.049 10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.136 -0.767 7.219 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.713 0.108 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.400 0.274 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.902 1.380 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.228 2.360 9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.045 0.945 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.657 2.462 10.245 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.288 3.092 11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.990 1.403 12.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.347 1.394 12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.939 0.259 11.513 1.00 0.00 H new ATOM 914 N PRO A 81 5.014 -2.248 9.303 1.00 0.00 N ATOM 915 CA PRO A 81 3.791 -2.967 8.936 1.00 0.00 C ATOM 916 C PRO A 81 3.106 -2.362 7.716 1.00 0.00 C ATOM 917 O PRO A 81 2.075 -2.858 7.261 1.00 0.00 O ATOM 918 CB PRO A 81 2.906 -2.815 10.176 1.00 0.00 C ATOM 919 CG PRO A 81 3.388 -1.570 10.836 1.00 0.00 C ATOM 920 CD PRO A 81 4.866 -1.503 10.564 1.00 0.00 C ATOM 0 HA PRO A 81 3.993 -4.003 8.663 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.853 -2.737 9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.001 -3.676 10.838 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.878 -0.694 10.437 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.189 -1.594 11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.210 -0.474 10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.444 -1.957 11.369 1.00 0.00 H new ATOM 928 N TYR A 82 3.686 -1.289 7.190 1.00 0.00 N ATOM 929 CA TYR A 82 3.130 -0.615 6.022 1.00 0.00 C ATOM 930 C TYR A 82 4.182 -0.461 4.929 1.00 0.00 C ATOM 931 O TYR A 82 5.372 -0.319 5.212 1.00 0.00 O ATOM 932 CB TYR A 82 2.580 0.758 6.414 1.00 0.00 C ATOM 933 CG TYR A 82 3.637 1.708 6.932 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.511 2.347 6.061 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.761 1.964 8.292 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.478 3.215 6.531 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.725 2.831 8.770 1.00 0.00 C ATOM 938 CZ TYR A 82 5.581 3.454 7.885 1.00 0.00 C ATOM 939 OH TYR A 82 6.543 4.318 8.358 1.00 0.00 O ATOM 0 H TYR A 82 4.541 -0.867 7.553 1.00 0.00 H new ATOM 0 HA TYR A 82 2.317 -1.228 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.094 1.206 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.814 0.629 7.178 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.433 2.162 5.000 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.093 1.477 8.987 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.150 3.704 5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.808 3.020 9.830 1.00 0.00 H new ATOM 0 HH TYR A 82 7.413 4.079 7.976 1.00 0.00 H new ATOM 949 N SER A 83 3.735 -0.490 3.678 1.00 0.00 N ATOM 950 CA SER A 83 4.637 -0.358 2.540 1.00 0.00 C ATOM 951 C SER A 83 4.122 0.691 1.558 1.00 0.00 C ATOM 952 O SER A 83 3.075 1.300 1.774 1.00 0.00 O ATOM 953 CB SER A 83 4.797 -1.702 1.829 1.00 0.00 C ATOM 954 OG SER A 83 5.448 -2.645 2.664 1.00 0.00 O ATOM 0 H SER A 83 2.753 -0.604 3.427 1.00 0.00 H new ATOM 0 HA SER A 83 5.609 -0.036 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.818 -2.083 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.370 -1.566 0.912 1.00 0.00 H new ATOM 0 HG SER A 83 5.936 -2.174 3.372 1.00 0.00 H new ATOM 960 N PHE A 84 4.868 0.896 0.477 1.00 0.00 N ATOM 961 CA PHE A 84 4.489 1.871 -0.539 1.00 0.00 C ATOM 962 C PHE A 84 4.627 1.280 -1.938 1.00 0.00 C ATOM 963 O PHE A 84 5.663 0.713 -2.285 1.00 0.00 O ATOM 964 CB PHE A 84 5.353 3.128 -0.417 1.00 0.00 C ATOM 965 CG PHE A 84 5.309 3.757 0.946 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.291 4.632 1.286 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.284 3.472 1.888 1.00 0.00 C ATOM 968 CE1 PHE A 84 4.245 5.212 2.540 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.245 4.049 3.143 1.00 0.00 C ATOM 970 CZ PHE A 84 5.225 4.921 3.470 1.00 0.00 C ATOM 0 H PHE A 84 5.738 0.400 0.282 1.00 0.00 H new ATOM 0 HA PHE A 84 3.445 2.139 -0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.385 2.874 -0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.024 3.858 -1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.523 4.864 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.084 2.791 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.444 5.892 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.012 3.818 3.868 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.193 5.374 4.450 1.00 0.00 H new ATOM 980 N ALA A 85 3.574 1.416 -2.738 1.00 0.00 N ATOM 981 CA ALA A 85 3.577 0.897 -4.100 1.00 0.00 C ATOM 982 C ALA A 85 3.484 2.027 -5.119 1.00 0.00 C ATOM 983 O ALA A 85 2.829 3.042 -4.876 1.00 0.00 O ATOM 984 CB ALA A 85 2.431 -0.086 -4.293 1.00 0.00 C ATOM 0 H ALA A 85 2.708 1.881 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 85 4.520 0.375 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.445 -0.466 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.543 -0.916 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.483 0.419 -4.107 1.00 0.00 H new ATOM 990 N ARG A 86 4.141 1.846 -6.259 1.00 0.00 N ATOM 991 CA ARG A 86 4.133 2.852 -7.315 1.00 0.00 C ATOM 992 C ARG A 86 3.690 2.245 -8.642 1.00 0.00 C ATOM 993 O ARG A 86 4.374 1.389 -9.204 1.00 0.00 O ATOM 994 CB ARG A 86 5.523 3.476 -7.465 1.00 0.00 C ATOM 995 CG ARG A 86 5.496 4.918 -7.941 1.00 0.00 C ATOM 996 CD ARG A 86 6.707 5.692 -7.445 1.00 0.00 C ATOM 997 NE ARG A 86 7.847 5.559 -8.346 1.00 0.00 N ATOM 998 CZ ARG A 86 9.106 5.775 -7.976 1.00 0.00 C ATOM 999 NH1 ARG A 86 9.381 6.131 -6.729 1.00 0.00 N ATOM 1000 NH2 ARG A 86 10.090 5.634 -8.854 1.00 0.00 N ATOM 0 H ARG A 86 4.686 1.012 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 86 3.421 3.629 -7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.038 3.429 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.105 2.881 -8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.469 4.942 -9.030 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.585 5.401 -7.589 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.447 6.746 -7.342 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.985 5.334 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 86 7.669 5.285 -9.312 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.626 6.240 -6.051 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.347 6.296 -6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.881 