USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 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 67 TYR OH : rot -161:sc= 0.776 USER MOD Set 1.2: A 71 HIS :FLIP no HD1:sc= -2.03! F(o=-2.2,f=-1.3!) USER MOD Set 2.1: A 40 SER OG : rot 81:sc= -1.49! USER MOD Set 2.2: A 52 ASN :FLIP amide:sc= -3.63! C(o=-6.3!,f=-5.1!) USER MOD Set 3.1: A 26 HIS : no HD1:sc= -11.4! C(o=-21!,f=-32!) USER MOD Set 3.2: A 31 ASN : amide:sc= -9.5! C(o=-21!,f=-35!) USER MOD Single : A 2 SER OG : rot -25:sc= 0.458 USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -0.89 (180deg=-0.949) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -32:sc= 0.546 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ -150:sc= 1.36 (180deg=0.346) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0.231 (180deg=-0.81) USER MOD Single : A 12 THR OG1 : rot 75:sc= 0.731 USER MOD Single : A 14 CYS SG : rot 148:sc= -0.97 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.61 USER MOD Single : A 18 HIS : no HD1:sc= -6.41! C(o=-6.4!,f=-7.4!) USER MOD Single : A 19 THR OG1 : rot -160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.5) USER MOD Single : A 39 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.36) USER MOD Single : A 42 GLN : amide:sc= -0.799 K(o=-0.8,f=-6.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 80:sc= -2.07! USER MOD Single : A 49 THR OG1 : rot 120:sc= -2.37 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= -1.05 (180deg=-1.08) USER MOD Single : A 56 ASN : amide:sc= -0.559! C(o=-0.56!,f=-7.2!) USER MOD Single : A 62 ASN : amide:sc=-0.00259 K(o=-0.0026,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 64 MET CE :methyl 168:sc= -1.58 (180deg=-1.94) USER MOD Single : A 65 SER OG : rot 82:sc= 0.731 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.4!) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc=-0.00837 (180deg=-0.209) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -160:sc= -0.965 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 136:sc= -1.41 (180deg=-4.71!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.33 K(o=-1.3,f=-3!) USER MOD Single : A 96 THR OG1 : rot 66:sc= -0.422 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 78:sc= 0.298 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -13.010 8.162 3.007 1.00 0.00 N ATOM 33 CA PHE A -3 -12.119 8.313 4.191 1.00 0.00 C ATOM 34 C PHE A -3 -11.704 9.781 4.333 1.00 0.00 C ATOM 35 O PHE A -3 -11.804 10.556 3.403 1.00 0.00 O ATOM 36 CB PHE A -3 -10.877 7.437 4.008 1.00 0.00 C ATOM 37 CG PHE A -3 -10.110 7.893 2.789 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.487 7.449 1.515 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.019 8.759 2.933 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.775 7.872 0.387 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.307 9.181 1.805 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.685 8.738 0.532 1.00 0.00 C ATOM 0 H1 PHE A -3 -13.673 7.378 3.170 1.00 0.00 H new ATOM 0 H2 PHE A -3 -13.544 9.042 2.860 1.00 0.00 H new ATOM 0 H3 PHE A -3 -12.436 7.960 2.164 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.649 8.001 5.091 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -10.243 7.498 4.893 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.169 6.393 3.897 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.327 6.780 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.727 9.101 3.915 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.066 7.530 -0.595 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.465 9.849 1.916 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.135 9.065 -0.338 1.00 0.00 H new ATOM 52 N LYS A -2 -11.243 10.169 5.491 1.00 0.00 N ATOM 53 CA LYS A -2 -10.827 11.587 5.691 1.00 0.00 C ATOM 54 C LYS A -2 -9.528 11.850 4.928 1.00 0.00 C ATOM 55 O LYS A -2 -8.581 11.095 5.021 1.00 0.00 O ATOM 56 CB LYS A -2 -10.605 11.848 7.185 1.00 0.00 C ATOM 57 CG LYS A -2 -10.344 13.339 7.426 1.00 0.00 C ATOM 58 CD LYS A -2 -11.671 14.104 7.451 1.00 0.00 C ATOM 59 CE LYS A -2 -11.421 15.541 7.913 1.00 0.00 C ATOM 60 NZ LYS A -2 -12.101 16.488 6.985 1.00 0.00 N ATOM 0 H LYS A -2 -11.136 9.566 6.307 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.607 12.251 5.318 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -11.479 11.528 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.760 11.260 7.543 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -9.817 13.477 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.700 13.736 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.123 14.103 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.375 13.612 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.795 15.678 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -10.351 15.745 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -11.931 17.465 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.724 16.363 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -13.124 16.298 6.983 1.00 0.00 H new ATOM 74 N ALA A -1 -9.476 12.915 4.174 1.00 0.00 N ATOM 75 CA ALA A -1 -8.242 13.226 3.402 1.00 0.00 C ATOM 76 C ALA A -1 -7.494 14.385 4.065 1.00 0.00 C ATOM 77 O ALA A -1 -7.775 14.760 5.186 1.00 0.00 O ATOM 78 CB ALA A -1 -8.622 13.618 1.975 1.00 0.00 C ATOM 0 H ALA A -1 -10.238 13.584 4.060 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.598 12.347 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.720 13.846 1.408 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -9.150 12.792 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -9.267 14.496 1.999 1.00 0.00 H new ATOM 84 N GLY A 1 -6.542 14.956 3.377 1.00 0.00 N ATOM 85 CA GLY A 1 -5.773 16.091 3.961 1.00 0.00 C ATOM 86 C GLY A 1 -5.011 16.813 2.849 1.00 0.00 C ATOM 87 O GLY A 1 -5.398 17.877 2.407 1.00 0.00 O ATOM 0 H GLY A 1 -6.264 14.684 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.449 16.783 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.077 15.723 4.715 1.00 0.00 H new ATOM 91 N SER A 2 -3.932 16.241 2.388 1.00 0.00 N ATOM 92 CA SER A 2 -3.150 16.886 1.303 1.00 0.00 C ATOM 93 C SER A 2 -2.438 15.802 0.492 1.00 0.00 C ATOM 94 O SER A 2 -1.552 15.128 0.979 1.00 0.00 O ATOM 95 CB SER A 2 -2.116 17.831 1.915 1.00 0.00 C ATOM 96 OG SER A 2 -0.933 17.103 2.216 1.00 0.00 O ATOM 0 H SER A 2 -3.560 15.351 2.720 1.00 0.00 H new ATOM 0 HA SER A 2 -3.816 17.454 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.891 18.641 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.515 18.288 2.820 1.00 0.00 H new ATOM 0 HG SER A 2 -1.155 16.157 2.345 1.00 0.00 H new ATOM 102 N ALA A 3 -2.820 15.626 -0.743 1.00 0.00 N ATOM 103 CA ALA A 3 -2.169 14.586 -1.585 1.00 0.00 C ATOM 104 C ALA A 3 -0.712 14.968 -1.843 1.00 0.00 C ATOM 105 O ALA A 3 0.137 14.121 -2.039 1.00 0.00 O ATOM 106 CB ALA A 3 -2.912 14.474 -2.918 1.00 0.00 C ATOM 0 H ALA A 3 -3.556 16.159 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.202 13.628 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.437 13.713 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.950 14.196 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.879 15.433 -3.434 1.00 0.00 H new ATOM 112 N LYS A 4 -0.417 16.237 -1.853 1.00 0.00 N ATOM 113 CA LYS A 4 0.984 16.673 -2.109 1.00 0.00 C ATOM 114 C LYS A 4 1.915 16.043 -1.071 1.00 0.00 C ATOM 115 O LYS A 4 2.928 15.462 -1.406 1.00 0.00 O ATOM 116 CB LYS A 4 1.056 18.196 -1.996 1.00 0.00 C ATOM 117 CG LYS A 4 0.084 18.823 -2.996 1.00 0.00 C ATOM 118 CD LYS A 4 -0.633 20.004 -2.337 1.00 0.00 C ATOM 119 CE LYS A 4 -1.768 19.481 -1.452 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.030 20.455 -0.355 1.00 0.00 N ATOM 0 H LYS A 4 -1.085 16.992 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 4 1.292 16.358 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.806 18.509 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.071 18.539 -2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.623 19.159 -3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.643 18.081 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.071 20.584 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.031 20.674 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.670 19.335 -2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.501 18.510 -1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.894 20.180 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.226 20.459 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.153 21.406 -0.757 1.00 0.00 H new ATOM 134 N LYS A 5 1.580 16.149 0.186 1.00 0.00 N ATOM 135 CA LYS A 5 2.445 15.551 1.237 1.00 0.00 C ATOM 136 C LYS A 5 2.434 14.028 1.106 1.00 0.00 C ATOM 137 O LYS A 5 3.456 13.377 1.200 1.00 0.00 O ATOM 138 CB LYS A 5 1.912 15.950 2.610 1.00 0.00 C ATOM 139 CG LYS A 5 2.028 17.465 2.784 1.00 0.00 C ATOM 140 CD LYS A 5 1.606 17.851 4.203 1.00 0.00 C ATOM 141 CE LYS A 5 1.607 19.375 4.339 1.00 0.00 C ATOM 142 NZ LYS A 5 1.776 19.746 5.773 1.00 0.00 N ATOM 0 H LYS A 5 0.745 16.624 0.528 1.00 0.00 H new ATOM 0 HA LYS A 5 3.466 15.913 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.872 15.641 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.474 15.440 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.053 17.785 2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.398 17.975 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.613 17.457 4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.289 17.410 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.414 19.803 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.674 19.786 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.777 20.782 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.992 19.349 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.678 19.366 6.126 1.00 0.00 H new ATOM 156 N GLY A 6 1.282 13.459 0.889 1.00 0.00 N ATOM 157 CA GLY A 6 1.189 11.978 0.751 1.00 0.00 C ATOM 158 C GLY A 6 1.947 11.524 -0.493 1.00 0.00 C ATOM 159 O GLY A 6 2.538 10.463 -0.520 1.00 0.00 O ATOM 0 H GLY A 6 0.396 13.957 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.603 11.495 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.144 11.675 0.682 1.00 0.00 H new ATOM 163 N ALA A 7 1.926 12.313 -1.531 1.00 0.00 N ATOM 164 CA ALA A 7 2.637 11.915 -2.777 1.00 0.00 C ATOM 165 C ALA A 7 4.125 11.738 -2.482 1.00 0.00 C ATOM 166 O ALA A 7 4.739 10.780 -2.902 1.00 0.00 O ATOM 167 CB ALA A 7 2.451 13.000 -3.839 1.00 0.00 C ATOM 0 H ALA A 7 1.449 13.214 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 7 2.227 10.974 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.971 12.709 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.389 13.124 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.860 13.942 -3.473 1.00 0.00 H new ATOM 173 N THR A 8 4.710 12.652 -1.761 1.00 0.00 N ATOM 174 CA THR A 8 6.156 12.528 -1.444 1.00 0.00 C ATOM 175 C THR A 8 6.358 11.466 -0.363 1.00 0.00 C ATOM 176 O THR A 8 7.380 10.812 -0.308 1.00 0.00 O ATOM 177 CB THR A 8 6.681 13.871 -0.944 1.00 0.00 C ATOM 178 OG1 THR A 8 6.081 14.178 0.307 1.00 0.00 O ATOM 179 CG2 THR A 8 6.341 14.964 -1.958 1.00 0.00 C ATOM 0 H THR A 8 4.249 13.478 -1.379 1.00 0.00 H new ATOM 0 HA THR A 8 6.700 12.234 -2.342 1.00 0.00 H new ATOM 0 HB THR A 8 7.763 13.815 -0.823 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.173 13.809 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.717 15.922 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.804 14.728 -2.916 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.260 15.022 -2.082 1.00 0.00 H new ATOM 187 N LEU A 9 5.396 11.288 0.501 1.00 0.00 N ATOM 188 CA LEU A 9 5.544 10.270 1.575 1.00 0.00 C ATOM 189 C LEU A 9 5.894 8.924 0.943 1.00 0.00 C ATOM 190 O LEU A 9 6.808 8.241 1.367 1.00 0.00 O ATOM 191 CB LEU A 9 4.223 10.147 2.335 1.00 0.00 C ATOM 192 CG LEU A 9 4.395 9.183 3.510 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.329 9.805 4.550 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.033 8.911 4.150 1.00 0.00 C ATOM 0 H LEU A 9 4.516 11.804 0.508 1.00 0.00 H new ATOM 0 HA LEU A 9 6.335 10.568 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.908 11.125 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.440 9.787 1.668 1.00 0.00 H new ATOM 0 HG LEU A 9 4.823 8.247 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.451 9.117 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.301 10.000 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.902 10.741 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.155 8.224 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.606 9.848 4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.366 8.467 3.411 1.00 0.00 H new ATOM 206 N PHE A 10 5.181 8.547 -0.077 1.00 0.00 N ATOM 207 CA PHE A 10 5.471 7.256 -0.756 1.00 0.00 C ATOM 208 C PHE A 10 6.850 7.329 -1.405 1.00 0.00 C ATOM 209 O PHE A 10 7.645 6.413 -1.316 1.00 0.00 O ATOM 210 CB PHE A 10 4.415 7.008 -1.838 1.00 0.00 C ATOM 211 CG PHE A 10 4.680 5.690 -2.533 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.711 5.587 -3.476 