USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.12) USER MOD Set 1.2: A 59 MET CE :methyl 175:sc= -0.52 (180deg=-0.633) USER MOD Set 2.1: A 35 HIS : no HE2:sc= 0.0152 X(o=-0.039,f=-0.31) USER MOD Set 2.2: B 199 CYS SG : rot 180:sc= -0.0546 USER MOD Single : A 21 TYR OH : rot 51:sc= 0.445 USER MOD Single : A 23 LYS NZ :NH3+ -118:sc= 0.668 (180deg=-1.23!) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1) USER MOD Single : A 29 GLN : amide:sc= 0.627 K(o=0.63,f=-0.097) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -126:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 1.1 (180deg=0.971) USER MOD Single : A 40 MET CE :methyl 153:sc= -0.312 (180deg=-1.09) USER MOD Single : A 41 THR OG1 : rot -134:sc= 1.14 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.13) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 1.3 (180deg=1.13) USER MOD Single : A 50 SER OG : rot 80:sc= 0.712 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 49:sc= 0.163 USER MOD Single : A 53 GLN : amide:sc= -0.941 K(o=-0.94,f=-3.5!) USER MOD Single : A 55 GLN : amide:sc= -0.0526 X(o=-0.053,f=-0.13) USER MOD Single : A 60 ASN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : A 61 SER OG : rot -98:sc= 1.3 USER MOD Single : A 69 GLN : amide:sc= -0.876 K(o=-0.88,f=-2.9!) USER MOD Single : A 74 ASN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0.794 K(o=0.79,f=-5!) USER MOD Single : A 76 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= 0.646 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc=-0.00267 (180deg=-0.00267) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.115 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.190 -6.954 -1.029 1.00 10.00 N ATOM 2 CA TYR A 21 11.792 -6.579 -1.202 1.00 10.00 C ATOM 3 C TYR A 21 10.997 -6.883 0.062 1.00 10.00 C ATOM 4 O TYR A 21 11.050 -7.996 0.591 1.00 10.00 O ATOM 5 CB TYR A 21 11.175 -7.329 -2.386 1.00 10.00 C ATOM 6 CG TYR A 21 11.324 -6.632 -3.724 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.371 -5.722 -4.167 1.00 10.00 C ATOM 8 CD2 TYR A 21 12.409 -6.899 -4.550 1.00 10.00 C ATOM 9 CE1 TYR A 21 10.493 -5.101 -5.399 1.00 10.00 C ATOM 10 CE2 TYR A 21 12.540 -6.280 -5.779 1.00 10.00 C ATOM 11 CZ TYR A 21 11.582 -5.381 -6.200 1.00 10.00 C ATOM 12 OH TYR A 21 11.709 -4.771 -7.432 1.00 10.00 O ATOM 0 HA TYR A 21 11.753 -5.508 -1.400 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.634 -8.316 -2.452 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.114 -7.483 -2.188 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.521 -5.495 -3.540 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.162 -7.602 -4.226 1.00 10.00 H new ATOM 0 HE1 TYR A 21 9.740 -4.401 -5.731 1.00 10.00 H new ATOM 0 HE2 TYR A 21 13.390 -6.500 -6.408 1.00 10.00 H new ATOM 0 HH TYR A 21 11.608 -3.802 -7.329 1.00 10.00 H new ATOM 22 N ILE A 22 10.265 -5.894 0.545 1.00 10.00 N ATOM 23 CA ILE A 22 9.448 -6.054 1.735 1.00 10.00 C ATOM 24 C ILE A 22 8.019 -6.375 1.320 1.00 10.00 C ATOM 25 O ILE A 22 7.363 -5.575 0.654 1.00 10.00 O ATOM 26 CB ILE A 22 9.458 -4.787 2.619 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.898 -4.345 2.909 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.702 -5.037 3.917 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.730 -5.387 3.627 1.00 10.00 C ATOM 0 H ILE A 22 10.220 -4.965 0.127 1.00 10.00 H new ATOM 0 HA ILE A 22 9.867 -6.870 2.324 1.00 10.00 H new ATOM 0 HB ILE A 22 8.956 -3.985 2.078 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.386 -4.091 1.968 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.874 -3.436 3.511 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.719 -4.134 4.528 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.669 -5.303 3.691 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.176 -5.853 4.463 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.734 -4.998 3.795 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.268 -5.625 4.585 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.787 -6.289 3.018 1.00 10.00 H new ATOM 41 N LYS A 23 7.547 -7.545 1.707 1.00 10.00 N ATOM 42 CA LYS A 23 6.212 -7.979 1.347 1.00 10.00 C ATOM 43 C LYS A 23 5.214 -7.639 2.445 1.00 10.00 C