5.360 -9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.055 5.800 -8.569 1.00 0.00 H new ATOM 1014 N TYR A 87 2.542 2.694 -9.137 1.00 0.00 N ATOM 1015 CA TYR A 87 2.005 2.192 -10.397 1.00 0.00 C ATOM 1016 C TYR A 87 2.476 3.049 -11.569 1.00 0.00 C ATOM 1017 O TYR A 87 3.029 4.131 -11.378 1.00 0.00 O ATOM 1018 CB TYR A 87 0.476 2.168 -10.351 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.086 1.072 -9.473 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.214 1.251 -8.102 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.487 -0.142 -10.017 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.726 0.252 -7.296 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.002 -1.145 -9.219 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.119 -0.944 -7.860 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.630 -1.941 -7.061 1.00 0.00 O ATOM 0 H TYR A 87 1.965 3.404 -8.686 1.00 0.00 H new ATOM 0 HA TYR A 87 2.373 1.176 -10.541 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.116 3.132 -9.990 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.092 2.044 -11.364 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.092 2.187 -7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.395 -0.304 -11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.818 0.407 -6.231 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.312 -2.082 -9.658 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.859 -2.717 -7.613 1.00 0.00 H new ATOM 1035 N ARG A 88 2.252 2.554 -12.781 1.00 0.00 N ATOM 1036 CA ARG A 88 2.653 3.273 -13.985 1.00 0.00 C ATOM 1037 C ARG A 88 1.652 4.375 -14.319 1.00 0.00 C ATOM 1038 O ARG A 88 2.026 5.443 -14.807 1.00 0.00 O ATOM 1039 CB ARG A 88 2.776 2.306 -15.164 1.00 0.00 C ATOM 1040 CG ARG A 88 3.003 2.998 -16.499 1.00 0.00 C ATOM 1041 CD ARG A 88 4.485 3.181 -16.785 1.00 0.00 C ATOM 1042 NE ARG A 88 4.717 3.791 -18.092 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.755 3.101 -19.228 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.577 1.789 -19.217 1.00 0.00 N ATOM 1045 NH2 ARG A 88 4.973 3.727 -20.378 1.00 0.00 N ATOM 0 H ARG A 88 1.795 1.659 -12.956 1.00 0.00 H new ATOM 0 HA ARG A 88 3.623 3.733 -13.798 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.601 1.620 -14.975 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.869 1.705 -15.226 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.547 2.412 -17.297 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.509 3.970 -16.495 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.930 3.804 -16.009 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.985 2.213 -16.742 1.00 0.00 H new ATOM 0 HE ARG A 88 4.857 4.800 -18.135 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.410 1.304 -18.335 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.607 1.263 -20.090 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.111 4.737 -20.390 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.002 3.198 -21.249 1.00 0.00 H new ATOM 1059 N THR A 89 0.376 4.109 -14.055 1.00 0.00 N ATOM 1060 CA THR A 89 -0.679 5.076 -14.330 1.00 0.00 C ATOM 1061 C THR A 89 -1.682 5.136 -13.183 1.00 0.00 C ATOM 1062 O THR A 89 -1.934 4.134 -12.512 1.00 0.00 O ATOM 1063 CB THR A 89 -1.425 4.739 -15.634 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.223 3.563 -15.451 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.446 4.521 -16.777 1.00 0.00 C ATOM 0 H THR A 89 0.049 3.231 -13.651 1.00 0.00 H new ATOM 0 HA THR A 89 -0.197 6.048 -14.438 1.00 0.00 H new ATOM 0 HB THR A 89 -2.070 5.581 -15.886 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.696 3.356 -16.284 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.997 4.284 -17.687 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.140 5.427 -16.932 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.222 3.695 -16.532 1.00 0.00 H new ATOM 1073 N THR A 90 -2.254 6.315 -12.964 1.00 0.00 N ATOM 1074 CA THR A 90 -3.230 6.505 -11.899 1.00 0.00 C ATOM 1075 C THR A 90 -4.354 5.479 -11.994 1.00 0.00 C ATOM 1076 O THR A 90 -4.599 4.726 -11.051 1.00 0.00 O ATOM 1077 CB THR A 90 -3.837 7.920 -11.938 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.806 8.890 -12.150 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.573 8.230 -10.644 1.00 0.00 C ATOM 0 H THR A 90 -2.058 7.154 -13.511 1.00 0.00 H new ATOM 0 HA THR A 90 -2.699 6.372 -10.957 1.00 0.00 H new ATOM 0 HB THR A 90 -4.550 7.962 -12.761 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.201 9.787 -12.175 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.993 9.235 -10.696 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.377 7.508 -10.501 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.878 8.170 -9.807 1.00 0.00 H new ATOM 1087 N GLU A 91 -5.032 5.456 -13.137 1.00 0.00 N ATOM 1088 CA GLU A 91 -6.131 4.521 -13.352 1.00 0.00 C ATOM 1089 C GLU A 91 -5.865 3.196 -12.643 1.00 0.00 C ATOM 1090 O GLU A 91 -6.694 2.719 -11.869 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.337 4.279 -14.849 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.407 5.557 -15.668 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.798 5.304 -17.112 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -5.959 4.774 -17.870 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.944 5.635 -17.481 1.00 0.00 O ATOM 0 H GLU A 91 -4.841 6.072 -13.927 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.036 4.961 -12.934 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.521 3.661 -15.224 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.258 3.714 -14.994 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.128 6.236 -15.214 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.438 6.056 -15.640 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.704 2.609 -12.915 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.330 1.338 -12.304 1.00 0.00 C ATOM 1104 C GLU A 92 -4.337 1.444 -10.781 1.00 0.00 C ATOM 1105 O GLU A 92 -5.018 0.679 -10.099 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.946 0.901 -12.790 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.912 0.514 -14.258 1.00 0.00 C ATOM 1108 CD GLU A 92 -4.191 -0.160 -14.715 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.491 -1.264 -14.215 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -4.892 0.418 -15.572 1.00 0.00 O ATOM 0 H GLU A 92 -4.007 2.992 -13.553 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.065 0.590 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.238 1.712 -12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.611 0.054 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.741 1.406 -14.861 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.070 -0.156 -14.434 1.00 0.00 H new ATOM 1117 N SER A 93 -3.573 2.397 -10.257 1.00 0.00 N ATOM 1118 CA SER A 93 -3.487 2.600 -8.815 1.00 0.00 C ATOM 1119 C SER A 93 -4.869 2.530 -8.173 1.00 0.00 C ATOM 1120 O SER A 93 -5.087 1.780 -7.221 1.00 0.00 O ATOM 1121 CB SER A 93 -2.838 3.951 -8.508 1.00 0.00 C ATOM 1122 OG SER A 93 -3.269 4.451 -7.254 1.00 0.00 O ATOM 0 H SER A 93 -3.005 3.040 -10.808 1.00 0.00 H new ATOM 0 HA SER A 93 -2.871 1.804 -8.397 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.753 3.845 -8.507 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.088 4.665 -9.293 1.00 0.00 H new ATOM 0 HG SER A 93 -2.718 5.221 -7.002 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.801 3.316 -8.701 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.163 3.344 -8.183 1.00 0.00 C ATOM 1130 C LYS A 94 -7.778 1.948 -8.193 1.00 0.00 C ATOM 1131 O LYS A 94 -8.342 1.500 -7.194 1.00 0.00 O ATOM 1132 CB LYS A 94 -8.026 4.299 -9.010 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.733 5.766 -8.748 1.00 0.00 C ATOM 1134 CD LYS A 94 -8.002 6.617 -9.978 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.481 6.933 -10.124 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.708 8.170 -10.923 1.00 0.00 N ATOM 0 H LYS A 94 -5.637 3.943 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.126 3.698 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.872 4.090 -10.069 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.077 4.103 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.347 6.118 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.692 5.882 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.435 7.546 -9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.651 6.094 -10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.986 6.094 -10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.926 7.052 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.729 8.351 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.248 8.976 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.306 8.048 -11.874 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.664 1.265 -9.327 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.209 -0.080 -9.467 1.00 0.00 C ATOM 1152 C ARG A 95 -7.756 -0.972 -8.314 1.00 0.00 C ATOM 1153 O ARG A 95 -8.544 -1.741 -7.765 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.776 -0.692 -10.801 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.005 -2.193 -10.884 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.216 -2.814 -12.026 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.978 -2.835 -13.271 1.00 0.00 N ATOM 1158 CZ ARG A 95 -9.095 -3.534 -13.436 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.578 -4.265 -12.441 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -9.734 -3.503 -14.599 1.00 0.00 N ATOM 0 H ARG A 95 -7.199 1.621 -10.162 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.296 -0.010 -9.444 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.321 -0.204 -11.609 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.718 -0.485 -10.960 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.713 -2.659 -9.943 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.067 -2.393 -11.023 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.293 -2.254 -12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.931 -3.832 -11.758 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.634 -2.283 -14.057 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.091 -4.292 -11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.436 -4.801 -12.572 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.367 -2.942 -15.368 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.592 -4.041 -14.724 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.481 -0.864 -7.955 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.924 -1.658 -6.868 1.00 0.00 C ATOM 1176 C ALA A 96 -6.328 -1.092 -5.511 1.00 0.00 C ATOM 1177 O ALA A 96 -6.475 -1.833 -4.537 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.409 -1.724 -6.985 1.00 0.00 C ATOM 0 H ALA A 96 -5.815 -0.234 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.327 -2.668 -6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.006 -2.320 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.137 -2.183 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.996 -0.716 -6.937 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.505 0.222 -5.453 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.889 0.889 -4.213 1.00 0.00 C ATOM 1186 C TYR A 97 -8.316 0.520 -3.817 1.00 0.00 C ATOM 1187 O TYR A 97 -8.620 0.352 -2.635 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.765 2.405 -4.366 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.542 3.183 -3.326 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -6.977 3.492 -2.095 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.840 3.610 -3.577 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.682 4.201 -1.143 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.553 4.322 -2.631 1.00 0.00 C ATOM 1194 CZ TYR A 97 -8.970 4.615 -1.417 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.676 5.323 -0.471 1.00 0.00 O ATOM 0 H TYR A 97 -6.389 0.848 -6.250 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.214 0.555 -3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.713 2.683 -4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.114 2.692 -5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.968 3.172 -1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.300 3.382 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.229 4.430 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.561 4.647 -2.842 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.565 5.540 -0.821 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.187 0.396 -4.813 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.581 0.046 -4.570 1.00 0.00 C ATOM 1207 C VAL A 98 -10.780 -1.466 -4.589 1.00 0.00 C ATOM 1208 O VAL A 98 -11.751 -1.983 -4.035 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.511 0.688 -5.617 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.965 0.563 -5.186 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.136 2.145 -5.839 1.00 0.00 C ATOM 0 H VAL A 98 -8.952 0.533 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.836 0.431 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.389 