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.887 4.572 -2.240 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.949 4.369 -4.124 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.123 3.354 -2.893 1.00 0.00 C ATOM 216 CZ PHE A 10 5.156 3.253 -3.834 1.00 0.00 C ATOM 0 H PHE A 10 4.406 9.079 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 10 5.450 6.444 -0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.421 6.999 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.430 7.820 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.323 6.448 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.094 4.649 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.746 4.291 -4.849 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.509 2.494 -2.671 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.340 2.314 -4.335 1.00 0.00 H new ATOM 226 N LYS A 11 7.129 8.409 -2.079 1.00 0.00 N ATOM 227 CA LYS A 11 8.439 8.553 -2.761 1.00 0.00 C ATOM 228 C LYS A 11 9.586 8.516 -1.749 1.00 0.00 C ATOM 229 O LYS A 11 10.678 8.078 -2.053 1.00 0.00 O ATOM 230 CB LYS A 11 8.478 9.886 -3.507 1.00 0.00 C ATOM 231 CG LYS A 11 7.405 9.899 -4.596 1.00 0.00 C ATOM 232 CD LYS A 11 7.539 11.174 -5.431 1.00 0.00 C ATOM 233 CE LYS A 11 6.392 11.247 -6.440 1.00 0.00 C ATOM 234 NZ LYS A 11 5.093 11.296 -5.713 1.00 0.00 N ATOM 0 H LYS A 11 6.498 9.203 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 11 8.558 7.724 -3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.313 10.708 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.462 10.037 -3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.509 9.021 -5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.414 9.850 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.523 12.050 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.496 11.181 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.502 12.130 -7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.419 10.380 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.539 10.444 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.270 11.338 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.562 12.140 -6.007 1.00 0.00 H new ATOM 248 N THR A 12 9.363 9.004 -0.563 1.00 0.00 N ATOM 249 CA THR A 12 10.458 9.029 0.448 1.00 0.00 C ATOM 250 C THR A 12 10.376 7.817 1.381 1.00 0.00 C ATOM 251 O THR A 12 11.149 7.704 2.312 1.00 0.00 O ATOM 252 CB THR A 12 10.343 10.314 1.273 1.00 0.00 C ATOM 253 OG1 THR A 12 10.101 11.411 0.403 1.00 0.00 O ATOM 254 CG2 THR A 12 11.640 10.553 2.047 1.00 0.00 C ATOM 0 H THR A 12 8.471 9.387 -0.248 1.00 0.00 H new ATOM 0 HA THR A 12 11.415 8.995 -0.073 1.00 0.00 H new ATOM 0 HB THR A 12 9.518 10.216 1.979 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.171 11.385 0.095 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.551 11.469 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.825 9.712 2.715 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.469 10.649 1.346 1.00 0.00 H new ATOM 262 N ARG A 13 9.451 6.918 1.163 1.00 0.00 N ATOM 263 CA ARG A 13 9.353 5.739 2.077 1.00 0.00 C ATOM 264 C ARG A 13 9.135 4.439 1.295 1.00 0.00 C ATOM 265 O ARG A 13 9.982 3.568 1.283 1.00 0.00 O ATOM 266 CB ARG A 13 8.186 5.946 3.039 1.00 0.00 C ATOM 267 CG ARG A 13 8.505 7.110 3.981 1.00 0.00 C ATOM 268 CD ARG A 13 7.413 7.222 5.044 1.00 0.00 C ATOM 269 NE ARG A 13 7.655 8.434 5.877 1.00 0.00 N ATOM 270 CZ ARG A 13 7.040 8.574 7.019 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.213 7.652 7.432 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.251 9.635 7.749 1.00 0.00 N ATOM 0 H ARG A 13 8.769 6.946 0.405 1.00 0.00 H new ATOM 0 HA ARG A 13 10.291 5.654 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.273 6.155 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.008 5.037 3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.474 6.952 4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.574 8.040 3.416 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.433 7.283 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.408 6.331 5.672 1.00 0.00 H new ATOM 0 HE ARG A 13 8.301 9.154 5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.048 6.823 6.862 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.732 7.761 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.897 10.356 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.770 9.744 8.642 1.00 0.00 H new ATOM 286 N CYS A 14 8.004 4.283 0.665 1.00 0.00 N ATOM 287 CA CYS A 14 7.744 3.019 -0.083 1.00 0.00 C ATOM 288 C CYS A 14 8.717 2.892 -1.258 1.00 0.00 C ATOM 289 O CYS A 14 9.038 1.802 -1.690 1.00 0.00 O ATOM 290 CB CYS A 14 6.305 3.007 -0.602 1.00 0.00 C ATOM 291 SG CYS A 14 5.200 3.923 0.518 1.00 0.00 S ATOM 0 H CYS A 14 7.252 4.971 0.635 1.00 0.00 H new ATOM 0 HA CYS A 14 7.890 2.176 0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.270 3.451 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.958 1.978 -0.700 1.00 0.00 H new ATOM 0 HG CYS A 14 4.250 4.483 -0.171 1.00 0.00 H new ATOM 296 N LEU A 15 9.193 3.987 -1.780 1.00 0.00 N ATOM 297 CA LEU A 15 10.145 3.909 -2.925 1.00 0.00 C ATOM 298 C LEU A 15 11.326 3.012 -2.553 1.00 0.00 C ATOM 299 O LEU A 15 11.867 2.306 -3.380 1.00 0.00 O ATOM 300 CB LEU A 15 10.658 5.308 -3.263 1.00 0.00 C ATOM 301 CG LEU A 15 11.574 5.246 -4.491 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.752 4.898 -5.735 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.244 6.607 -4.691 1.00 0.00 C ATOM 0 H LEU A 15 8.966 4.930 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 15 9.630 3.491 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.818 5.975 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.202 5.720 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 15 12.333 4.480 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.408 4.855 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.272 3.929 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.990 5.661 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.896 6.567 -5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.480 7.370 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.833 6.856 -3.808 1.00 0.00 H new ATOM 315 N GLN A 16 11.739 3.047 -1.318 1.00 0.00 N ATOM 316 CA GLN A 16 12.896 2.210 -0.897 1.00 0.00 C ATOM 317 C GLN A 16 12.623 0.733 -1.201 1.00 0.00 C ATOM 318 O GLN A 16 13.519 0.002 -1.575 1.00 0.00 O ATOM 319 CB GLN A 16 13.125 2.383 0.605 1.00 0.00 C ATOM 320 CG GLN A 16 13.534 3.828 0.898 1.00 0.00 C ATOM 321 CD GLN A 16 13.712 4.014 2.406 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.261 3.200 3.187 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.355 5.058 2.850 1.00 0.00 N ATOM 0 H GLN A 16 11.326 3.619 -0.582 1.00 0.00 H new ATOM 0 HA GLN A 16 13.782 2.527 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.216 2.133 1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.901 1.698 0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.463 4.066 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.775 4.515 0.524 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.733 5.741 2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.480 5.192 3.854 1.00 0.00 H new ATOM 332 N CYS A 17 11.404 0.283 -1.034 1.00 0.00 N ATOM 333 CA CYS A 17 11.101 -1.156 -1.306 1.00 0.00 C ATOM 334 C CYS A 17 10.155 -1.299 -2.503 1.00 0.00 C ATOM 335 O CYS A 17 10.340 -2.153 -3.347 1.00 0.00 O ATOM 336 CB CYS A 17 10.455 -1.786 -0.068 1.00 0.00 C ATOM 337 SG CYS A 17 11.627 -1.745 1.322 1.00 0.00 S ATOM 0 H CYS A 17 10.611 0.845 -0.724 1.00 0.00 H new ATOM 0 HA CYS A 17 12.035 -1.667 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.545 -1.246 0.194 1.00 0.00 H new ATOM 0 HB3 CYS A 17 10.164 -2.815 -0.281 1.00 0.00 H new ATOM 0 HG CYS A 17 11.075 -2.278 2.371 1.00 0.00 H new ATOM 342 N HIS A 18 9.138 -0.492 -2.579 1.00 0.00 N ATOM 343 CA HIS A 18 8.180 -0.615 -3.720 1.00 0.00 C ATOM 344 C HIS A 18 8.476 0.423 -4.796 1.00 0.00 C ATOM 345 O HIS A 18 9.016 1.476 -4.535 1.00 0.00 O ATOM 346 CB HIS A 18 6.754 -0.363 -3.243 1.00 0.00 C ATOM 347 CG HIS A 18 6.371 -1.338 -2.176 1.00 0.00 C ATOM 348 ND1 HIS A 18 6.121 -2.679 -2.441 1.00 0.00 N ATOM 349 CD2 HIS A 18 6.131 -1.166 -0.842 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.736 -3.252 -1.285 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.725 -2.364 -0.291 1.00 0.00 N ATOM 0 H HIS A 18 8.925 0.245 -1.907 1.00 0.00 H new ATOM 0 HA HIS A 18 8.289 -1.622 -4.122 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.668 0.654 -2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.065 -0.447 -4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.242 -0.237 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.471 -4.293 -1.177 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.468 -2.536 0.681 1.00 0.00 H new ATOM 359 N THR A 19 8.078 0.138 -6.001 1.00 0.00 N ATOM 360 CA THR A 19 8.272 1.106 -7.114 1.00 0.00 C ATOM 361 C THR A 19 6.910 1.355 -7.768 1.00 0.00 C ATOM 362 O THR A 19 6.196 0.429 -8.099 1.00 0.00 O ATOM 363 CB THR A 19 9.230 0.520 -8.146 1.00 0.00 C ATOM 364 OG1 THR A 19 10.410 0.068 -7.496 1.00 0.00 O ATOM 365 CG2 THR A 19 9.590 1.592 -9.177 1.00 0.00 C ATOM 0 H THR A 19 7.621 -0.734 -6.266 1.00 0.00 H new ATOM 0 HA THR A 19 8.691 2.038 -6.734 1.00 0.00 H new ATOM 0 HB THR A 19 8.751 -0.319 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.135 -0.009 -8.151 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.275 1.173 -9.914 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.684 1.935 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.068 2.433 -8.675 1.00 0.00 H new ATOM 373 N VAL A 20 6.534 2.589 -7.953 1.00 0.00 N ATOM 374 CA VAL A 20 5.209 2.876 -8.578 1.00 0.00 C ATOM 375 C VAL A 20 5.290 2.660 -10.090 1.00 0.00 C ATOM 376 O VAL A 20 4.286 2.507 -10.757 1.00 0.00 O ATOM 377 CB VAL A 20 4.813 4.323 -8.292 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.714 4.531 -6.786 1.00 0.00 C ATOM 379 CG2 VAL A 20 5.874 5.263 -8.865 1.00 0.00 C ATOM 0 H VAL A 20 7.083 3.410 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 20 4.462 2.203 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 20 3.849 4.536 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.431 5.563 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.961 3.859 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.679 4.320 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.593 6.296 -8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.837 5.051 -8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.950 5.113 -9.942 1.00 0.00 H new ATOM 389 N GLU A 21 6.473 2.650 -10.638 1.00 0.00 N ATOM 390 CA GLU A 21 6.607 2.446 -12.108 1.00 0.00 C ATOM 391 C GLU A 21 5.873 1.166 -12.510 1.00 0.00 C ATOM 392 O GLU A 21 5.833 0.205 -11.767 1.00 0.00 O ATOM 393 CB GLU A 21 8.087 2.323 -12.474 1.00 0.00 C ATOM 394 CG GLU A 21 8.235 2.261 -13.995 1.00 0.00 C ATOM 395 CD GLU A 21 9.703 2.035 -14.358 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.507 1.919 -13.447 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.000 1.985 -15.539 1.00 0.00 O ATOM 0 H GLU A 21 7.351 2.774 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 21 6.174 3.296 -12.635 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.642 3.174 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.511 1.427 -12.020 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.622 1.455 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.877 3.188 -14.444 1.00 0.00 H new ATOM 404 N LYS A 22 5.289 1.145 -13.676 1.00 0.00 N ATOM 405 CA LYS A 22 4.557 -0.076 -14.114 1.00 0.00 C ATOM 406 C LYS A 22 5.504 -1.273 -14.058 1.00 0.00 C ATOM 407 O LYS A 22 6.639 -1.200 -14.487 1.00 0.00 O ATOM 408 CB LYS A 22 4.056 0.114 -15.548 1.00 0.00 C ATOM 409 CG LYS A 22 3.144 -1.053 -15.929 1.00 0.00 C ATOM 410 CD LYS A 22 2.693 -0.896 -17.383 1.00 0.00 C ATOM 411 CE LYS A 22 1.656 -1.971 -17.715 1.00 0.00 C ATOM 412 NZ LYS A 22 1.415 -1.990 -19.185 1.00 0.00 N ATOM 0 H LYS A 22 5.287 1.917 -14.342 1.00 0.00 H new ATOM 0 HA LYS A 22 3.706 -0.250 -13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.514 1.056 -15.633 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.900 0.169 -16.235 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.672 -1.998 -15.801 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.277 -1.081 -15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.267 0.095 -17.538 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.549 -0.983 -18.052 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.008 -2.947 -17.381 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.725 -1.769 -17.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.710 -2.720 -19.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.062 -1.061 -19.