ATOM 44 O LYS A 23 5.341 -8.094 3.586 1.00 10.00 O ATOM 45 CB LYS A 23 6.219 -9.485 1.079 1.00 10.00 C ATOM 46 CG LYS A 23 5.026 -9.984 0.284 1.00 10.00 C ATOM 47 CD LYS A 23 5.119 -11.483 0.025 1.00 10.00 C ATOM 48 CE LYS A 23 4.563 -12.303 1.183 1.00 10.00 C ATOM 49 NZ LYS A 23 5.525 -12.426 2.316 1.00 10.00 N ATOM 0 H LYS A 23 8.071 -8.213 2.272 1.00 10.00 H new ATOM 0 HA LYS A 23 5.905 -7.454 0.443 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.132 -9.742 0.542 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.251 -10.012 2.033 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.107 -9.763 0.827 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.971 -9.452 -0.666 1.00 10.00 H new ATOM 0 HD2 LYS A 23 4.573 -11.727 -0.886 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.160 -11.757 -0.145 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.643 -11.841 1.541 1.00 10.00 H new ATOM 0 HE3 LYS A 23 4.301 -13.299 0.825 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.767 -13.427 2.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.388 -11.888 2.098 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.091 -12.048 3.182 1.00 10.00 H new ATOM 63 N LEU A 24 4.236 -6.823 2.096 1.00 10.00 N ATOM 64 CA LEU A 24 3.201 -6.416 3.032 1.00 10.00 C ATOM 65 C LEU A 24 1.885 -7.088 2.665 1.00 10.00 C ATOM 66 O LEU A 24 1.518 -7.145 1.489 1.00 10.00 O ATOM 67 CB LEU A 24 3.038 -4.893 3.015 1.00 10.00 C ATOM 68 CG LEU A 24 4.346 -4.098 3.082 1.00 10.00 C ATOM 69 CD1 LEU A 24 4.104 -2.642 2.729 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.971 -4.211 4.463 1.00 10.00 C ATOM 0 H LEU A 24 4.136 -6.425 1.162 1.00 10.00 H new ATOM 0 HA LEU A 24 3.491 -6.722 4.037 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.505 -4.610 2.107 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.410 -4.601 3.857 1.00 10.00 H new ATOM 0 HG LEU A 24 5.039 -4.520 2.354 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.044 -2.094 2.782 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.701 -2.575 1.718 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.392 -2.210 3.433 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.899 -3.640 4.490 1.00 10.00 H new ATOM 0 HD22 LEU A 24 4.280 -3.817 5.208 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.183 -5.258 4.682 1.00 10.00 H new ATOM 82 N LYS A 25 1.186 -7.604 3.666 1.00 10.00 N ATOM 83 CA LYS A 25 -0.084 -8.276 3.444 1.00 10.00 C ATOM 84 C LYS A 25 -1.230 -7.276 3.458 1.00 10.00 C ATOM 85 O LYS A 25 -1.559 -6.701 4.499 1.00 10.00 O ATOM 86 CB LYS A 25 -0.329 -9.358 4.501 1.00 10.00 C ATOM 87 CG LYS A 25 0.714 -10.463 4.494 1.00 10.00 C ATOM 88 CD LYS A 25 0.219 -11.713 5.204 1.00 10.00 C ATOM 89 CE LYS A 25 -0.897 -12.391 4.426 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.184 -13.757 4.933 1.00 10.00 N ATOM 0 H LYS A 25 1.479 -7.569 4.642 1.00 10.00 H new ATOM 0 HA LYS A 25 -0.038 -8.752 2.464 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.347 -8.893 5.487 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.313 -9.798 4.338 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.975 -10.709 3.465 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.624 -10.107 4.977 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.047 -12.410 5.336 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.138 -11.450 6.200 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.801 -11.785 4.488 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.622 -12.446 3.373 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -2.026 -14.135 4.454 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.370 -14.376 4.742 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.357 -13.718 5.958 1.00 10.00 H new ATOM 104 N VAL A 26 -1.818 -7.061 2.296 1.00 10.00 N ATOM 105 CA VAL A 26 -2.929 -6.142 2.159 1.00 10.00 C ATOM 106 C VAL A 26 -4.240 -6.911 2.220 1.00 10.00 C ATOM 107 O VAL A 26 -4.498 -7.777 1.383 1.00 10.00 O ATOM 108 CB VAL A 26 -2.851 -5.361 0.833 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.928 -4.289 0.772 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.467 -4.750 0.653 1.00 10.00 C ATOM 0 H VAL A 26 -1.540 -7.516 1.426 