0.157 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.608 1.022 -5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.224 -0.491 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.106 1.068 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.803 2.583 -6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.229 2.692 -4.901 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.107 2.206 -6.194 1.00 0.00 H new ATOM 1221 N THR A 99 -9.853 -2.170 -5.231 1.00 0.00 N ATOM 1222 CA THR A 99 -9.926 -3.623 -5.323 1.00 0.00 C ATOM 1223 C THR A 99 -9.161 -4.286 -4.182 1.00 0.00 C ATOM 1224 O THR A 99 -9.748 -4.974 -3.346 1.00 0.00 O ATOM 1225 CB THR A 99 -9.364 -4.130 -6.664 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.149 -3.621 -7.748 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.355 -5.650 -6.708 1.00 0.00 C ATOM 0 H THR A 99 -9.043 -1.758 -5.695 1.00 0.00 H new ATOM 0 HA THR A 99 -10.980 -3.891 -5.254 1.00 0.00 H new ATOM 0 HB THR A 99 -8.338 -3.774 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.848 -2.716 -7.973 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.954 -5.984 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.732 -6.034 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.372 -6.023 -6.591 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.851 -4.073 -4.152 1.00 0.00 N ATOM 1236 CA LEU A 100 -7.005 -4.650 -3.113 1.00 0.00 C ATOM 1237 C LEU A 100 -7.503 -4.256 -1.726 1.00 0.00 C ATOM 1238 O LEU A 100 -7.747 -5.113 -0.876 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.556 -4.195 -3.295 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.970 -4.369 -4.697 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.487 -4.034 -4.700 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.199 -5.787 -5.199 1.00 0.00 C ATOM 0 H LEU A 100 -7.351 -3.505 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.052 -5.735 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.490 -3.141 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.932 -4.745 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.479 -3.680 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.087 -4.163 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.347 -3.000 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.963 -4.698 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.775 -5.892 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.717 -6.494 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.269 -5.992 -5.235 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.653 -2.955 -1.505 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.124 -2.447 -0.221 1.00 0.00 C ATOM 1256 C ASN A 101 -9.264 -3.305 0.319 1.00 0.00 C ATOM 1257 O ASN A 101 -10.370 -3.298 -0.221 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.587 -0.995 -0.362 1.00 0.00 C ATOM 1259 CG ASN A 101 -9.026 -0.397 0.961 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.646 -1.070 1.785 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.705 0.874 1.171 1.00 0.00 N ATOM 0 H ASN A 101 -7.456 -2.233 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.294 -2.490 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.776 -0.397 -0.777 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.413 -0.947 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.973 1.330 2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.190 1.394 0.460 1.00 0.00 H new ATOM 1268 N GLY A 102 -8.986 -4.045 1.388 1.00 0.00 N ATOM 1269 CA GLY A 102 -9.998 -4.898 1.984 1.00 0.00 C ATOM 1270 C GLY A 102 -9.965 -6.309 1.430 1.00 0.00 C ATOM 1271 O GLY A 102 -10.948 -7.045 1.525 1.00 0.00 O ATOM 0 H GLY A 102 -8.078 -4.069 1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.851 -4.931 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.983 -4.465 1.809 1.00 0.00 H new ATOM 1275 N LYS A 103 -8.833 -6.688 0.848 1.00 0.00 N ATOM 1276 CA LYS A 103 -8.675 -8.021 0.276 1.00 0.00 C ATOM 1277 C LYS A 103 -8.031 -8.971 1.279 1.00 0.00 C ATOM 1278 O LYS A 103 -7.246 -8.550 2.129 1.00 0.00 O ATOM 1279 CB LYS A 103 -7.827 -7.954 -0.997 1.00 0.00 C ATOM 1280 CG LYS A 103 -7.521 -9.316 -1.595 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.118 -9.205 -3.056 1.00 0.00 C ATOM 1282 CE LYS A 103 -6.381 -10.450 -3.527 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.245 -11.662 -3.464 1.00 0.00 N ATOM 0 H LYS A 103 -8.011 -6.091 0.760 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.665 -8.402 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.348 -7.349 -1.739 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.889 -7.446 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.719 -9.791 -1.030 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.397 -9.959 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.006 -9.053 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.482 -8.330 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.036 -10.303 -4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.495 -10.603 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.713 -12.486 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.540 -11.827 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.086 -11.520 -4.059 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.366 -10.252 1.174 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.818 -11.261 2.072 1.00 0.00 C ATOM 1299 C GLU A 104 -6.655 -12.001 1.418 1.00 0.00 C ATOM 1300 O GLU A 104 -6.813 -12.623 0.367 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.906 -12.258 2.479 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.686 -11.838 3.713 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.501 -12.973 4.303 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.532 -13.340 3.702 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.106 -13.495 5.367 1.00 0.00 O ATOM 0 H GLU A 104 -9.014 -10.616 0.476 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.447 -10.753 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.599 -12.386 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.447 -13.229 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.993 -11.464 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.351 -11.014 3.455 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.486 -11.926 2.044 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.295 -12.587 1.524 1.00 0.00 C ATOM 1314 C VAL A 105 -3.609 -13.415 2.605 1.00 0.00 C ATOM 1315 O VAL A 105 -3.357 -12.930 3.707 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.289 -11.567 0.958 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.882 -10.840 -0.240 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.867 -10.581 2.036 1.00 0.00 C ATOM 0 H VAL A 105 -5.338 -11.413 2.913 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.624 -13.246 0.720 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.402 -12.105 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.157 -10.124 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.129 -11.562 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.786 -10.313 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.156 -9.868 1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.743 -10.047 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.399 -11.120 2.859 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.309 -14.669 2.281 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.650 -15.565 3.223 1.00 0.00 C ATOM 1330 C VAL A 106 -1.210 -15.134 3.478 1.00 0.00 C ATOM 1331 O VAL A 106 -0.373 -15.168 2.576 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.657 -17.019 2.714 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.622 -17.851 3.457 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.044 -17.627 2.856 1.00 0.00 C ATOM 0 H VAL A 106 -3.512 -15.087 1.373 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.212 -15.512 4.155 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.394 -17.016 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.642 -18.875 3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.631 -17.426 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.851 -17.849 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.030 -18.654 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.339 -17.618 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.758 -17.045 2.273 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.930 -14.728 4.711 1.00 0.00 N ATOM 1345 CA ASP A 107 0.410 -14.291 5.085 1.00 0.00 C ATOM 1346 C ASP A 107 1.333 -15.487 5.296 1.00 0.00 C ATOM 1347 O ASP A 107 0.944 -16.632 5.065 1.00 0.00 O ATOM 1348 CB ASP A 107 0.356 -13.441 6.356 1.00 0.00 C ATOM 1349 CG ASP A 107 0.324 -14.285 7.616 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.429 -15.281 7.643 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.051 -13.949 8.574 1.00 0.00 O ATOM 0 H ASP A 107 -1.612 -14.692 5.468 1.00 0.00 H new ATOM 0 HA ASP A 107 0.809 -13.687 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.223 -12.782 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.528 -12.804 6.326 1.00 0.00 H new ATOM 1356 N ASP A 108 2.556 -15.214 5.737 1.00 0.00 N ATOM 1357 CA ASP A 108 3.534 -16.267 5.980 1.00 0.00 C ATOM 1358 C ASP A 108 3.006 -17.276 6.995 1.00 0.00 C ATOM 1359 O ASP A 108 3.171 -18.486 6.827 1.00 0.00 O ATOM 1360 CB ASP A 108 4.850 -15.666 6.478 1.00 0.00 C ATOM 1361 CG ASP A 108 4.778 -15.238 7.930 1.00 0.00 C ATOM 1362 OD1 ASP A 108 4.006 -14.306 8.236 1.00 0.00 O ATOM 1363 OD2 ASP A 108 5.494 -15.835 8.761 1.00 0.00 O ATOM 0 H ASP A 108 2.894 -14.272 5.933 1.00 0.00 H new ATOM 0 HA ASP A 108 3.713 -16.786 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.649 -16.398 6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.110 -14.806 5.861 1.00 0.00 H new ATOM 1368 N LEU A 109 2.372 -16.772 8.048 1.00 0.00 N ATOM 1369 CA LEU A 109 1.819 -17.630 9.091 1.00 0.00 C ATOM 1370 C LEU A 109 0.751 -18.560 8.522 1.00 0.00 C ATOM 1371 O LEU A 109 0.557 -19.671 9.013 1.00 0.00 O ATOM 1372 CB LEU A 109 1.226 -16.780 10.216 1.00 0.00 C ATOM 1373 CG LEU A 109 2.158 -15.736 10.831 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.420 -14.908 11.872 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.378 -16.407 11.447 1.00 0.00 C ATOM 0 H LEU A 109 2.228 -15.774 8.202 1.00 0.00 H new ATOM 0 HA LEU A 109 2.628 -18.240 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.344 -16.268 9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.887 -17.447 11.009 1.00 0.00 H new ATOM 0 HG LEU A 109 2.497 -15.068 10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.100 -14.170 12.299 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.579 -14.398 11.402 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.051 -15.562 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.030 -15.649 11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.058 -17.099 12.226 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.920 -16.955 10.676 1.00 0.00 H new ATOM 1387 N GLY A 110 0.063 -18.097 7.484 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.975 -18.900 6.865 1.00 0.00 C ATOM 1389 C GLY A 110 -2.366 -18.370 7.151 1.00 0.00 C ATOM 1390 O GLY A 110 -3.359 -19.060 6.919 1.00 0.00 O ATOM 0 H GLY A 110 0.206 -17.180 7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.815 -18.928 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.899 -19.926 7.225 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.438 -17.143 7.657 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.718 -16.524 7.977 1.00 0.00 C ATOM 1396 C GLN A 111 -4.081 -15.459 6.946 1.00 0.00 C ATOM 1397 O GLN A 111 -3.211 -14.756 6.432 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.673 -15.902 9.374 1.00 0.00 C ATOM 1399 CG GLN A 111 -3.295 -16.889 10.467 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.735 -16.433 11.843 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.481 -17.129 12.532 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -3.275 -15.256 12.253 1.00 0.00 N ATOM 0 H GLN A 111 -1.625 -16.559 7.854 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.483 -17.300 7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.957 -15.080 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.649 -15.474 9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.745 -17.857 10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -2.214 -17.032 10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -2.659 -14.711 11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -3.538 -14.897 13.171 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.370 -15.346 6.648 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.850 -14.367 5.679 1.00 0.00 C ATOM 1413 C LYS A 112 -5.983 -12.990 6.319 1.00 0.00 C ATOM 1414 O LYS A 112 -6.936 -12.723 7.050 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.198 -14.807 5.104 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.135 -16.114 4.335 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.209 -16.183 3.262 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.201 -17.528 