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.305 -2.202 -19.680 1.00 0.00 H new ATOM 426 N GLY A 23 5.054 -2.373 -13.522 1.00 0.00 N ATOM 427 CA GLY A 23 5.937 -3.568 -13.430 1.00 0.00 C ATOM 428 C GLY A 23 7.080 -3.269 -12.462 1.00 0.00 C ATOM 429 O GLY A 23 7.121 -3.775 -11.357 1.00 0.00 O ATOM 0 H GLY A 23 4.114 -2.496 -13.144 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.368 -4.431 -13.085 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.333 -3.820 -14.414 1.00 0.00 H new ATOM 433 N GLY A 24 8.006 -2.446 -12.867 1.00 0.00 N ATOM 434 CA GLY A 24 9.150 -2.103 -11.975 1.00 0.00 C ATOM 435 C GLY A 24 9.800 -3.389 -11.461 1.00 0.00 C ATOM 436 O GLY A 24 9.289 -4.473 -11.655 1.00 0.00 O ATOM 0 H GLY A 24 8.020 -1.994 -13.781 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.882 -1.505 -12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.803 -1.498 -11.137 1.00 0.00 H new ATOM 440 N PRO A 25 10.921 -3.263 -10.808 1.00 0.00 N ATOM 441 CA PRO A 25 11.663 -4.425 -10.251 1.00 0.00 C ATOM 442 C PRO A 25 11.053 -4.925 -8.939 1.00 0.00 C ATOM 443 O PRO A 25 10.648 -4.151 -8.095 1.00 0.00 O ATOM 444 CB PRO A 25 13.062 -3.866 -10.007 1.00 0.00 C ATOM 445 CG PRO A 25 12.851 -2.415 -9.732 1.00 0.00 C ATOM 446 CD PRO A 25 11.611 -1.993 -10.527 1.00 0.00 C ATOM 0 HA PRO A 25 11.643 -5.283 -10.922 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.545 -4.362 -9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.704 -4.015 -10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.705 -2.240 -8.666 1.00 0.00 H new ATOM 0 HG3 PRO A 25 13.722 -1.833 -10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.980 -1.314 -9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.883 -1.474 -11.446 1.00 0.00 H new ATOM 454 N HIS A 26 10.997 -6.213 -8.758 1.00 0.00 N ATOM 455 CA HIS A 26 10.428 -6.766 -7.499 1.00 0.00 C ATOM 456 C HIS A 26 11.583 -7.132 -6.564 1.00 0.00 C ATOM 457 O HIS A 26 11.499 -8.066 -5.792 1.00 0.00 O ATOM 458 CB HIS A 26 9.619 -8.027 -7.814 1.00 0.00 C ATOM 459 CG HIS A 26 8.551 -7.710 -8.818 1.00 0.00 C ATOM 460 ND1 HIS A 26 7.513 -6.830 -8.551 1.00 0.00 N ATOM 461 CD2 HIS A 26 8.349 -8.152 -10.093 1.00 0.00 C ATOM 462 CE1 HIS A 26 6.740 -6.769 -9.649 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.207 -7.555 -10.618 1.00 0.00 N ATOM 0 H HIS A 26 11.322 -6.909 -9.429 1.00 0.00 H new ATOM 0 HA HIS A 26 9.778 -6.028 -7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.277 -8.804 -8.203 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.168 -8.418 -6.902 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.979 -8.857 -10.615 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.852 -6.160 -9.735 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.811 -7.691 -11.548 1.00 0.00 H new ATOM 472 N LYS A 27 12.673 -6.416 -6.647 1.00 0.00 N ATOM 473 CA LYS A 27 13.846 -6.739 -5.783 1.00 0.00 C ATOM 474 C LYS A 27 13.429 -6.773 -4.312 1.00 0.00 C ATOM 475 O LYS A 27 13.743 -7.700 -3.593 1.00 0.00 O ATOM 476 CB LYS A 27 14.926 -5.675 -5.980 1.00 0.00 C ATOM 477 CG LYS A 27 16.174 -6.061 -5.184 1.00 0.00 C ATOM 478 CD LYS A 27 17.232 -4.965 -5.329 1.00 0.00 C ATOM 479 CE LYS A 27 18.534 -5.420 -4.668 1.00 0.00 C ATOM 480 NZ LYS A 27 19.211 -4.247 -4.046 1.00 0.00 N ATOM 0 H LYS A 27 12.802 -5.623 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 27 14.234 -7.719 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.171 -5.582 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.558 -4.703 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.920 -6.199 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.568 -7.011 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.404 -4.748 -6.383 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.881 -4.042 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.325 -6.176 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.188 -5.881 -5.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.097 -4.555 -3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.423 -3.540 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.587 -3.826 -3.329 1.00 0.00 H new ATOM 494 N VAL A 28 12.723 -5.776 -3.855 1.00 0.00 N ATOM 495 CA VAL A 28 12.292 -5.767 -2.430 1.00 0.00 C ATOM 496 C VAL A 28 10.827 -6.189 -2.345 1.00 0.00 C ATOM 497 O VAL A 28 10.505 -7.261 -1.869 1.00 0.00 O ATOM 498 CB VAL A 28 12.452 -4.361 -1.856 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.902 -4.451 -0.398 1.00 0.00 C ATOM 500 CG2 VAL A 28 13.501 -3.596 -2.667 1.00 0.00 C ATOM 0 H VAL A 28 12.427 -4.970 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 28 12.907 -6.462 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 28 11.497 -3.837 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.016 -3.447 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.155 -4.995 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.856 -4.975 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.616 -2.592 -2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.455 -4.121 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.180 -3.530 -3.707 1.00 0.00 H new ATOM 510 N GLY A 29 9.937 -5.355 -2.810 1.00 0.00 N ATOM 511 CA GLY A 29 8.489 -5.700 -2.767 1.00 0.00 C ATOM 512 C GLY A 29 7.992 -5.956 -4.191 1.00 0.00 C ATOM 513 O GLY A 29 8.586 -5.511 -5.151 1.00 0.00 O ATOM 0 H GLY A 29 10.152 -4.446 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.331 -6.584 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.922 -4.888 -2.311 1.00 0.00 H new ATOM 517 N PRO A 30 6.911 -6.672 -4.321 1.00 0.00 N ATOM 518 CA PRO A 30 6.317 -7.003 -5.648 1.00 0.00 C ATOM 519 C PRO A 30 5.922 -5.759 -6.438 1.00 0.00 C ATOM 520 O PRO A 30 5.370 -5.849 -7.514 1.00 0.00 O ATOM 521 CB PRO A 30 5.087 -7.855 -5.319 1.00 0.00 C ATOM 522 CG PRO A 30 4.817 -7.656 -3.863 1.00 0.00 C ATOM 523 CD PRO A 30 6.136 -7.247 -3.214 1.00 0.00 C ATOM 0 HA PRO A 30 7.034 -7.523 -6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.230 -7.549 -5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.272 -8.906 -5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.059 -6.887 -3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.434 -8.572 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.980 -6.521 -2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.646 -8.103 -2.772 1.00 0.00 H new ATOM 531 N ASN A 31 6.214 -4.602 -5.919 1.00 0.00 N ATOM 532 CA ASN A 31 5.875 -3.353 -6.649 1.00 0.00 C ATOM 533 C ASN A 31 4.355 -3.232 -6.811 1.00 0.00 C ATOM 534 O ASN A 31 3.799 -3.624 -7.818 1.00 0.00 O ATOM 535 CB ASN A 31 6.537 -3.376 -8.031 1.00 0.00 C ATOM 536 CG ASN A 31 7.962 -3.923 -7.911 1.00 0.00 C ATOM 537 OD1 ASN A 31 8.414 -4.660 -8.764 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.695 -3.589 -6.884 1.00 0.00 N ATOM 0 H ASN A 31 6.674 -4.467 -5.019 1.00 0.00 H new ATOM 0 HA ASN A 31 6.240 -2.498 -6.081 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.955 -3.996 -8.713 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.557 -2.371 -8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.646 -3.947 -6.798 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.317 -2.970 -6.167 1.00 0.00 H new ATOM 545 N LEU A 32 3.678 -2.696 -5.828 1.00 0.00 N ATOM 546 CA LEU A 32 2.196 -2.548 -5.927 1.00 0.00 C ATOM 547 C LEU A 32 1.839 -1.707 -7.156 1.00 0.00 C ATOM 548 O LEU A 32 2.267 -1.977 -8.259 1.00 0.00 O ATOM 549 CB LEU A 32 1.649 -1.834 -4.682 1.00 0.00 C ATOM 550 CG LEU A 32 1.986 -2.604 -3.389 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.707 -4.098 -3.570 1.00 0.00 C ATOM 552 CD2 LEU A 32 3.455 -2.403 -3.006 1.00 0.00 C ATOM 0 H LEU A 32 4.089 -2.354 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 32 1.757 -3.543 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.066 -0.829 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.568 -1.726 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 32 1.355 -2.214 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.950 -4.628 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.653 -4.245 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.319 -4.486 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.671 -2.955 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.094 -2.769 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.647 -1.342 -2.844 1.00 0.00 H new ATOM 564 N HIS A 33 1.052 -0.681 -6.960 1.00 0.00 N ATOM 565 CA HIS A 33 0.652 0.199 -8.093 1.00 0.00 C ATOM 566 C HIS A 33 -0.483 -0.448 -8.893 1.00 0.00 C ATOM 567 O HIS A 33 -0.253 -1.231 -9.793 1.00 0.00 O ATOM 568 CB HIS A 33 1.851 0.435 -9.014 1.00 0.00 C ATOM 569 CG HIS A 33 1.725 1.790 -9.655 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.455 1.947 -11.007 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.825 3.061 -9.142 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.403 3.269 -11.260 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.620 3.987 -10.157 1.00 0.00 N ATOM 0 H HIS A 33 0.667 -0.415 -6.054 1.00 0.00 H new ATOM 0 HA HIS A 33 0.307 1.151 -7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.779 0.374 -8.445 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.894 -0.340 -9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.031 3.302 -8.110 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.210 3.694 -12.234 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.633 5.004 -10.076 1.00 0.00 H new ATOM 582 N GLY A 34 -1.707 -0.108 -8.586 1.00 0.00 N ATOM 583 CA GLY A 34 -2.855 -0.683 -9.344 1.00 0.00 C ATOM 584 C GLY A 34 -3.476 -1.861 -8.585 1.00 0.00 C ATOM 585 O GLY A 34 -4.413 -2.476 -9.053 1.00 0.00 O ATOM 0 H GLY A 34 -1.961 0.543 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.609 0.087 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.518 -1.015 -10.326 1.00 0.00 H new ATOM 589 N ILE A 35 -2.976 -2.187 -7.424 1.00 0.00 N ATOM 590 CA ILE A 35 -3.569 -3.330 -6.673 1.00 0.00 C ATOM 591 C ILE A 35 -4.896 -2.908 -6.043 1.00 0.00 C ATOM 592 O ILE A 35 -5.663 -3.730 -5.590 1.00 0.00 O ATOM 593 CB ILE A 35 -2.606 -3.808 -5.578 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.486 -2.755 -4.465 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.228 -4.052 -6.193 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.658 -3.330 -3.316 1.00 0.00 C ATOM 0 H ILE A 35 -2.193 -1.719 -6.968 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.745 -4.149 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.994 -4.731 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.015 -1.852 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.476 -2.471 -4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.539 -4.392 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.306 -4.813 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.855 -3.125 -6.629 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.570 -2.587 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.148 -4.221 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.664 -3.593 -3.679 1.00 0.00 H new ATOM 608 N PHE A 36 -5.170 -1.635 -6.002 1.00 0.00 N ATOM 609 CA PHE A 36 -6.443 -1.167 -5.386 1.00 0.00 C ATOM 610 C PHE A 36 -7.621 -1.965 -5.952 1.00 0.00 C ATOM 611 O PHE A 36 -8.606 -2.186 -5.278 1.00 0.00 O ATOM 612 CB PHE A 36 -6.641 0.321 -5.687 1.00 0.00 C ATOM 613 CG PHE A 36 -5.847 1.154 -4.705 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.468 0.952 -4.557 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.494 2.137 -3.944 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.740 1.731 -3.650 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.765 2.916 -3.038 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.387 2.714 -2.891 1.00 0.00 C ATOM 0 H PHE A 36 -4.568 -0.898 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.395 -1.317 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.321 0.541 -6.706 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.699 0.577 -5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.967 0.195 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.557 2.294 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.678 1.574 -3.535 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.265 3.673 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.824 3.316 -2.193 1.00 0.00 H new ATOM 628 N GLY A 37 -7.533 -2.393 -7.183 1.00 0.00 N ATOM 629 CA GLY A 37 -8.657 -3.172 -7.787 1.00 0.00 C ATOM 630 C GLY A 37 -8.243 -4.634 -7.983 1.00 0.00 C ATOM 631 O GLY A 37 -8.648 -5.276 -8.931 1.00 0.00 O ATOM 0 H GLY A 37 -6.733 -2.238 -7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.534 -3.118 -7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.939 -2.735 -8.745 1.00 0.00 H new ATOM 635 N ARG A 38 -7.436 -5.165 -7.102 1.00 0.00 N ATOM 636 CA ARG A 38 -7.002 -6.586 -7.254 1.00 0.00 C ATOM 637 C ARG A 38 -7.066 -7.308 -5.910 1.00 0.00 C ATOM 638 O ARG A 38 -7.222 -6.702 -4.868 1.00 0.00 O ATOM 639 CB ARG A 38 -5.564 -6.636 -7.774 1.00 0.00 C ATOM 640 CG ARG A 38 -5.490 -6.043 -9.184 1.00 0.00 C ATOM 641 CD ARG A 38 -6.037 -7.048 -10.203 1.00 0.00 C ATOM 642 NE ARG A 38 -5.693 -6.593 -11.580 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.406 -6.991 -12.597 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.422 -7.790 -12.409 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.104 -6.592 -13.802 1.00 0.00 N ATOM 0 H ARG A 38 -7.060 -4.679 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.671 -7.077 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.908 -6.081 -7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.210 -7.667 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.064 -5.118 -9.229 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.458 -5.790 -9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.615 -8.036 -10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.118 -7.138 -10.097 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.899 -5.970 -11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.658 -8.102 -11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.980 -8.101 -13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.310 -5.969 -13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.662 -6.903 -14.597 1.00 0.00 H new ATOM 659 N HIS A 39 -6.935 -8.607 -5.933 1.00 0.00 N ATOM 660 CA HIS A 39 -6.973 -9.391 -4.669 1.00 0.00 C ATOM 661 C HIS A 39 -5.559 -9.515 -4.118 1.00 0.00 C ATOM 662 O HIS A 39 -4.599 -9.591 -4.858 1.00 0.00 O ATOM 663 CB HIS A 39 -7.519 -10.789 -4.951 1.00 0.00 C ATOM 664 CG HIS A 39 -9.020 -10.746 -5.025 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.685 -9.908 -5.903 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.997 -11.443 -4.358 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.004 -10.120 -5.751 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.246 -11.046 -4.822 1.00 0.00 N ATOM 0 H HIS A 39 -6.803 -9.160 -6.779 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.614 -8.886 -3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.111 -11.166 -5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.204 -11.477 -4.166 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.822 -12.184 -3.592 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.771 -9.605 -6.311 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.156 -11.390 -4.516 1.00 0.00 H new ATOM 677 N SER A 40 -5.418 -9.541 -2.825 1.00 0.00 N ATOM 678 CA SER A 40 -4.060 -9.665 -2.243 1.00 0.00 C ATOM 679 C SER A 40 -3.402 -10.928 -2.785 1.00 0.00 C ATOM 680 O SER A 40 -3.996 -11.987 -2.817 1.00 0.00 O ATOM 681 CB SER A 40 -4.158 -9.764 -0.722 1.00 0.00 C ATOM 682 OG SER A 40 -3.191 -8.904 -0.133 1.00 0.00 O ATOM 0 H SER A 40 -6.181 -9.482 -2.150 1.00 0.00 H new ATOM 0 HA SER A 40 -3.468 -8.790 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.159 -9.486 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.991 -10.792 -0.401 1.00 0.00 H new ATOM 0 HG SER A 40 -3.531 -7.985 -0.128 1.00 0.00 H new ATOM 688 N GLY A 41 -2.176 -10.823 -3.206 1.00 0.00 N ATOM 689 CA GLY A 41 -1.466 -12.017 -3.740 1.00 0.00 C ATOM 690 C GLY A 41 -1.311 -11.911 -5.259 1.00 0.00 C ATOM 691 O GLY A 41 -0.660 -12.731 -5.876 1.00 0.00 O ATOM 0 H GLY A 41 -1.632 -9.960 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.485 -12.103 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.020 -12.921 -3.487 1.00 0.00 H new ATOM 695 N GLN A 42 -1.894 -10.916 -5.873 1.00 0.00 N ATOM 696 CA GLN A 42 -1.756 -10.787 -7.352 1.00 0.00 C ATOM 697 C GLN A 42 -0.677 -9.754 -7.673 1.00 0.00 C ATOM 698 O GLN A 42 -0.849 -8.571 -7.453 1.00 0.00 O ATOM 699 CB GLN A 42 -3.092 -10.348 -7.950 1.00 0.00 C ATOM 700 CG GLN A 42 -4.132 -11.434 -7.680 1.00 0.00 C ATOM 701 CD GLN A 42 -5.491 -10.991 -8.224 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.697 -9.827 -8.503 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.436 -11.877 -8.387 1.00 0.00 N ATOM 0 H GLN A 42 -2.454 -10.194 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.470 -11.748 -7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.410 -9.403 -7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.989 -10.182 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.827 -12.368 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.203 -11.626 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.264 -12.855 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.346 -11.591 -8.748 1.00 0.00 H new ATOM 712 N ALA A 43 0.441 -10.195 -8.191 1.00 0.00 N ATOM 713 CA ALA A 43 1.543 -9.252 -8.522 1.00 0.00 C ATOM 714 C ALA A 43 1.720 -9.163 -10.037 1.00 0.00 C ATOM 715 O ALA A 43 1.287 -10.022 -10.779 1.00 0.00 O ATOM 716 CB ALA A 43 2.843 -9.744 -7.893 1.00 0.00 C ATOM 0 H ALA A 43 0.636 -11.174 -8.399 1.00 0.00 H new ATOM 0 HA ALA A 43 1.294 -8.266 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.650 -9.052 -8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.726 -9.798 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.084 -10.733 -8.282 1.00 0.00 H new ATOM 722 N GLU A 44 2.354 -8.121 -10.496 1.00 0.00 N ATOM 723 CA GLU A 44 2.568 -7.956 -11.959 1.00 0.00 C ATOM 724 C GLU A 44 3.713 -8.857 -12.425 1.00 0.00 C ATOM 725 O GLU A 44 3.703 -9.363 -13.530 1.00 0.00 O ATOM 726 CB GLU A 44 2.914 -6.496 -12.260 1.00 0.00 C ATOM 727 CG GLU A 44 1.717 -5.607 -11.919 1.00 0.00 C ATOM 728 CD GLU A 44 2.036 -4.155 -12.283 1.00 0.00 C ATOM 729 OE1 GLU A 44 3.180 -3.885 -12.607 1.00 0.00 O ATOM 730 OE2 GLU A 44 1.130 -3.340 -12.231 1.00 0.00 O ATOM 0 H GLU A 44 2.735 -7.373 -9.917 1.00 0.00 H new ATOM 0 HA GLU A 44 1.657 -8.235 -12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.784 -6.190 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.177 -6.383 -13.312 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.835 -5.943 -12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.485 -5.684 -10.857 1.00 0.00 H new ATOM 737 N GLY A 45 4.706 -9.049 -11.596 1.00 0.00 N ATOM 738 CA GLY A 45 5.859 -9.902 -11.997 1.00 0.00 C ATOM 739 C GLY A 45 6.152 -10.947 -10.920 1.00 0.00 C ATOM 740 O GLY A 45 6.315 -12.115 -11.214 1.00 0.00 O ATOM 0 H GLY A 45 4.766 -8.651 -10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.641 -10.397 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.740 -9.281 -12.158 1.00 0.00 H new ATOM 744 N TYR A 46 6.241 -10.539 -9.681 1.00 0.00 N ATOM 745 CA TYR A 46 6.548 -11.517 -8.597 1.00 0.00 C ATOM 746 C TYR A 46 5.354 -11.692 -7.672 1.00 0.00 C ATOM 747 O TYR A 46 4.955 -10.784 -6.973 1.00 0.00 O ATOM 748 CB TYR A 46 7.742 -11.016 -7.785 1.00 0.00 C ATOM 749 CG TYR A 46 7.676 -11.575 -6.382 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.770 -12.954 -6.168 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.521 -10.710 -5.292 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.713 -13.468 -4.866 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.463 -11.220 -3.992 1.00 0.00 C ATOM 754 CZ TYR A 46 7.560 -12.600 -3.777 1.00 0.00 C ATOM 755 OH TYR A 46 7.504 -13.105 -2.495 1.00 0.00 O ATOM 0 H TYR A 46 6.115 -9.574 -9.374 1.00 0.00 H new ATOM 0 HA TYR A 46 6.780 -12.479 -9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.673 -11.320 -8.264 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.741 -9.926 -7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.887 -13.623 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.446 -9.645 -5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.787 -14.533 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.343 -10.550 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 46 7.397 -12.368 -1.858 1.00 0.00 H new ATOM 765 N SER A 47 4.795 -12.870 -7.643 1.00 0.00 N ATOM 766 CA SER A 47 3.642 -13.112 -6.745 1.00 0.00 C ATOM 767 C SER A 47 4.093 -12.862 -5.309 1.00 0.00 C ATOM 768 O SER A 47 5.216 -13.130 -4.945 1.00 0.00 O ATOM 769 CB SER A 47 3.168 -14.558 -6.894 1.00 0.00 C ATOM 770 OG SER A 47 2.918 -14.830 -8.266 1.00 0.00 O ATOM 0 H SER A 47 5.089 -13.671 -8.202 1.00 0.00 H new ATOM 0 HA SER A 47 2.819 -12.445 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.923 -15.242 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.263 -14.718 -6.309 1.00 0.00 H new ATOM 0 HG SER A 47 2.616 -15.757 -8.366 1.00 0.00 H new ATOM 776 N TYR A 48 3.229 -12.343 -4.498 1.00 0.00 N ATOM 777 CA TYR A 48 3.605 -12.060 -3.085 1.00 0.00 C ATOM 778 C TYR A 48 4.125 -13.332 -2.411 1.00 0.00 C ATOM 779 O TYR A 48 4.233 -14.375 -3.025 1.00 0.00 O ATOM 780 CB TYR A 48 2.380 -11.553 -2.331 1.00 0.00 C ATOM 781 CG TYR A 48 1.970 -10.214 -2.889 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.270 -10.137 -4.099 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.303 -9.042 -2.200 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.902 -8.892 -4.616 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.937 -7.796 -2.718 1.00 0.00 C ATOM 786 CZ TYR A 48 1.236 -7.722 -3.928 1.00 0.00 C ATOM 787 OH TYR A 48 0.873 -6.494 -4.441 1.00 0.00 O ATOM 0 H TYR A 48 2.271 -12.099 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 48 4.390 -11.304 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.560 -12.265 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.604 -11.464 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.014 -11.040 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.843 -9.100 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.359 -8.834 -5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.194 -6.892 -2.186 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.069 -6.319 -4.234 1.00 0.00 H new ATOM 797 N THR A 49 4.450 -13.247 -1.151 1.00 0.00 N ATOM 798 CA THR A 49 4.964 -14.443 -0.425 1.00 0.00 C ATOM 799 C THR A 49 3.905 -15.546 -0.454 1.00 0.00 C ATOM 800 O THR A 49 2.719 -15.281 -0.446 1.00 0.00 O ATOM 801 CB THR A 49 5.266 -14.064 1.027 1.00 0.00 C ATOM 802 OG1 THR A 49 6.109 -12.921 1.050 1.00 0.00 O ATOM 803 CG2 THR A 49 5.966 -15.230 1.728 1.00 0.00 C ATOM 0 H THR A 49 4.382 -12.398 -0.590 1.00 0.00 H new ATOM 0 HA THR A 49 5.875 -14.800 -0.905 1.00 0.00 H new ATOM 0 HB THR A 49 4.333 -13.840 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.659 -12.192 1.526 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.180 -14.958 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.319 -16.107 1.710 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.899 -15.457 1.212 1.00 0.00 H new ATOM 811 N ASP A 50 4.321 -16.782 -0.497 1.00 0.00 N ATOM 812 CA ASP A 50 3.339 -17.897 -0.536 1.00 0.00 C ATOM 813 C ASP A 50 2.311 -17.716 0.582 1.00 0.00 C ATOM 814 O ASP A 50 1.137 -17.974 0.403 1.00 0.00 O ATOM 815 CB ASP A 50 4.077 -19.221 -0.342 1.00 0.00 C ATOM 816 CG ASP A 50 4.952 -19.501 -1.566 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.790 -18.808 -2.557 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.769 -20.404 -1.492 1.00 0.00 O ATOM 0 H ASP A 50 5.301 -17.066 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 50 2.826 -17.899 -1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.693 -19.178 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.362 -20.031 -0.200 1.00 0.00 H new ATOM 823 N ALA A 51 2.733 -17.267 1.733 1.00 0.00 N ATOM 824 CA ALA A 51 1.763 -17.068 2.846 1.00 0.00 C ATOM 825 C ALA A 51 0.756 -15.991 2.440 1.00 0.00 C ATOM 826 O ALA A 51 -0.441 -16.161 2.567 1.00 0.00 O ATOM 827 CB ALA A 51 2.511 -16.625 4.104 1.00 0.00 C ATOM 0 H ALA A 51 3.701 -17.031 1.949 1.00 0.00 H new ATOM 0 HA ALA A 51 1.240 -18.002 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.800 -16.480 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.234 -17.390 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.033 -15.689 3.906 1.00 0.00 H new ATOM 833 N ASN A 52 1.236 -14.889 1.935 1.00 0.00 N ATOM 834 CA ASN A 52 0.314 -13.802 1.499 1.00 0.00 C ATOM 835 C ASN A 52 -0.608 -14.329 0.402 1.00 0.00 C ATOM 836 O ASN A 52 -1.794 -14.065 0.389 1.00 0.00 O ATOM 837 CB ASN A 52 1.133 -12.635 0.947 1.00 0.00 C ATOM 838 CG ASN A 52 0.188 -11.559 0.414 1.00 0.00 C ATOM 839 OD1 ASN A 52 0.682 -10.501 -0.168 1.00 0.00 O flip ATOM 840 ND2 ASN A 52 -1.015 -11.681 0.528 1.00 0.00 N flip ATOM 0 H ASN A 52 2.229 -14.693 1.805 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.280 -13.466 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.769 -12.221 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.792 -12.983 0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.403 -12.508 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.637 -10.957 0.169 1.00 0.00 H new ATOM 847 N ILE A 53 -0.067 -15.071 -0.523 1.00 0.00 N ATOM 848 CA ILE A 53 -0.902 -15.618 -1.627 1.00 0.00 C ATOM 849 C ILE A 53 -1.977 -16.536 -1.052 1.00 0.00 C ATOM 850 O ILE A 53 -3.093 -16.573 -1.530 1.00 0.00 O ATOM 851 CB ILE A 53 -0.019 -16.396 -2.595 1.00 0.00 C ATOM 852 CG1 ILE A 53 1.016 -15.447 -3.204 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.882 -16.996 -3.706 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.973 -16.243 -4.093 1.00 0.00 C ATOM 0 H ILE A 53 0.921 -15.323 -0.562 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.383 -14.797 -2.160 1.00 0.00 H new ATOM 0 HB ILE A 53 0.490 -17.200 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.517 -14.674 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.571 -14.941 -2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.249 -17.552 -4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.621 -17.668 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.391 -16.196 -4.243 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.711 -15.569 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.481 -17.000 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.410 -16.728 -4.891 1.00 0.00 H new ATOM 866 N LYS A 54 -1.662 -17.272 -0.020 1.00 0.00 N ATOM 867 CA LYS A 54 -2.687 -18.169 0.577 1.00 0.00 C ATOM 868 C LYS A 54 -3.909 -17.327 0.932 1.00 0.00 C ATOM 869 O LYS A 54 -5.037 -17.713 0.702 1.00 0.00 O ATOM 870 CB LYS A 54 -2.127 -18.818 1.839 1.00 0.00 C ATOM 871 CG LYS A 54 -3.172 -19.761 2.432 1.00 0.00 C ATOM 872 CD LYS A 54 -2.582 -20.482 3.647 1.00 0.00 C ATOM 873 CE LYS A 54 -2.302 -19.472 4.762 1.00 0.00 C ATOM 874 NZ LYS A 54 -2.730 -20.044 6.069 1.00 0.00 N ATOM 0 H LYS A 54 -0.747 -17.290 0.431 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.961 -18.952 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.216 -19.369 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.858 -18.052 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.059 -19.199 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.488 -20.487 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.275 -21.245 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.661 -20.993 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.240 -19.230 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.836 -18.542 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.540 -19.358 6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.748 -20.254 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.201 -20.920 6.254 1.00 0.00 H new ATOM 888 N LYS A 55 -3.682 -16.164 1.472 1.00 0.00 N ATOM 889 CA LYS A 55 -4.808 -15.267 1.828 1.00 0.00 C ATOM 890 C LYS A 55 -4.984 -14.240 0.707 1.00 0.00 C ATOM 891 O LYS A 55 -4.054 -13.550 0.338 1.00 0.00 O ATOM 892 CB LYS A 55 -4.475 -14.551 3.136 1.00 0.00 C ATOM 893 CG LYS A 55 -4.447 -15.563 4.282 1.00 0.00 C ATOM 894 CD LYS A 55 -4.223 -14.829 5.606 1.00 0.00 C ATOM 895 CE LYS A 55 -4.076 -15.848 6.736 1.00 0.00 C ATOM 896 NZ LYS A 55 -3.802 -15.134 8.016 1.00 0.00 N ATOM 0 H LYS A 55 -2.755 -15.795 1.683 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.728 -15.838 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.509 -14.053 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.216 -13.778 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.385 -16.117 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.653 -16.291 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.329 -14.208 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.060 -14.162 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.986 -16.441 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.264 -16.541 6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.651 -15.828 8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.950 -14.546 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.613 -14.529 8.256 1.00 0.00 H new ATOM 910 N ASN A 56 -6.163 -14.134 0.157 1.00 0.00 N ATOM 911 CA ASN A 56 -6.381 -13.152 -0.945 1.00 0.00 C ATOM 912 C ASN A 56 -7.710 -12.424 -0.738 1.00 0.00 C ATOM 913 O ASN A 56 -8.756 -13.033 -0.638 1.00 0.00 O ATOM 914 CB ASN A 56 -6.406 -13.891 -2.283 1.00 0.00 C ATOM 915 CG ASN A 56 -6.924 -15.316 -2.077 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.532 -15.614 -1.068 1.00 0.00 O ATOM 917 ND2 ASN A 56 -6.709 -16.214 -2.998 1.00 0.00 N ATOM 0 H ASN A 56 -6.982 -14.682 0.421 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.571 -12.423 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.044 -13.361 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.405 -13.917 -2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.051 -17.166 -2.871 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.199 -15.964 -3.845 1.00 0.00 H new ATOM 924 N VAL A 57 -7.671 -11.121 -0.672 1.00 0.00 N ATOM 925 CA VAL A 57 -8.923 -10.342 -0.471 1.00 0.00 C ATOM 926 C VAL A 57 -8.973 -9.175 -1.455 1.00 0.00 C ATOM 927 O VAL A 57 -7.978 -8.525 -1.712 1.00 0.00 O ATOM 928 CB VAL A 57 -8.956 -9.800 0.958 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.250 -9.016 1.182 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.890 -10.966 1.948 1.00 0.00 C ATOM 0 H VAL A 57 -6.822 -10.561 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.782 -10.992 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.102 -9.140 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.270 -8.631 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.298 -8.184 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.105 -9.673 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.913 -10.580 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.743 -11.626 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.966 -11.524 1.792 1.00 0.00 H new ATOM 940 N LEU A 58 -10.125 -8.890 -1.998 1.00 0.00 N ATOM 941 CA LEU A 58 -10.225 -7.751 -2.949 1.00 0.00 C ATOM 942 C LEU A 58 -9.693 -6.503 -2.260 1.00 0.00 C ATOM 943 O LEU A 58 -9.861 -6.318 -1.071 1.00 0.00 O ATOM 944 CB LEU A 58 -11.682 -7.527 -3.350 1.00 0.00 C ATOM 945 CG LEU A 58 -11.784 -6.296 -4.258 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.994 -6.534 -5.546 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.253 -6.049 -4.606 1.00 0.00 C ATOM 0 H LEU A 58 -10.995 -9.394 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.645 -7.968 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.066 -8.406 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.297 -7.387 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.374 -5.430 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.070 -5.656 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.947 -6.716 -5.302 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.401 -7.400 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.332 -5.174 -5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.656 -6.920 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.820 -5.877 -3.691 1.00 0.00 H new ATOM 959 N TRP A 59 -9.044 -5.648 -2.993 1.00 0.00 N ATOM 960 CA TRP A 59 -8.492 -4.421 -2.379 1.00 0.00 C ATOM 961 C TRP A 59 -9.387 -3.221 -2.679 1.00 0.00 C ATOM 962 O TRP A 59 -10.007 -3.133 -3.720 1.00 0.00 O ATOM 963 CB TRP A 59 -7.092 -4.176 -2.930 1.00 0.00 C ATOM 964 CG TRP A 59 -6.112 -5.016 -2.179 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.305 -5.955 -2.727 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.832 -5.017 -0.750 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.533 -6.516 -1.725 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.826 -5.973 -0.490 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.347 -4.284 0.336 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.346 -6.194 0.799 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.867 -4.506 1.635 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.867 -5.460 1.866 1.00 0.00 C ATOM 0 H TRP A 59 -8.873 -5.749 -3.993 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.446 -4.551 -1.298 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.059 -4.420 -3.992 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.831 -3.122 -2.837 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.270 -6.222 -3.773 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.833 -7.242 -1.880 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.117 -3.546 0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.574 -6.930 0.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.270 -3.939 2.461 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.500 -5.627 2.868 1.00 0.00 H new ATOM 983 N ASP A 60 -9.454 -2.297 -1.763 1.00 0.00 N ATOM 984 CA ASP A 60 -10.298 -1.088 -1.964 1.00 0.00 C ATOM 985 C ASP A 60 -9.676 0.072 -1.187 1.00 0.00 C ATOM 986 O ASP A 60 -8.807 -0.121 -0.362 1.00 0.00 O ATOM 987 CB ASP A 60 -11.711 -1.357 -1.444 1.00 0.00 C ATOM 988 CG ASP A 60 -12.639 -0.218 -1.873 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.186 0.642 -2.610 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.787 -0.227 -1.459 1.00 0.00 O ATOM 0 H ASP A 60 -8.955 -2.328 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.352 -0.841 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.079 -2.306 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.700 -1.442 -0.357 1.00 0.00 H new ATOM 995 N GLU A 61 -10.103 1.277 -1.442 1.00 0.00 N ATOM 996 CA GLU A 61 -9.517 2.432 -0.710 1.00 0.00 C ATOM 997 C GLU A 61 -9.672 2.208 0.794 1.00 0.00 C ATOM 998 O GLU A 61 -8.793 2.518 1.573 1.00 0.00 O ATOM 999 CB GLU A 61 -10.254 3.712 -1.111 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.061 3.966 -2.606 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.761 5.268 -2.996 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.436 5.832 -2.150 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.611 5.679 -4.134 1.00 0.00 O ATOM 0 H GLU A 61 -10.827 1.511 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.460 2.526 -0.959 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.316 3.620 -0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.876 4.557 -0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.998 4.027 -2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.468 3.135 -3.182 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.784 1.669 1.208 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.996 1.421 2.661 1.00 0.00 C ATOM 1012 C ASN A 62 -10.216 0.177 3.100 1.00 0.00 C ATOM 1013 O ASN A 62 -9.586 0.164 4.139 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.487 1.205 2.928 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.254 2.489 2.607 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.673 3.552 2.518 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.546 2.435 2.426 1.00 0.00 N ATOM 0 H ASN A 62 -11.556 1.389 0.603 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.642 2.283 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.861 0.383 2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.644 0.926 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.067 3.285 2.210 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.035 1.543 2.501 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.262 -0.873 2.323 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.535 -2.115 2.704 1.00 0.00 C ATOM 1026 C ASN A 63 -8.029 -1.852 2.751 1.00 0.00 C ATOM 1027 O ASN A 63 -7.345 -2.261 3.671 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.829 -3.203 1.671 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.316 -3.563 1.718 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -11.997 -3.257 2.676 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -11.850 -4.203 0.715 1.00 0.00 N ATOM 0 H ASN A 63 -10.772 -0.922 1.441 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.868 -2.438 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.560 -2.855 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.223 -4.086 1.875 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.840 -4.447 0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.277 -4.460 -0.089 1.00 0.00 H new ATOM 1038 N MET A 64 -7.504 -1.172 1.773 1.00 0.00 N ATOM 1039 CA MET A 64 -6.045 -0.887 1.773 1.00 0.00 C ATOM 1040 C MET A 64 -5.696 -0.015 2.976 1.00 0.00 C ATOM 1041 O MET A 64 -4.645 -0.153 3.568 1.00 0.00 O ATOM 1042 CB MET A 64 -5.657 -0.163 0.482 1.00 0.00 C ATOM 1043 CG MET A 64 -5.758 -1.127 -0.701 1.00 0.00 C ATOM 1044 SD MET A 64 -4.775 -0.488 -2.078 1.00 0.00 S ATOM 1045 CE MET A 64 -3.141 -0.843 -1.374 1.00 0.00 C ATOM 0 H MET A 64 -8.021 -0.802 0.975 1.00 0.00 H new ATOM 0 HA MET A 64 -5.495 -1.826 1.834 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.313 0.693 0.323 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.641 0.224 0.562 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.400 -2.115 -0.411 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.799 -1.241 -1.004 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.379 -0.725 -2.145 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.940 -0.152 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.121 -1.866 -0.998 1.00 0.00 H new ATOM 1055 N SER A 65 -6.568 0.880 3.345 1.00 0.00 N ATOM 1056 CA SER A 65 -6.278 1.758 4.512 1.00 0.00 C ATOM 1057 C SER A 65 -5.961 0.888 5.730 1.00 0.00 C ATOM 1058 O SER A 65 -5.078 1.190 6.510 1.00 0.00 O ATOM 1059 CB SER A 65 -7.501 2.627 4.805 1.00 0.00 C ATOM 1060 OG SER A 65 -7.879 3.319 3.623 1.00 0.00 O ATOM 0 H SER A 65 -7.467 1.042 2.891 1.00 0.00 H new ATOM 0 HA SER A 65 -5.424 2.398 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.326 2.007 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.275 3.338 5.600 1.00 0.00 H new ATOM 0 HG SER A 65 -8.419 2.729 3.057 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.670 -0.193 5.898 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.404 -1.078 7.063 1.00 0.00 C ATOM 1068 C GLU A 66 -4.996 -1.665 6.945 1.00 0.00 C ATOM 1069 O GLU A 66 -4.288 -1.800 7.924 