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.879 -5.426 2.980 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.025 -6.059 0.014 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.853 -3.751 -0.173 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.910 -4.755 0.847 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.794 -3.591 1.598 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.431 -4.202 -0.289 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.260 -4.068 1.478 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.718 -5.542 0.641 1.00 10.00 H new ATOM 120 N ILE A 27 -5.055 -6.609 3.219 1.00 10.00 N ATOM 121 CA ILE A 27 -6.330 -7.284 3.385 1.00 10.00 C ATOM 122 C ILE A 27 -7.467 -6.449 2.808 1.00 10.00 C ATOM 123 O ILE A 27 -7.715 -5.324 3.250 1.00 10.00 O ATOM 124 CB ILE A 27 -6.617 -7.589 4.874 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.525 -8.494 5.458 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.989 -8.233 5.039 1.00 10.00 C ATOM 127 CD1 ILE A 27 -5.423 -9.849 4.787 1.00 10.00 C ATOM 0 H ILE A 27 -4.855 -5.901 3.926 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.268 -8.227 2.842 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.614 -6.647 5.422 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.564 -7.986 5.376 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.718 -8.640 6.521 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -8.170 -8.439 6.094 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.756 -7.555 4.665 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -8.023 -9.166 4.476 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -4.628 -10.429 5.257 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -6.370 -10.379 4.892 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -5.197 -9.715 3.729 1.00 10.00 H new ATOM 139 N GLY A 28 -8.136 -6.997 1.803 1.00 10.00 N ATOM 140 CA GLY A 28 -9.249 -6.304 1.186 1.00 10.00 C ATOM 141 C GLY A 28 -10.539 -6.516 1.953 1.00 10.00 C ATOM 142 O GLY A 28 -10.596 -7.339 2.870 1.00 10.00 O ATOM 0 H GLY A 28 -7.927 -7.912 1.403 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.029 -5.238 1.133 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.373 -6.655 0.162 1.00 10.00 H new ATOM 146 N GLN A 29 -11.580 -5.786 1.577 1.00 10.00 N ATOM 147 CA GLN A 29 -12.876 -5.896 2.236 1.00 10.00 C ATOM 148 C GLN A 29 -13.518 -7.251 1.943 1.00 10.00 C ATOM 149 O GLN A 29 -14.298 -7.767 2.745 1.00 10.00 O ATOM 150 CB GLN A 29 -13.802 -4.758 1.786 1.00 10.00 C ATOM 151 CG GLN A 29 -15.198 -4.823 2.393 1.00 10.00 C ATOM 152 CD GLN A 29 -15.202 -4.628 3.901 1.00 10.00 C ATOM 153 OE1 GLN A 29 -15.349 -3.511 4.395 1.00 10.00 O ATOM 154 NE2 GLN A 29 -15.045 -5.714 4.645 1.00 10.00 N ATOM 0 H GLN A 29 -11.553 -5.108 0.816 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.721 -5.816 3.312 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.345 -3.804 2.051 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.887 -4.780 0.700 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.824 -4.059 1.932 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.646 -5.788 2.156 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.926 -6.624 4.200 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -15.044 -5.639 5.662 1.00 10.00 H new ATOM 163 N ASP A 30 -13.173 -7.835 0.800 1.00 10.00 N ATOM 164 CA ASP A 30 -13.711 -9.136 0.410 1.00 10.00 C ATOM 165 C ASP A 30 -12.821 -10.264 0.931 1.00 10.00 C ATOM 166 O ASP A 30 -12.876 -11.397 0.441 1.00 10.00 O ATOM 167 CB ASP A 30 -13.863 -9.229 -1.116 1.00 10.00 C ATOM 168 CG ASP A 30 -12.536 -9.258 -1.849 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.646 -8.451 -1.514 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.383 -10.078 -2.781 1.00 10.00 O ATOM 0 H ASP A 30 -12.523 -7.429 0.127 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.699 -9.243 0.857 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.427 -10.128 -1.364 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.447 -8.379 -1.469 1.00 10.00 H new ATOM 175 N SER A 31 -12.010 -9.935 1.939 1.00 10.00 N ATOM 176 CA SER A 31 -11.096 -10.887 2.567 1.00 10.00 C ATOM 177 C SER A 31 -10.080 -11.429 1.562 1.00 10.00 C ATOM 178 O SER A 31 -9.826 -12.633 1.497 1.00 10.00 O ATOM 179 CB SER A 31 -11.884 -12.029 3.218 1.00 10.00 C ATOM 180 OG SER A 31 -12.907 -11.521 4.064 1.00 10.00 O ATOM 0 H SER A 31 -11.970 -8.999 2.342 1.00 10.00 H new ATOM 0 HA SER A 31 -10.540 -10.362 3.343 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.325 -12.659 2.445 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.208 -12.659 3.796 1.00 10.00 H new ATOM 0 HG SER A 31 -13.398 -12.267 4.468 1.00 10.00 H new ATOM 186 N SER A 32 -9.507 -10.530 0.780 1.00 10.00 N ATOM 187 CA SER A 32 -8.512 -10.898 -0.211 1.00 10.00 C ATOM 188 C SER A 32 -7.112 -10.614 0.319 1.00 10.00 C ATOM 189 O SER A 32 -6.847 -9.529 0.839 1.00 10.00 O ATOM 190 CB SER A 32 -8.757 -10.111 -1.496 1.00 10.00 C ATOM 191 OG SER A 32 -9.122 -8.769 -1.205 1.00 10.00 O ATOM 0 H SER A 32 -9.717 -9.532 0.814 1.00 10.00 H new ATOM 0 HA SER A 32 -8.593 -11.964 -0.422 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.858 -10.122 -2.112 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.546 -10.590 -2.076 1.00 10.00 H new ATOM 0 HG SER A 32 -9.964 -8.553 -1.658 1.00 10.00 H new ATOM 197 N GLU A 33 -6.230 -11.595 0.211 1.00 10.00 N ATOM 198 CA GLU A 33 -4.862 -11.434 0.665 1.00 10.00 C ATOM 199 C GLU A 33 -3.977 -11.016 -0.499 1.00 10.00 C ATOM 200 O GLU A 33 -3.492 -11.857 -1.259 1.00 10.00 O ATOM 201 CB GLU A 33 -4.330 -12.732 1.270 1.00 10.00 C ATOM 202 CG GLU A 33 -5.004 -13.137 2.568 1.00 10.00 C ATOM 203 CD GLU A 33 -4.346 -14.347 3.197 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.695 -14.199 4.252 1.00 10.00 O ATOM 205 OE2 GLU A 33 -4.457 -15.452 2.628 1.00 10.00 O ATOM 0 H GLU A 33 -6.439 -12.510 -0.187 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.847 -10.661 1.434 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.454 -13.535 0.544 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.260 -12.625 1.448 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.972 -12.302 3.268 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -6.055 -13.354 2.378 1.00 10.00 H new ATOM 212 N ILE A 34 -3.794 -9.719 -0.659 1.00 10.00 N ATOM 213 CA ILE A 34 -2.963 -9.204 -1.734 1.00 10.00 C ATOM 214 C ILE A 34 -1.548 -8.976 -1.223 1.00 10.00 C ATOM 215 O ILE A 34 -1.351 -8.387 -0.158 1.00 10.00 O ATOM 216 CB ILE A 34 -3.525 -7.889 -2.324 1.00 10.00 C ATOM 217 CG1 ILE A 34 -5.047 -7.984 -2.513 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.845 -7.568 -3.649 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.482 -9.023 -3.529 1.00 10.00 C ATOM 0 H ILE A 34 -4.208 -9.004 -0.061 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.957 -9.946 -2.532 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.317 -7.083 -1.621 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.508 -8.216 -1.553 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.425 -7.009 -2.821 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.251 -6.640 -4.051 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.773 -7.455 -3.490 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.024 -8.379 -4.355 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.569 -9.027 -3.603 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -5.053 -8.783 -4.502 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -5.137 -10.007 -3.213 1.00 10.00 H new ATOM 231 N HIS A 35 -0.569 -9.453 -1.973 1.00 10.00 N ATOM 232 CA HIS A 35 0.825 -9.317 -1.585 1.00 10.00 C ATOM 233 C HIS A 35 1.469 -8.120 -2.274 1.00 10.00 C ATOM 234 O HIS A 35 1.619 -8.098 -3.499 1.00 10.00 O ATOM 235 CB HIS A 35 1.604 -10.591 -1.928 1.00 10.00 C ATOM 236 CG HIS A 35 1.070 -11.829 -1.271 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.747 -12.949 -2.004 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.825 -12.071 0.039 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.313 -13.839 -1.128 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.346 -13.352 0.120 1.00 10.00 N ATOM 0 H HIS A 35 -0.715 -9.940 -2.857 1.00 10.00 H new ATOM 0 HA HIS A 35 0.857 -9.157 -0.507 1.00 10.00 H new ATOM 0 HB2 HIS A 35 1.592 -10.732 -3.009 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.645 -10.457 -1.636 1.00 10.00 H new ATOM 0 HD1 HIS A 35 0.826 -13.067 -3.014 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.978 -11.387 0.860 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -0.025 -14.832 -1.385 1.00 10.00 H new ATOM 248 N PHE A 36 1.837 -7.124 -1.486 1.00 10.00 N ATOM 249 CA PHE A 36 2.477 -5.934 -2.017 1.00 10.00 C ATOM 250 C PHE A 36 3.957 -5.945 -1.656 1.00 10.00 C ATOM 251 O PHE A 36 4.317 -5.851 -0.484 1.00 10.00 O ATOM 252 CB PHE A 36 1.805 -4.666 -1.472 1.00 10.00 C ATOM 253 CG PHE A 36 1.818 -3.514 -2.438 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.886 -3.319 -3.301 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.755 -2.625 -2.489 1.00 10.00 C ATOM 256 CE1 PHE A 36 2.890 -2.270 -4.197 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.757 -1.572 -3.382 1.00 10.00 C ATOM 258 CZ PHE A 36 1.825 -1.393 -4.237 1.00 10.00 C ATOM 0 H PHE A 36 1.703 -7.117 -0.475 1.00 10.00 H new ATOM 0 HA PHE A 36 2.372 -5.933 -3.102 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.773 -4.897 -1.209 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.308 -4.364 -0.553 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.726 -3.997 -3.271 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.084 -2.758 -1.822 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.726 -2.135 -4.867 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.078 -0.888 -3.411 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.828 -0.569 -4.935 1.00 10.00 H new ATOM 268 N LYS A 37 4.809 -6.072 -2.661 1.00 10.00 N ATOM 269 CA LYS A 37 6.248 -6.104 -2.437 1.00 10.00 C ATOM 270 C LYS A 37 6.864 -4.737 -2.717 1.00 10.00 C ATOM 271 O LYS A 37 6.966 -4.305 -3.867 1.00 10.00 O ATOM 272 CB LYS A 37 6.904 -7.198 -3.293 1.00 10.00 C ATOM 273 CG LYS A 37 6.361 -7.284 -4.713 1.00 10.00 C ATOM 274 CD LYS A 37 6.647 -8.633 -5.349 1.00 10.00 C ATOM 275 CE LYS A 37 8.107 -8.765 -5.748 1.00 10.00 C ATOM 276 NZ LYS A 37 8.371 -10.030 -6.477 1.00 10.00 N ATOM 0 H LYS A 37 4.531 -6.155 -3.639 1.00 10.00 H new ATOM 0 HA LYS A 37 6.432 -6.345 -1.390 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.978 -7.016 -3.336 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.764 -8.161 -2.803 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.285 -7.109 -4.701 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.806 -6.495 -5.320 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.387 -9.428 -4.650 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.016 -8.763 -6.228 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.390 -7.919 -6.375 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.732 -8.723 -4.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.378 -10.081 -6.731 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 8.126 -10.838 -5.870 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 7.794 -10.059 -7.342 1.00 10.00 H new ATOM 290 N VAL A 38 7.263 -4.059 -1.649 1.00 10.00 N ATOM 291 CA VAL A 38 7.854 -2.731 -1.748 1.00 10.00 C ATOM 292 C VAL A 38 9.360 -2.781 -1.494 1.00 10.00 C ATOM 293 O VAL A 38 9.908 -3.833 -1.171 1.00 10.00 O ATOM 294 CB VAL A 38 7.198 -1.755 -0.743 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.682 -1.793 -0.873 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.617 -2.080 0.686 1.00 10.00 C ATOM 0 H VAL A 38 7.187 -4.411 -0.695 1.00 10.00 H new ATOM 0 HA VAL A 38 7.675 -2.372 -2.761 1.00 10.00 H new ATOM 0 HB VAL A 38 7.542 -0.748 -0.978 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.238 -1.100 -0.158 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.396 -1.504 -1.884 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.325 -2.802 -0.670 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.142 -1.379 1.373 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.309 -3.096 0.933 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.700 -1.998 0.775 1.00 10.00 H new ATOM 306 N LYS A 39 10.022 -1.642 -1.634 1.00 10.00 N ATOM 307 CA LYS A 39 11.459 -1.566 -1.412 1.00 10.00 C ATOM 308 C LYS A 39 11.788 -0.474 -0.400 1.00 10.00 C ATOM 309 O LYS A 39 10.914 -0.019 0.341 1.00 10.00 O ATOM 310 CB LYS A 39 12.197 -1.305 -2.727 1.00 10.00 C ATOM 311 CG LYS