2.552 1.00 0.00 C ATOM 1419 NZ LYS A 112 -7.065 -17.643 1.596 1.00 0.00 N ATOM 0 H LYS A 112 -6.103 -15.921 7.064 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.121 -14.304 4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.915 -14.909 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.574 -14.025 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.153 -16.219 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.255 -16.949 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.187 -16.014 3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.051 -15.386 2.536 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.137 -18.328 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.141 -17.662 2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.424 -17.932 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.587 -16.723 1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.390 -18.354 1.943 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.021 -12.117 6.037 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.033 -10.764 6.582 1.00 0.00 C ATOM 1435 C ILE A 113 -5.708 -9.791 5.623 1.00 0.00 C ATOM 1436 O ILE A 113 -5.702 -9.992 4.408 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.607 -10.267 6.883 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.769 -11.391 7.493 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.651 -9.065 7.815 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.470 -10.913 8.104 1.00 0.00 C ATOM 0 H ILE A 113 -4.224 -12.322 5.435 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.599 -10.803 7.513 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.140 -9.960 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.357 -11.897 8.259 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.548 -12.129 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.636 -8.725 8.019 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.216 -8.260 7.344 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.133 -9.348 8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.928 -11.763 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.862 -10.433 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.683 -10.198 8.898 1.00 0.00 H new ATOM 1452 N THR A 114 -6.290 -8.731 6.176 1.00 0.00 N ATOM 1453 CA THR A 114 -6.969 -7.724 5.371 1.00 0.00 C ATOM 1454 C THR A 114 -6.118 -6.467 5.230 1.00 0.00 C ATOM 1455 O THR A 114 -6.168 -5.572 6.074 1.00 0.00 O ATOM 1456 CB THR A 114 -8.331 -7.342 5.981 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.065 -8.524 6.320 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.141 -6.497 5.008 1.00 0.00 C ATOM 0 H THR A 114 -6.304 -8.548 7.179 1.00 0.00 H new ATOM 0 HA THR A 114 -7.130 -8.163 4.386 1.00 0.00 H new ATOM 0 HB THR A 114 -8.150 -6.757 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.929 -8.272 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.099 -6.239 5.460 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.592 -5.584 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.313 -7.062 4.092 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.338 -6.404 4.156 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.475 -5.255 3.903 1.00 0.00 C ATOM 1468 C LEU A 115 -5.263 -4.111 3.274 1.00 0.00 C ATOM 1469 O LEU A 115 -6.141 -4.334 2.440 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.316 -5.654 2.989 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.650 -6.997 3.296 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.520 -7.269 2.314 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.133 -7.021 4.727 1.00 0.00 C ATOM 0 H LEU A 115 -5.285 -7.135 3.447 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.075 -4.915 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.681 -5.679 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.556 -4.874 3.038 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.396 -7.784 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.058 -8.228 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.918 -7.295 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.773 -6.479 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.663 -7.984 4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.402 -6.224 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -2.964 -6.872 5.417 1.00 0.00 H new ATOM 1485 N TYR A 116 -4.942 -2.887 3.677 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.620 -1.707 3.153 1.00 0.00 C ATOM 1487 C TYR A 116 -4.700 -0.917 2.228 1.00 0.00 C ATOM 1488 O TYR A 116 -3.504 -1.196 2.134 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.097 -0.816 4.300 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.383 -1.288 4.940 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.579 -2.630 5.242 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.401 -0.392 5.245 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.753 -3.066 5.825 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -9.576 -0.819 5.830 1.00 0.00 C ATOM 1495 CZ TYR A 116 -9.748 -2.157 6.118 1.00 0.00 C ATOM 1496 OH TYR A 116 -10.918 -2.587 6.702 1.00 0.00 O ATOM 0 H TYR A 116 -4.216 -2.686 4.365 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.484 -2.040 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.318 -0.770 5.061 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.238 0.198 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.801 -3.344 5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.270 0.656 5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.891 -4.113 6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -10.357 -0.109 6.061 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.514 -1.822 6.843 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.267 0.073 1.546 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.499 0.907 0.628 1.00 0.00 C ATOM 1508 C LEU A 117 -4.982 2.354 0.673 1.00 0.00 C ATOM 1509 O LEU A 117 -6.168 2.628 0.497 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.609 0.364 -0.798 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.712 -0.827 -1.135 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.320 -2.118 -0.610 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.482 -0.914 -2.637 1.00 0.00 C ATOM 0 H LEU A 117 -6.255 0.317 1.612 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.455 0.882 0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.645 0.075 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.380 1.173 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.747 -0.680 