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.430 -2.212 7.078 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.830 -1.628 7.278 1.00 0.00 C ATOM 1072 CD GLU A 66 -8.913 -0.950 8.645 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -8.064 -1.230 9.477 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -9.823 -0.161 8.840 1.00 0.00 O ATOM 0 H GLU A 66 -7.421 -0.501 5.280 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.480 -0.503 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.387 -2.769 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.200 -2.915 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.050 -0.908 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.578 -2.418 7.207 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.582 -2.017 5.757 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.218 -2.597 5.592 1.00 0.00 C ATOM 1083 C TYR A 67 -2.161 -1.553 5.953 1.00 0.00 C ATOM 1084 O TYR A 67 -1.178 -1.850 6.599 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.008 -3.042 4.145 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.674 -3.743 4.039 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.584 -5.118 4.295 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.527 -3.018 3.697 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.346 -5.766 4.208 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.711 -3.667 3.609 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.802 -5.041 3.866 1.00 0.00 C ATOM 1092 OH TYR A 67 2.022 -5.680 3.780 1.00 0.00 O ATOM 0 H TYR A 67 -5.126 -1.929 4.899 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.123 -3.458 6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.811 -3.711 3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.036 -2.181 3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.469 -5.677 4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.596 -1.958 3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.276 -6.826 4.405 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.596 -3.108 3.343 1.00 0.00 H new ATOM 0 HH TYR A 67 2.743 -5.018 3.835 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.342 -0.332 5.534 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.332 0.710 5.853 1.00 0.00 C ATOM 1104 C LEU A 68 -1.085 0.745 7.361 1.00 0.00 C ATOM 1105 O LEU A 68 0.029 0.927 7.810 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.844 2.071 5.383 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.121 2.029 3.879 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.541 3.416 3.399 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.856 1.603 3.135 1.00 0.00 C ATOM 0 H LEU A 68 -3.142 -0.013 4.987 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.397 0.477 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.754 2.334 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.108 2.843 5.605 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.919 1.314 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.738 3.386 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.444 3.725 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.741 4.128 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.056 1.574 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.058 2.318 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.550 0.613 3.474 1.00 0.00 H new ATOM 1121 N THR A 69 -2.106 0.565 8.149 1.00 0.00 N ATOM 1122 CA THR A 69 -1.910 0.580 9.621 1.00 0.00 C ATOM 1123 C THR A 69 -0.855 -0.465 9.988 1.00 0.00 C ATOM 1124 O THR A 69 0.011 -0.231 10.809 1.00 0.00 O ATOM 1125 CB THR A 69 -3.234 0.241 10.305 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.253 1.101 9.812 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.088 0.432 11.808 1.00 0.00 C ATOM 0 H THR A 69 -3.065 0.409 7.837 1.00 0.00 H new ATOM 0 HA THR A 69 -1.578 1.565 9.948 1.00 0.00 H new ATOM 0 HB THR A 69 -3.501 -0.795 10.095 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.103 0.884 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.031 0.191 12.299 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.305 -0.226 12.184 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.824 1.468 12.019 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.917 -1.612 9.372 1.00 0.00 N ATOM 1136 CA ASN A 70 0.083 -2.679 9.660 1.00 0.00 C ATOM 1137 C ASN A 70 0.370 -3.444 8.369 1.00 0.00 C ATOM 1138 O ASN A 70 -0.530 -3.775 7.625 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.474 -3.642 10.708 1.00 0.00 C ATOM 1140 CG ASN A 70 0.675 -4.437 11.331 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.820 -4.043 11.245 1.00 0.00 O ATOM 1142 ND2 ASN A 70 0.415 -5.552 11.960 1.00 0.00 N ATOM 0 H ASN A 70 -1.622 -1.858 8.677 1.00 0.00 H new ATOM 0 HA ASN A 70 1.000 -2.230 10.041 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.007 -3.087 11.480 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.193 -4.320 10.249 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.174 -6.090 12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.547 -5.884 12.033 1.00 0.00 H new ATOM 1149 N HIS A 71 1.608 -3.729 8.092 1.00 0.00 N ATOM 1150 CA HIS A 71 1.931 -4.467 6.838 1.00 0.00 C ATOM 1151 C HIS A 71 1.272 -5.854 6.846 1.00 0.00 C ATOM 1152 O HIS A 71 1.693 -6.748 6.139 1.00 0.00 O ATOM 1153 CB HIS A 71 3.449 -4.624 6.709 1.00 0.00 C ATOM 1154 CG HIS A 71 3.966 -3.692 5.645 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.307 -3.900 4.330 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 4.188 -2.342 5.886 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 4.731 -2.700 3.770 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 4.642 -1.794 4.742 1.00 0.00 N flip ATOM 0 H HIS A 71 2.409 -3.485 8.675 1.00 0.00 H new ATOM 0 HA HIS A 71 1.547 -3.899 5.990 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.929 -4.405 7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.698 -5.655 6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.026 -1.826 6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.064 -2.536 2.756 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.887 -0.810 4.634 1.00 0.00 H new ATOM 1166 N ALA A 72 0.246 -6.048 7.633 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.421 -7.381 7.668 1.00 0.00 C ATOM 1168 C ALA A 72 -1.627 -7.331 8.610 1.00 0.00 C ATOM 1169 O ALA A 72 -1.951 -8.295 9.276 1.00 0.00 O ATOM 1170 CB ALA A 72 0.576 -8.422 8.172 1.00 0.00 C ATOM 0 H ALA A 72 -0.157 -5.343 8.250 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.760 -7.647 6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.097 -9.401 8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.435 -8.458 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.909 -8.151 9.174 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.290 -6.212 8.676 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.472 -6.093 9.581 1.00 0.00 C ATOM 1178 C LYS A 73 -4.522 -7.147 9.212 1.00 0.00 C ATOM 1179 O LYS A 73 -5.097 -7.783 10.073 1.00 0.00 O ATOM 1180 CB LYS A 73 -4.082 -4.694 9.435 1.00 0.00 C ATOM 1181 CG LYS A 73 -5.209 -4.497 10.457 1.00 0.00 C ATOM 1182 CD LYS A 73 -4.615 -4.154 11.829 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.738 -3.736 12.778 1.00 0.00 C ATOM 1184 NZ LYS A 73 -6.199 -2.363 12.429 1.00 0.00 N ATOM 0 H LYS A 73 -2.066 -5.372 8.143 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.153 -6.252 10.611 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.312 -3.937 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.470 -4.562 8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.874 -3.698 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.810 -5.403 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.084 -5.016 12.233 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.887 -3.348 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.568 -4.439 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.385 -3.762 13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.741 -1.966 13.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.375 -1.759 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.804 -2.404 11.584 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.782 -7.330 7.944 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.804 -8.337 7.527 1.00 0.00 C ATOM 1200 C TYR A 74 -5.127 -9.510 6.818 1.00 0.00 C ATOM 1201 O TYR A 74 -5.777 -10.445 6.394 1.00 0.00 O ATOM 1202 CB TYR A 74 -6.799 -7.681 6.567 1.00 0.00 C ATOM 1203 CG TYR A 74 -7.906 -7.023 7.353 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.639 -5.892 8.133 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -9.204 -7.547 7.301 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -8.670 -5.284 8.861 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -10.234 -6.940 8.028 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.967 -5.808 8.808 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.983 -5.210 9.524 1.00 0.00 O ATOM 0 H TYR A 74 -4.332 -6.827 7.179 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.324 -8.703 8.413 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.289 -6.942 5.949 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.214 -8.429 5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.638 -5.488 8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.410 -8.420 6.699 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.464 -4.411 9.463 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.235 -7.344 7.988 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.819 -5.699 9.375 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.832 -9.471 6.677 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.128 -10.588 5.988 1.00 0.00 C ATOM 1221 C ILE A 75 -1.853 -10.948 6.752 1.00 0.00 C ATOM 1222 O ILE A 75 -0.759 -10.668 6.308 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.765 -10.152 4.567 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -3.946 -9.391 3.956 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.458 -11.383 3.716 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -3.881 -9.482 2.431 1.00 0.00 C ATOM 0 H ILE A 75 -3.231 -8.716 7.008 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.781 -11.460 5.951 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.887 -9.506 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.886 -9.809 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.921 -8.347 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.200 -11.071 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.621 -11.928 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.334 -12.030 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.722 -8.940 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.947 -9.043 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.928 -10.528 2.127 1.00 0.00 H new ATOM 1238 N PRO A 76 -1.997 -11.568 7.891 1.00 0.00 N ATOM 1239 CA PRO A 76 -0.835 -11.975 8.733 1.00 0.00 C ATOM 1240 C PRO A 76 0.174 -12.810 7.945 1.00 0.00 C ATOM 1241 O PRO A 76 1.368 -12.715 8.150 1.00 0.00 O ATOM 1242 CB PRO A 76 -1.461 -12.806 9.858 1.00 0.00 C ATOM 1243 CG PRO A 76 -2.897 -12.398 9.910 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.279 -11.946 8.501 1.00 0.00 C ATOM 0 HA PRO A 76 -0.277 -11.113 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.364 -13.873 9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.965 -12.614 10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.524 -13.230 10.232 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.044 -11.591 10.628 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.766 -12.746 7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.973 -11.106 8.525 1.00 0.00 H new ATOM 1252 N GLY A 77 -0.293 -13.614 7.032 1.00 0.00 N ATOM 1253 CA GLY A 77 0.647 -14.432 6.221 1.00 0.00 C ATOM 1254 C GLY A 77 1.632 -13.489 5.533 1.00 0.00 C ATOM 1255 O GLY A 77 2.722 -13.869 5.155 1.00 0.00 O ATOM 0 H GLY A 77 -1.281 -13.739 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.180 -15.140 6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.101 -15.016 5.481 1.00 0.00 H new ATOM 1259 N THR A 78 1.242 -12.254 5.370 1.00 0.00 N ATOM 1260 CA THR A 78 2.132 -11.263 4.708 1.00 0.00 C ATOM 1261 C THR A 78 3.286 -10.896 5.644 1.00 0.00 C ATOM 1262 O THR A 78 3.138 -10.857 6.850 1.00 0.00 O ATOM 1263 CB THR A 78 1.324 -10.010 4.363 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.188 -10.381 3.595 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.190 -9.041 3.556 1.00 0.00 C ATOM 0 H THR A 78 0.338 -11.888 5.670 1.00 0.00 H new ATOM 0 HA THR A 78 2.541 -11.694 3.794 1.00 0.00 H new ATOM 0 HB THR A 78 1.002 -9.522 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.149 -9.598 3.111 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.610 -8.151 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.062 -8.756 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.515 -9.525 2.635 1.00 0.00 H new ATOM 1273 N LYS A 79 4.441 -10.640 5.093 1.00 0.00 N ATOM 1274 CA LYS A 79 5.621 -10.288 5.935 1.00 0.00 C ATOM 