A 39 12.199 -2.487 -3.678 1.00 10.00 C ATOM 312 CD LYS A 39 12.755 -2.109 -5.040 1.00 10.00 C ATOM 313 CE LYS A 39 14.181 -1.592 -4.942 1.00 10.00 C ATOM 314 NZ LYS A 39 14.750 -1.285 -6.276 1.00 10.00 N ATOM 0 H LYS A 39 9.588 -0.758 -1.900 1.00 10.00 H new ATOM 0 HA LYS A 39 11.791 -2.524 -1.012 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.739 -0.451 -3.226 1.00 10.00 H new ATOM 0 HB3 LYS A 39 13.228 -1.029 -2.505 1.00 10.00 H new ATOM 0 HG2 LYS A 39 12.794 -3.295 -3.253 1.00 10.00 H new ATOM 0 HG3 LYS A 39 11.183 -2.865 -3.791 1.00 10.00 H new ATOM 0 HD2 LYS A 39 12.727 -2.978 -5.698 1.00 10.00 H new ATOM 0 HD3 LYS A 39 12.122 -1.346 -5.492 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.200 -0.695 -4.324 1.00 10.00 H new ATOM 0 HE3 LYS A 39 14.803 -2.335 -4.444 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.691 -0.856 -6.162 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 14.834 -2.162 -6.828 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.125 -0.620 -6.775 1.00 10.00 H new ATOM 328 N MET A 40 13.047 -0.058 -0.370 1.00 10.00 N ATOM 329 CA MET A 40 13.495 0.974 0.556 1.00 10.00 C ATOM 330 C MET A 40 13.646 2.314 -0.162 1.00 10.00 C ATOM 331 O MET A 40 13.365 3.373 0.403 1.00 10.00 O ATOM 332 CB MET A 40 14.829 0.559 1.185 1.00 10.00 C ATOM 333 CG MET A 40 15.194 1.339 2.440 1.00 10.00 C ATOM 334 SD MET A 40 14.226 0.850 3.882 1.00 10.00 S ATOM 335 CE MET A 40 14.635 -0.891 4.004 1.00 10.00 C ATOM 0 H MET A 40 13.780 -0.421 -0.980 1.00 10.00 H new ATOM 0 HA MET A 40 12.747 1.089 1.341 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.789 -0.503 1.429 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.621 0.687 0.448 1.00 10.00 H new ATOM 0 HG2 MET A 40 16.253 1.196 2.655 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.047 2.403 2.255 1.00 10.00 H new ATOM 0 HE1 MET A 40 14.536 -1.216 5.040 1.00 10.00 H new ATOM 0 HE2 MET A 40 13.957 -1.469 3.376 1.00 10.00 H new ATOM 0 HE3 MET A 40 15.661 -1.048 3.671 1.00 10.00 H new ATOM 345 N THR A 41 14.075 2.253 -1.416 1.00 10.00 N ATOM 346 CA THR A 41 14.282 3.449 -2.223 1.00 10.00 C ATOM 347 C THR A 41 12.960 4.050 -2.695 1.00 10.00 C ATOM 348 O THR A 41 12.890 5.239 -3.015 1.00 10.00 O ATOM 349 CB THR A 41 15.160 3.133 -3.459 1.00 10.00 C ATOM 350 OG1 THR A 41 15.670 4.341 -4.037 1.00 10.00 O ATOM 351 CG2 THR A 41 14.374 2.358 -4.514 1.00 10.00 C ATOM 0 H THR A 41 14.288 1.381 -1.900 1.00 10.00 H new ATOM 0 HA THR A 41 14.789 4.174 -1.587 1.00 10.00 H new ATOM 0 HB THR A 41 15.991 2.515 -3.120 1.00 10.00 H new ATOM 0 HG1 THR A 41 15.559 4.310 -5.010 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.018 2.152 -5.369 1.00 10.00 H new ATOM 0 HG22 THR A 41 14.023 1.418 -4.089 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.519 2.951 -4.839 1.00 10.00 H new ATOM 359 N THR A 42 11.916 3.237 -2.711 1.00 10.00 N ATOM 360 CA THR A 42 10.619 3.682 -3.187 1.00 10.00 C ATOM 361 C THR A 42 9.921 4.609 -2.190 1.00 10.00 C ATOM 362 O THR A 42 10.073 4.465 -0.973 1.00 10.00 O ATOM 363 CB THR A 42 9.705 2.483 -3.497 1.00 10.00 C ATOM 364 OG1 THR A 42 9.395 1.767 -2.288 1.00 10.00 O ATOM 365 CG2 THR A 42 10.359 1.526 -4.481 1.00 10.00 C ATOM 0 H THR A 42 11.943 2.266 -2.400 1.00 10.00 H new ATOM 0 HA THR A 42 10.803 4.246 -4.102 1.00 10.00 H new ATOM 0 HB THR A 42 8.791 2.876 -3.943 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.812 1.008 -2.498 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.687 0.691 -4.678 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.569 2.050 -5.413 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.291 1.150 -4.058 1.00 10.00 H new ATOM 373 N HIS A 43 9.162 5.564 -2.715 1.00 10.00 N ATOM 374 CA HIS A 43 8.415 6.503 -1.891 1.00 10.00 C ATOM 375 C HIS A 43 6.957 6.064 -1.889 1.00 10.00 C ATOM 376 O HIS A 43 6.446 5.612 -2.914 1.00 10.00 O ATOM 377 CB HIS A 43 8.523 7.943 -2.426 1.00 10.00 C ATOM 378 CG HIS A 43 9.921 8.429 -2.709 1.00 10.00 C ATOM 379 ND1 HIS A 43 10.134 9.670 -3.263 1.00 10.00 N ATOM 380 CD2 HIS A 43 11.127 7.831 -2.505 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.443 9.791 -3.383 1.00 10.00 C ATOM 382 NE2 HIS A 43 12.074 8.705 -2.929 1.00 