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.668 -2.955 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.431 -2.054 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.298 -2.272 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.841 -1.768 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.438 -1.037 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -3.001 0.000 -2.985 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.053 3.274 0.907 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.384 4.693 0.973 1.00 0.00 C ATOM 1527 C ASN A 118 -3.633 5.477 -0.099 1.00 0.00 C ATOM 1528 O ASN A 118 -2.485 5.167 -0.422 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.048 5.252 2.357 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.205 5.124 3.328 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.269 5.709 3.124 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.003 4.355 4.392 1.00 0.00 N ATOM 0 H ASN A 118 -3.066 3.063 1.054 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.454 4.800 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.181 4.726 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -3.769 6.302 2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.746 4.231 5.080 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.105 3.889 4.521 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.289 6.494 -0.649 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.685 7.323 -1.686 1.00 0.00 C ATOM 1541 C PHE A 119 -2.658 8.280 -1.087 1.00 0.00 C ATOM 1542 O PHE A 119 -2.962 9.037 -0.165 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.762 8.113 -2.430 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.568 7.277 -3.383 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -4.950 6.586 -4.412 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -6.944 7.182 -3.249 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.688 5.816 -5.290 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.688 6.413 -4.124 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.059 5.730 -5.146 1.00 0.00 C ATOM 0 H PHE A 119 -5.239 6.764 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.176 6.666 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.433 8.570 -1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.289 8.925 -2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.878 6.650 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.441 7.715 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.194 5.282 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.760 6.346 -4.008 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.638 5.129 -5.832 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.440 8.240 -1.618 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.368 9.104 -1.137 1.00 0.00 C ATOM 1561 C VAL A 120 0.216 9.938 -2.273 1.00 0.00 C ATOM 1562 O VAL A 120 0.639 9.402 -3.295 1.00 0.00 O ATOM 1563 CB VAL A 120 0.761 8.287 -0.483 1.00 0.00 C ATOM 1564 CG1 VAL A 120 0.229 7.500 0.706 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.406 7.358 -1.500 1.00 0.00 C ATOM 0 H VAL A 120 -1.171 7.619 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.806 9.766 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 120 1.523 8.978 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.040 6.928 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.182 8.189 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.553 6.818 0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.202 6.789 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.656 6.672 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.823 7.947 -2.317 1.00 0.00 H new ATOM 1575 N GLU A 121 0.236 11.254 -2.083 1.00 0.00 N ATOM 1576 CA GLU A 121 0.768 12.162 -3.092 1.00 0.00 C ATOM 1577 C GLU A 121 2.282 12.013 -3.214 1.00 0.00 C ATOM 1578 O GLU A 121 2.833 12.036 -4.315 1.00 0.00 O ATOM 1579 CB GLU A 121 0.414 13.610 -2.745 1.00 0.00 C ATOM 1580 CG GLU A 121 0.649 13.961 -1.287 1.00 0.00 C ATOM 1581 CD GLU A 121 0.546 15.451 -1.021 1.00 0.00 C ATOM 1582 OE1 GLU A 121 1.071 16.236 -1.838 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.061 15.830 0.003 1.00 0.00 O ATOM 0 H GLU A 121 -0.110 11.714 -1.241 1.00 0.00 H new ATOM 0 HA GLU A 121 0.316 11.904 -4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.004 14.279 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.634 13.787 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.078 13.434 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.636 13.610 -0.987 1.00 0.00 H new ATOM 1590 N LYS A 122 2.949 11.861 -2.074 1.00 0.00 N ATOM 1591 CA LYS A 122 4.398 11.708 -2.051 1.00 0.00 C ATOM 1592 C LYS A 122 4.817 10.650 -1.035 1.00 0.00 C ATOM 1593 O LYS A 122 4.012 10.210 -0.215 1.00 0.00 O ATOM 1594 CB LYS A 122 5.068 13.043 -1.718 1.00 0.00 C ATOM 1595 CG LYS A 122 4.620 13.634 -0.393 1.00 0.00 C ATOM 1596 CD LYS A 122 5.195 15.024 -0.180 1.00 0.00 C ATOM 1597 CE LYS A 122 6.568 14.966 0.470 1.00 0.00 C ATOM 1598 NZ LYS A 122 6.479 14.966 1.957 1.00 0.00 N ATOM 0 H LYS A 122 2.508 11.841 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 122 4.720 11.384 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 122 6.149 12.902 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.855 13.756 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.531 13.681 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.933 12.981 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.266 15.540 -1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.519 15.606 0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.089 14.068 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.161 15.819 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.436 14.926 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.004 15.834 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.935 14.138 2.272 1.00 0.00 H new ATOM 1612 N VAL A 123 6.082 10.246 -1.096 1.00 0.00 N ATOM 1613 CA VAL A 123 6.608 9.241 -0.178 1.00 0.00 C ATOM 1614 C VAL A 123 8.131 9.295 -0.120 1.00 0.00 C ATOM 1615 O VAL A 123 8.792 9.543 -1.129 1.00 0.00 O ATOM 1616 CB VAL A 123 6.171 7.823 -0.589 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.840 6.781 0.294 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.656 7.694 -0.526 1.00 0.00 C ATOM 0 H VAL A 123 6.761 10.598 -1.770 1.00 0.00 H new ATOM 0 HA VAL A 123 6.201 9.467 0.808 1.00 0.00 H new ATOM 0 HB VAL A 123 6.486 7.648 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.519 5.785 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.923 