1275 C LYS A 79 5.432 -8.890 6.529 1.00 0.00 C ATOM 1276 O LYS A 79 4.652 -8.096 6.040 1.00 0.00 O ATOM 1277 CB LYS A 79 6.875 -10.282 5.061 1.00 0.00 C ATOM 1278 CG LYS A 79 7.021 -11.628 4.348 1.00 0.00 C ATOM 1279 CD LYS A 79 8.310 -11.624 3.523 1.00 0.00 C ATOM 1280 CE LYS A 79 8.337 -12.848 2.606 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.585 -13.625 2.850 1.00 0.00 N ATOM 0 H LYS A 79 4.620 -10.660 4.089 1.00 0.00 H new ATOM 0 HA LYS A 79 5.722 -11.019 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.814 -9.477 4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.755 -10.088 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.044 -12.438 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.162 -11.805 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.371 -10.712 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.177 -11.633 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.464 -13.474 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.289 -12.535 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.603 -14.457 2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.411 -13.026 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.612 -13.935 3.842 1.00 0.00 H new ATOM 1295 N MET A 80 6.153 -8.581 7.575 1.00 0.00 N ATOM 1296 CA MET A 80 6.036 -7.233 8.204 1.00 0.00 C ATOM 1297 C MET A 80 7.391 -6.527 8.127 1.00 0.00 C ATOM 1298 O MET A 80 8.428 -7.147 8.258 1.00 0.00 O ATOM 1299 CB MET A 80 5.628 -7.387 9.671 1.00 0.00 C ATOM 1300 CG MET A 80 4.231 -8.004 9.751 1.00 0.00 C ATOM 1301 SD MET A 80 3.701 -8.074 11.482 1.00 0.00 S ATOM 1302 CE MET A 80 2.149 -8.963 11.208 1.00 0.00 C ATOM 0 H MET A 80 6.821 -9.208 8.023 1.00 0.00 H new ATOM 0 HA MET A 80 5.282 -6.647 7.678 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.346 -8.018 10.195 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.637 -6.416 10.166 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.526 -7.412 9.167 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.239 -9.006 9.321 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.041 -9.746 11.958 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.313 -8.268 11.286 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.157 -9.411 10.214 1.00 0.00 H new ATOM 1312 N ALA A 81 7.401 -5.237 7.914 1.00 0.00 N ATOM 1313 CA ALA A 81 8.704 -4.518 7.829 1.00 0.00 C ATOM 1314 C ALA A 81 8.521 -3.034 8.163 1.00 0.00 C ATOM 1315 O ALA A 81 9.167 -2.507 9.047 1.00 0.00 O ATOM 1316 CB ALA A 81 9.265 -4.653 6.412 1.00 0.00 C ATOM 0 H ALA A 81 6.571 -4.656 7.796 1.00 0.00 H new ATOM 0 HA ALA A 81 9.396 -4.957 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.218 -4.128 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.414 -5.707 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.563 -4.220 5.700 1.00 0.00 H new ATOM 1322 N PHE A 82 7.665 -2.347 7.456 1.00 0.00 N ATOM 1323 CA PHE A 82 7.473 -0.894 7.734 1.00 0.00 C ATOM 1324 C PHE A 82 6.844 -0.692 9.116 1.00 0.00 C ATOM 1325 O PHE A 82 7.502 -0.296 10.057 1.00 0.00 O ATOM 1326 CB PHE A 82 6.546 -0.284 6.685 1.00 0.00 C ATOM 1327 CG PHE A 82 6.534 1.211 6.855 1.00 0.00 C ATOM 1328 CD1 PHE A 82 5.699 1.798 7.808 1.00 0.00 C ATOM 1329 CD2 PHE A 82 7.371 2.010 6.071 1.00 0.00 C ATOM 1330 CE1 PHE A 82 5.697 3.184 7.974 1.00 0.00 C ATOM 1331 CE2 PHE A 82 7.371 3.396 6.237 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.534 3.984 7.187 1.00 0.00 C ATOM 0 H PHE A 82 7.093 -2.726 6.702 1.00 0.00 H new ATOM 0 HA PHE A 82 8.448 -0.408 7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.886 -0.547 5.683 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.538 -0.684 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.055 1.180 8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.018 1.555 5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.050 3.639 8.709 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.018 4.013 5.631 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.532 5.056 7.315 1.00 0.00 H new ATOM 1342 N GLY A 83 5.570 -0.956 9.243 1.00 0.00 N ATOM 1343 CA GLY A 83 4.894 -0.770 10.560 1.00 0.00 C ATOM 1344 C GLY A 83 5.304 0.578 11.163 1.00 0.00 C ATOM 1345 O GLY A 83 6.133 0.642 12.049 1.00 0.00 O ATOM 0 H GLY A 83 4.969 -1.292 8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.812 -0.809 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.165 -1.580 11.237 1.00 0.00 H new ATOM 1349 N GLY A 84 4.738 1.659 10.690 1.00 0.00 N ATOM 1350 CA GLY A 84 5.115 2.991 11.246 1.00 0.00 C ATOM 1351 C GLY A 84 4.001 4.018 11.002 1.00 0.00 C ATOM 1352 O GLY A 84 3.922 5.024 11.678 1.00 0.00 O ATOM 0 H GLY A 84 4.037 1.677 9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.307 2.903 12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.040 3.335 10.784 1.00 0.00 H new ATOM 1356 N LEU A 85 3.147 3.789 10.039 1.00 0.00 N ATOM 1357 CA LEU A 85 2.061 4.768 9.764 1.00 0.00 C ATOM 1358 C LEU A 85 1.037 4.743 10.899 1.00 0.00 C ATOM 1359 O LEU A 85 -0.155 4.812 10.674 1.00 0.00 O ATOM 1360 CB LEU A 85 1.376 4.404 8.451 1.00 0.00 C ATOM 1361 CG LEU A 85 2.418 4.296 7.337 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.703 4.118 6.002 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.262 5.572 7.284 1.00 0.00 C ATOM 0 H LEU A 85 3.157 2.968 9.434 1.00 0.00 H new ATOM 0 HA LEU A 85 2.487 5.769 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.844 3.458 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.634 5.160 8.195 1.00 0.00 H new ATOM 0 HG LEU A 85 3.067 3.443 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.440 4.040 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.101 3.210 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.057 4.976 5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.001 5.486 6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.616 6.428 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.771 5.712 8.238 1.00 0.00 H new ATOM 1375 N LYS A 86 1.490 4.655 12.118 1.00 0.00 N ATOM 1376 CA LYS A 86 0.542 4.638 13.261 1.00 0.00 C ATOM 1377 C LYS A 86 -0.346 5.880 13.192 1.00 0.00 C ATOM 1378 O LYS A 86 -1.485 5.868 13.619 1.00 0.00 O ATOM 1379 CB LYS A 86 1.332 4.642 14.571 1.00 0.00 C ATOM 1380 CG LYS A 86 2.140 3.349 14.685 1.00 0.00 C ATOM 1381 CD LYS A 86 2.837 3.300 16.045 1.00 0.00 C ATOM 1382 CE LYS A 86 3.738 2.066 16.115 1.00 0.00 C ATOM 1383 NZ LYS A 86 5.077 2.397 15.550 1.00 0.00 N ATOM 0 H LYS A 86 2.476 4.594 12.370 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.079 3.743 13.216 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.999 5.504 14.603 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.652 4.734 15.418 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.484 2.486 14.570 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.878 3.297 13.884 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.428 4.203 16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.096 3.268 16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.839 1.734 17.148 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.290 1.243 15.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.691 1.559 15.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.972 2.694 14.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.504 3.170 16.099 1.00 0.00 H new ATOM 1397 N LYS A 87 0.165 6.955 12.654 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.650 8.199 12.556 1.00 0.00 C ATOM 1399 C LYS A 87 -1.603 8.090 11.362 1.00 0.00 C ATOM 1400 O LYS A 87 -1.211 7.726 10.271 1.00 0.00 O ATOM 1401 CB LYS A 87 0.276 9.401 12.360 1.00 0.00 C ATOM 1402 CG LYS A 87 1.168 9.565 13.592 1.00 0.00 C ATOM 1403 CD LYS A 87 2.013 10.833 13.444 1.00 0.00 C ATOM 1404 CE LYS A 87 2.997 10.929 14.612 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.387 11.031 14.084 1.00 0.00 N ATOM 0 H LYS A 87 1.111 7.025 12.279 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.226 8.330 13.472 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.889 9.260 11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.312 10.305 12.201 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.556 9.626 14.492 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.815 8.695 13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.555 10.813 12.499 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.369 11.712 13.424 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.765 11.799 15.226 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.904 10.052 15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.056 11.096 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.605 10.188 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.471 11.880 13.490 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.852 8.401 11.566 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.841 8.317 10.453 1.00 0.00 C ATOM 1421 C GLU A 88 -3.521 9.363 9.382 1.00 0.00 C ATOM 1422 O GLU A 88 -3.868 9.207 8.228 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.244 8.570 11.003 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.618 7.455 11.982 1.00 0.00 C ATOM 1425 CD GLU A 88 -7.048 7.672 12.480 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.602 8.720 12.194 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.565 6.785 13.141 1.00 0.00 O ATOM 0 H GLU A 88 -3.233 8.711 12.460 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.791 7.324 10.007 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.280 9.537 11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.965 8.608 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.535 6.484 11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.926 7.448 12.824 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.878 10.436 9.754 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.560 11.497 8.756 1.00 0.00 C ATOM 1436 C LYS A 89 -1.817 10.888 7.570 1.00 0.00 C ATOM 1437 O LYS A 89 -2.178 11.090 6.427 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.666 12.549 9.411 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.523 13.753 8.477 1.00 0.00 C ATOM 1440 CD LYS A 89 -0.578 14.778 9.106 1.00 0.00 C ATOM 1441 CE LYS A 89 -0.559 16.048 8.252 1.00 0.00 C ATOM 1442 NZ LYS A 89 0.842 16.542 8.129 1.00 0.00 N ATOM 0 H LYS A 89 -2.559 10.624 10.705 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.487 11.953 8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.094 12.863 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.685 12.125 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.137 13.432 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.499 14.205 8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.903 15.014 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.427 14.363 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.971 15.841 7.264 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.188 16.814 8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.856 17.405 7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.220 16.754 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.429 15.812 7.678 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.781 10.148 7.831 1.00 0.00 N ATOM 1457 CA ASP A 90 -0.015 9.528 6.716 1.00 0.00 C ATOM 1458 C ASP A 90 -0.923 8.568 5.951 1.00 0.00 C ATOM 1459 O ASP A 90 -0.935 8.536 4.737 1.00 0.00 O ATOM 1460 CB ASP A 90 1.169 8.749 7.285 1.00 0.00 C ATOM 1461 CG ASP A 90 2.136 9.716 7.970 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.013 10.908 7.741 1.00 0.00 O ATOM 1463 OD2 ASP A 90 2.984 9.248 8.712 1.00 0.00 O ATOM 0 H ASP A 90 -0.430 9.944 8.767 1.00 0.00 H new ATOM 0 HA ASP A 90 0.346 10.308 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.818 8.003 7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.681 8.211 6.487 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.682 7.782 6.659 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.591 6.811 5.990 1.00 0.00 C ATOM 1470 C ARG A 91 -3.551 7.543 5.050 1.00 0.00 C ATOM 1471 O ARG A 91 -3.814 7.100 3.950 1.00 0.00 O ATOM 1472 CB ARG A 91 -3.394 6.070 7.060 1.00 0.00 C ATOM 1473 CG ARG A 91 -4.300 5.032 6.400 1.00 0.00 C ATOM 1474 CD ARG A 91 -5.013 4.222 7.482 1.00 0.00 C ATOM 1475 NE ARG A 91 -6.019 5.083 8.166 1.00 0.00 N ATOM 1476 CZ ARG A 91 -6.773 4.584 9.107 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -6.646 3.332 9.451 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -7.654 5.339 9.705 1.00 0.00 N ATOM 0 H ARG A 91 -1.712 7.770 7.678 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.999 6.106 5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.718 5.582 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.993 6.777 7.633 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.030 5.525 5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.712 4.371 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.502 3.355 7.039 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.290 3.845 8.205 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.118 6.062 7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.957 