10.00 N ATOM 0 H HIS A 43 9.048 5.708 -3.718 1.00 10.00 H new ATOM 0 HA HIS A 43 8.829 6.501 -0.883 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.940 8.015 -3.344 1.00 10.00 H new ATOM 0 HB3 HIS A 43 8.063 8.616 -1.702 1.00 10.00 H new ATOM 0 HD1 HIS A 43 9.426 10.355 -3.527 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.297 6.850 -2.086 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.940 10.657 -3.795 1.00 10.00 H new ATOM 390 N LEU A 44 6.278 6.217 -0.761 1.00 10.00 N ATOM 391 CA LEU A 44 4.885 5.791 -0.653 1.00 10.00 C ATOM 392 C LEU A 44 3.947 6.613 -1.541 1.00 10.00 C ATOM 393 O LEU A 44 2.770 6.279 -1.688 1.00 10.00 O ATOM 394 CB LEU A 44 4.429 5.835 0.803 1.00 10.00 C ATOM 395 CG LEU A 44 5.172 4.870 1.734 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.661 4.996 3.157 1.00 10.00 C ATOM 397 CD2 LEU A 44 5.033 3.435 1.240 1.00 10.00 C ATOM 0 H LEU A 44 6.663 6.630 0.088 1.00 10.00 H new ATOM 0 HA LEU A 44 4.834 4.763 -1.013 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.554 6.850 1.179 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.363 5.610 0.843 1.00 10.00 H new ATOM 0 HG LEU A 44 6.229 5.135 1.727 1.00 10.00 H new ATOM 0 HD11 LEU A 44 5.202 4.302 3.801 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.816 6.015 3.510 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.597 4.761 3.184 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.567 2.765 1.914 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.979 3.159 1.215 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.454 3.353 0.238 1.00 10.00 H new ATOM 409 N LYS A 45 4.472 7.673 -2.143 1.00 10.00 N ATOM 410 CA LYS A 45 3.682 8.515 -3.034 1.00 10.00 C ATOM 411 C LYS A 45 3.269 7.716 -4.266 1.00 10.00 C ATOM 412 O LYS A 45 2.092 7.673 -4.633 1.00 10.00 O ATOM 413 CB LYS A 45 4.484 9.753 -3.455 1.00 10.00 C ATOM 414 CG LYS A 45 3.823 10.569 -4.559 1.00 10.00 C ATOM 415 CD LYS A 45 2.501 11.169 -4.104 1.00 10.00 C ATOM 416 CE LYS A 45 1.658 11.635 -5.280 1.00 10.00 C ATOM 417 NZ LYS A 45 0.357 12.200 -4.833 1.00 10.00 N ATOM 0 H LYS A 45 5.441 7.970 -2.031 1.00 10.00 H new ATOM 0 HA LYS A 45 2.789 8.846 -2.504 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.633 10.391 -2.584 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.472 9.437 -3.791 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.495 11.367 -4.873 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.654 9.934 -5.429 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.945 10.429 -3.529 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.694 12.011 -3.439 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.207 12.388 -5.846 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.479 10.797 -5.954 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.326 12.161 -5.616 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.005 11.646 -4.031 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.491 13.189 -4.539 1.00 10.00 H new ATOM 431 N LYS A 46 4.246 7.063 -4.881 1.00 10.00 N ATOM 432 CA LYS A 46 4.006 6.261 -6.071 1.00 10.00 C ATOM 433 C LYS A 46 3.278 4.970 -5.704 1.00 10.00 C ATOM 434 O LYS A 46 2.582 4.380 -6.529 1.00 10.00 O ATOM 435 CB LYS A 46 5.335 5.949 -6.764 1.00 10.00 C ATOM 436 CG LYS A 46 5.191 5.465 -8.201 1.00 10.00 C ATOM 437 CD LYS A 46 6.510 5.572 -8.949 1.00 10.00 C ATOM 438 CE LYS A 46 6.801 7.008 -9.355 1.00 10.00 C ATOM 439 NZ LYS A 46 8.236 7.216 -9.663 1.00 10.00 N ATOM 0 H LYS A 46 5.218 7.074 -4.572 1.00 10.00 H new ATOM 0 HA LYS A 46 3.375 6.826 -6.758 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.956 6.845 -6.755 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.863 5.189 -6.188 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.849 4.430 -8.207 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.430 6.055 -8.712 1.00 10.00 H new ATOM 0 HD2 LYS A 46 7.318 5.199 -8.320 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.479 4.940 -9.837 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.201 7.267 -10.228 1.00 10.00 H new ATOM 0 HE3 LYS A 46 6.501 7.680 -8.551 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 8.376 8.178 -10.