6.860 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.559 6.950 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.364 6.686 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.316 7.888 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.201 8.415 -1.205 1.00 0.00 H new ATOM 1628 N GLN A 124 8.680 9.059 1.067 1.00 0.00 N ATOM 1629 CA GLN A 124 10.126 9.080 1.257 1.00 0.00 C ATOM 1630 C GLN A 124 10.785 7.899 0.551 1.00 0.00 C ATOM 1631 O GLN A 124 11.265 6.968 1.196 1.00 0.00 O ATOM 1632 CB GLN A 124 10.467 9.053 2.747 1.00 0.00 C ATOM 1633 CG GLN A 124 9.470 8.270 3.586 1.00 0.00 C ATOM 1634 CD GLN A 124 9.999 7.941 4.967 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.298 8.836 5.759 1.00 0.00 O ATOM 1636 NE2 GLN A 124 10.118 6.653 5.265 1.00 0.00 N ATOM 0 H GLN A 124 8.146 8.851 1.911 1.00 0.00 H new ATOM 0 HA GLN A 124 10.511 10.002 0.821 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.458 8.618 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.517 10.077 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.550 8.847 3.682 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.214 7.345 3.070 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.859 5.945 4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.469 6.372 6.180 1.00 0.00 H new ATOM 1645 N TRP A 125 10.804 7.945 -0.776 1.00 0.00 N ATOM 1646 CA TRP A 125 11.403 6.878 -1.569 1.00 0.00 C ATOM 1647 C TRP A 125 12.916 6.842 -1.378 1.00 0.00 C ATOM 1648 O TRP A 125 13.517 7.817 -0.926 1.00 0.00 O ATOM 1649 CB TRP A 125 11.068 7.065 -3.050 1.00 0.00 C ATOM 1650 CG TRP A 125 9.596 7.109 -3.325 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.832 8.223 -3.527 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.710 5.989 -3.426 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.525 7.863 -3.747 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.424 6.498 -3.691 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.877 4.606 -3.319 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.314 5.672 -3.850 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.775 3.787 -3.477 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.507 4.321 -3.741 1.00 0.00 C ATOM 0 H TRP A 125 10.412 8.710 -1.325 1.00 0.00 H new ATOM 0 HA TRP A 125 10.989 5.929 -1.227 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.524 7.989 -3.404 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.513 6.250 -3.621 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.201 9.238 -3.515 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.754 8.508 -3.923 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.850 4.184 -3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.336 6.083 -4.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.893 2.717 -3.396 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.666 3.654 -3.861 1.00 0.00 H new ATOM 1669 N SER A 126 13.526 5.713 -1.725 1.00 0.00 N ATOM 1670 CA SER A 126 14.968 5.550 -1.589 1.00 0.00 C ATOM 1671 C SER A 126 15.713 6.513 -2.507 1.00 0.00 C ATOM 1672 O SER A 126 15.623 6.417 -3.730 1.00 0.00 O ATOM 1673 CB SER A 126 15.372 4.108 -1.905 1.00 0.00 C ATOM 1674 OG SER A 126 16.527 3.731 -1.176 1.00 0.00 O ATOM 0 H SER A 126 13.043 4.898 -2.103 1.00 0.00 H new ATOM 0 HA SER A 126 15.239 5.777 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.549 3.435 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 126 15.563 4.006 -2.973 1.00 0.00 H new ATOM 0 HG SER A 126 16.764 2.805 -1.394 1.00 0.00 H new ATOM 1680 N GLY A 127 16.451 7.442 -1.907 1.00 0.00 N ATOM 1681 CA GLY A 127 17.201 8.411 -2.686 1.00 0.00 C ATOM 1682 C GLY A 127 16.556 9.782 -2.684 1.00 0.00 C ATOM 1683 O GLY A 127 15.332 9.915 -2.655 1.00 0.00 O ATOM 0 H GLY A 127 16.543 7.541 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 127 18.212 8.488 -2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 127 17.290 8.056 -3.713 1.00 0.00 H new ATOM 1687 N PRO A 128 17.389 10.833 -2.714 1.00 0.00 N ATOM 1688 CA PRO A 128 16.914 12.219 -2.716 1.00 0.00 C ATOM 1689 C PRO A 128 16.233 12.597 -4.026 1.00 0.00 C ATOM 1690 O PRO A 128 15.445 13.542 -4.078 1.00 0.00 O ATOM 1691 CB PRO A 128 18.196 13.033 -2.525 1.00 0.00 C ATOM 1692 CG PRO A 128 19.282 12.159 -3.050 1.00 0.00 C ATOM 1693 CD PRO A 128 18.859 10.748 -2.749 1.00 0.00 C ATOM 0 HA PRO A 128 16.163 12.394 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 128 18.150 13.977 -3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 128 18.357 13.277 -1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 128 19.417 12.306 -4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 128 20.235 12.391 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 128 19.203 10.053 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 128 19.264 10.401 -1.799 1.00 0.00 H new ATOM 1701 N SER A 129 16.543 11.854 -5.084 1.00 0.00 N ATOM 1702 CA SER A 129 15.962 12.114 -6.397 1.00 0.00 C ATOM 1703 C SER A 129 15.923 13.613 -6.686 1.00 0.00 C ATOM 1704 O SER A 129 14.932 14.131 -7.200 1.00 0.00 O ATOM 1705 CB SER A 129 14.550 11.531 -6.478 1.00 0.00 C ATOM 1706 OG SER A 129 13.706 12.099 -5.493 1.00 0.00 O ATOM 0 H SER A 129 17.192 11.068 -5.058 1.00 0.00 H new ATOM 0 HA SER A 129 16.590 11.632 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 129 14.133 11.715 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 129 14.592 10.450 -6.346 1.00 0.00 H new ATOM 0 HG SER A 129 14.134 12.896 -5.116 1.00 0.00 H new ATOM 1712 N SER A 130 17.010 14.301 -6.353 1.00 0.00 N ATOM 1713 CA SER A 130 17.099 15.740 -6.573 1.00 0.00 C ATOM 1714 C SER A 130 17.740 16.044 -7.924 1.00 0.00 C ATOM 1715 O SER A 130 17.241 16.869 -8.689 1.00 0.00 O ATOM 1716 CB SER A 130 17.907 16.400 -5.453 1.00 0.00 C ATOM 1717 OG SER A 130 19.273 16.025 -5.521 1.00 0.00 O ATOM 0 H SER A 130 17.840 13.886 -5.930 1.00 0.00 H new ATOM 0 HA SER A 130 16.088 16.146 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 130 17.820 17.484 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 130 17.495 16.113 -4.485 1.00 0.00 H new ATOM 0 HG SER A 130 19.768 16.461 -4.796 1.00 0.00 H new ATOM 1723 N GLY A 131 18.850 15.370 -8.211 1.00 0.00 N ATOM 1724 CA GLY A 131 19.541 15.580 -9.469 1.00 0.00 C ATOM 1725 C GLY A 131 21.048 15.612 -9.305 1.00 0.00 C ATOM 1726 O GLY A 131 21.593 16.526 -8.688 1.00 0.00 O ATOM 0 H GLY A 131 19.283 14.682 -7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 131 19.271 14.786 -10.165 1.00 0.00 H new ATOM 0 HA3 GLY A 131 19.207 16.519 -9.911 1.00 0.00 H new TER 1730 GLY A 131