2.742 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.236 2.943 10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.753 6.318 9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.244 4.950 10.441 1.00 0.00 H new ATOM 1492 N ASN A 92 -4.085 8.655 5.474 1.00 0.00 N ATOM 1493 CA ASN A 92 -5.034 9.401 4.603 1.00 0.00 C ATOM 1494 C ASN A 92 -4.290 10.030 3.424 1.00 0.00 C ATOM 1495 O ASN A 92 -4.638 9.830 2.277 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.704 10.504 5.419 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.599 9.882 6.491 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.831 8.689 6.489 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -7.124 10.650 7.406 1.00 0.00 N ATOM 0 H ASN A 92 -3.905 9.078 6.384 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.784 8.709 4.221 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.947 11.135 5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.295 11.145 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.730 10.249 8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.928 11.651 7.406 1.00 0.00 H new ATOM 1506 N ASP A 93 -3.273 10.794 3.699 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.509 11.447 2.599 1.00 0.00 C ATOM 1508 C ASP A 93 -1.846 10.380 1.726 1.00 0.00 C ATOM 1509 O ASP A 93 -1.789 10.497 0.517 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.437 12.359 3.200 1.00 0.00 C ATOM 1511 CG ASP A 93 -2.109 13.507 3.955 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -3.300 13.694 3.770 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -1.421 14.179 4.706 1.00 0.00 O ATOM 0 H ASP A 93 -2.936 10.996 4.640 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.189 12.038 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.798 11.790 3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.796 12.754 2.411 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.341 9.343 2.331 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.675 8.266 1.546 1.00 0.00 C ATOM 1520 C LEU A 94 -1.600 7.784 0.435 1.00 0.00 C ATOM 1521 O LEU A 94 -1.267 7.822 -0.732 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.362 7.098 2.479 1.00 0.00 C ATOM 1523 CG LEU A 94 0.212 5.928 1.680 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.418 6.399 0.869 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.651 4.829 2.648 1.00 0.00 C ATOM 0 H LEU A 94 -1.360 9.193 3.340 1.00 0.00 H new ATOM 0 HA LEU A 94 0.243 8.653 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.351 7.412 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.267 6.784 2.999 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.549 5.543 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.824 5.562 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.109 7.187 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.182 6.784 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.062 3.991 2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.412 5.221 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.208 4.491 3.228 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.757 7.321 0.799 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.714 6.822 -0.216 1.00 0.00 C ATOM 1539 C ILE A 95 -4.195 7.968 -1.103 1.00 0.00 C ATOM 1540 O ILE A 95 -4.513 7.775 -2.259 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.900 6.184 0.493 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.401 4.986 1.302 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.911 5.724 -0.549 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.560 4.379 2.101 1.00 0.00 C ATOM 0 H ILE A 95 -3.083 7.267 1.764 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.218 6.083 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.376 6.901 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.976 4.237 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.605 5.298 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.765 5.265 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.249 6.581 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.444 4.996 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.199 3.526 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.965 5.129 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.341 4.050 1.416 1.00 0.00 H new ATOM 1556 N THR A 96 -4.257 9.158 -0.579 1.00 0.00 N ATOM 1557 CA THR A 96 -4.722 10.298 -1.402 1.00 0.00 C ATOM 1558 C THR A 96 -3.934 10.322 -2.712 1.00 0.00 C ATOM 1559 O THR A 96 -4.481 10.534 -3.775 1.00 0.00 O ATOM 1560 CB THR A 96 -4.483 11.595 -0.630 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.049 11.483 0.667 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.139 12.755 -1.371 1.00 0.00 C ATOM 0 H THR A 96 -4.006 9.387 0.383 1.00 0.00 H new ATOM 0 HA THR A 96 -5.785 10.196 -1.622 1.00 0.00 H new ATOM 0 HB THR A 96 -3.412 11.776 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.567 10.799 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.969 13.681 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.707 12.841 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.211 12.574 -1.454 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.653 10.092 -2.642 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.826 10.086 -3.879 1.00 0.00 C ATOM 1572 C TYR A 97 -2.073 8.794 -4.664 1.00 0.00 C ATOM 1573 O TYR A 97 -2.241 8.810 -5.867 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.349 10.189 -3.499 1.00 0.00 C ATOM 1575 CG TYR A 97 0.501 10.029 -4.734 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.674 11.100 -5.618 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.111 8.800 -4.997 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.461 10.940 -6.764 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.897 8.637 -6.141 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.073 9.707 -7.027 1.00 0.00 C ATOM 1581 OH TYR A 97 2.848 9.548 -8.157 1.00 0.00 O ATOM 0 H TYR A 97 -2.142 9.907 -1.779 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.100 10.936 -4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.150 11.152 -3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.096 9.420 -2.769 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.200 12.049 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.975 7.974 -4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.597 11.767 -7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.368 7.686 -6.342 1.00 0.00 H new ATOM 0 HH TYR A 97 3.199 8.633 -8.187 1.00 0.00 H new ATOM 1591 N LEU A 98 -2.091 7.676 -3.991 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.319 6.383 -4.699 1.00 0.00 C ATOM 1593 C LEU A 98 -3.686 6.407 -5.383 1.00 0.00 C ATOM 1594 O LEU A 98 -3.834 5.990 -6.515 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.285 5.239 -3.684 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.947 5.252 -2.942 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.976 4.217 -1.815 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.178 4.899 -3.914 1.00 0.00 C ATOM 0 H LEU A 98 -1.958 7.601 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.540 6.237 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.107 5.343 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.422 4.284 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.777 6.245 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.022 4.227 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.779 4.460 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.148 3.226 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.131 4.908 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.002 3.906 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.204 5.630 -4.722 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.684 6.897 -4.706 1.00 0.00 N ATOM 1611 CA LYS A 99 -6.041 6.954 -5.315 1.00 0.00 C ATOM 1612 C LYS A 99 -5.999 7.820 -6.575 1.00 0.00 C ATOM 1613 O LYS A 99 -6.640 7.528 -7.564 1.00 0.00 O ATOM 1614 CB LYS A 99 -7.024 7.549 -4.309 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.427 7.590 -4.921 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.396 8.242 -3.933 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.815 8.199 -4.504 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.256 9.583 -4.843 1.00 0.00 N ATOM 0 H LYS A 99 -4.619 7.261 -3.755 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.365 5.948 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.032 6.952 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.709 8.554 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.411 8.151 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.760 6.580 -5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.362 7.721 -2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.100 9.274 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.842 7.569 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.497 7.756 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.220 9.555 -5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.245 10.171 -3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.610 9.990 -5.549 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.245 8.884 -6.547 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.158 9.769 -7.744 1.00 0.00 C ATOM 1634 C LYS A 100 -4.656 8.954 -8.931 1.00 0.00 C ATOM 1635 O LYS A 100 -5.161 9.053 -10.031 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.167 10.896 -7.463 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.256 11.945 -8.574 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.217 13.041 -8.326 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.411 14.166 -9.343 1.00 0.00 C ATOM 1640 NZ LYS A 100 -2.079 14.642 -9.817 1.00 0.00 N ATOM 0 H LYS A 100 -4.685 9.179 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.140 10.185 -7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.385 11.354 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.154 10.498 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.083 11.478 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.256 12.377 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.318 13.430 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.211 12.629 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.003 13.811 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.963 14.989 -8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.210 15.407 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.529 14.996 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.568 13.854 -10.265 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.666 8.143 -8.705 1.00 0.00 N ATOM 1655 CA ALA A 101 -3.117 7.303 -9.805 1.00 0.00 C ATOM 1656 C ALA A 101 -4.156 6.249 -10.172 1.00 0.00 C ATOM 1657 O ALA A 101 -4.488 6.060 -11.326 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.832 6.617 -9.337 1.00 0.00 C ATOM 0 H ALA A 101 -3.209 8.023 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.890 7.924 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.433 6.003 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.097 7.372 -9.058 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.049 5.986 -8.475 1.00 0.00 H new ATOM 1664 N THR A 102 -4.688 5.576 -9.191 1.00 0.00 N ATOM 1665 CA THR A 102 -5.725 4.552 -9.471 1.00 0.00 C ATOM 1666 C THR A 102 -6.928 5.250 -10.099 1.00 0.00 C ATOM 1667 O THR A 102 -7.645 4.683 -10.900 1.00 0.00 O ATOM 1668 CB THR A 102 -6.145 3.874 -8.164 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.996 3.354 -7.512 1.00 0.00 O ATOM 1670 CG2 THR A 102 -7.121 2.736 -8.468 1.00 0.00 C ATOM 0 H THR A 102 -4.447 5.693 -8.207 1.00 0.00 H new ATOM 0 HA THR A 102 -5.334 3.794 -10.150 1.00 0.00 H new ATOM 0 HB THR A 102 -6.632 4.603 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.516 4.082 -7.065 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.419 2.254 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.003 3.137 -8.968 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.637 2.005 -9.116 1.00 0.00 H new ATOM 1678 N GLU A 103 -7.152 6.484 -9.736 1.00 0.00 N ATOM 1679 CA GLU A 103 -8.308 7.232 -10.307 1.00 0.00 C ATOM 1680 C GLU A 103 -8.054 7.507 -11.791 1.00 0.00 C ATOM 1681 O GLU A 103 -7.065 8.109 -12.160 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.477 8.558 -9.564 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.741 9.264 -10.060 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.856 10.635 -9.392 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.972 10.974 -8.622 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.826 11.325 -9.661 1.00 0.00 O ATOM 0 H GLU A 103 -6.584 7.006 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.215 6.637 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.545 8.380 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.606 9.192 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.705 9.378 -11.143 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.620 8.662 -9.831 1.00 0.00 H new