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.798 7.092 -8.797 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 8.542 6.524 -10.376 1.00 10.00 H new ATOM 453 N LEU A 47 3.442 4.544 -4.457 1.00 10.00 N ATOM 454 CA LEU A 47 2.804 3.325 -3.962 1.00 10.00 C ATOM 455 C LEU A 47 1.288 3.421 -4.083 1.00 10.00 C ATOM 456 O LEU A 47 0.640 2.545 -4.662 1.00 10.00 O ATOM 457 CB LEU A 47 3.178 3.081 -2.493 1.00 10.00 C ATOM 458 CG LEU A 47 4.341 2.112 -2.235 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.019 0.729 -2.762 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.637 2.624 -2.844 1.00 10.00 C ATOM 0 H LEU A 47 4.015 5.027 -3.765 1.00 10.00 H new ATOM 0 HA LEU A 47 3.159 2.493 -4.570 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.426 4.041 -2.040 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.297 2.703 -1.975 1.00 10.00 H new ATOM 0 HG LEU A 47 4.480 2.048 -1.156 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.858 0.061 -2.567 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.128 0.348 -2.263 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.839 0.782 -3.836 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.439 1.914 -2.643 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.514 2.736 -3.921 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.889 3.590 -2.405 1.00 10.00 H new ATOM 472 N LYS A 48 0.743 4.513 -3.562 1.00 10.00 N ATOM 473 CA LYS A 48 -0.697 4.747 -3.566 1.00 10.00 C ATOM 474 C LYS A 48 -1.281 4.751 -4.979 1.00 10.00 C ATOM 475 O LYS A 48 -2.283 4.084 -5.243 1.00 10.00 O ATOM 476 CB LYS A 48 -1.011 6.072 -2.866 1.00 10.00 C ATOM 477 CG LYS A 48 -0.507 6.135 -1.431 1.00 10.00 C ATOM 478 CD LYS A 48 -0.899 7.435 -0.745 1.00 10.00 C ATOM 479 CE LYS A 48 -2.406 7.545 -0.569 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.791 8.766 0.185 1.00 10.00 N ATOM 0 H LYS A 48 1.284 5.260 -3.126 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.163 3.923 -3.025 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.567 6.889 -3.435 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.089 6.230 -2.871 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.909 5.293 -0.868 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.578 6.034 -1.423 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.413 7.493 0.229 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.538 8.280 -1.332 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.885 7.557 -1.548 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.775 6.664 -0.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.808 8.735 0.400 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.250 8.811 1.072 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.584 9.608 -0.389 1.00 10.00 H new ATOM 494 N GLU A 49 -0.651 5.485 -5.892 1.00 10.00 N ATOM 495 CA GLU A 49 -1.150 5.573 -7.263 1.00 10.00 C ATOM 496 C GLU A 49 -0.991 4.253 -8.015 1.00 10.00 C ATOM 497 O GLU A 49 -1.798 3.937 -8.892 1.00 10.00 O ATOM 498 CB GLU A 49 -0.467 6.711 -8.030 1.00 10.00 C ATOM 499 CG GLU A 49 1.051 6.650 -8.015 1.00 10.00 C ATOM 500 CD GLU A 49 1.679 7.756 -8.835 1.00 10.00 C ATOM 501 OE1 GLU A 49 2.046 7.501 -10.002 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.798 8.886 -8.323 1.00 10.00 O ATOM 0 H GLU A 49 0.197 6.022 -5.712 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.216 5.791 -7.198 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.810 6.694 -9.065 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.785 7.663 -7.605 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.405 6.718 -6.986 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.377 5.684 -8.401 1.00 10.00 H new ATOM 509 N SER A 50 0.030 3.477 -7.665 1.00 10.00 N ATOM 510 CA SER A 50 0.261 2.196 -8.324 1.00 10.00 C ATOM 511 C SER A 50 -0.829 1.194 -7.959 1.00 10.00 C ATOM 512 O SER A 50 -1.269 0.406 -8.800 1.00 10.00 O ATOM 513 CB SER A 50 1.642 1.647 -7.963 1.00 10.00 C ATOM 514 OG SER A 50 2.661 2.517 -8.432 1.00 10.00 O ATOM 0 H SER A 50 0.705 3.709 -6.936 1.00 10.00 H new ATOM 0 HA SER A 50 0.226 2.356 -9.402 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.723 1.532 -6.882 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.772 0.657 -8.400 1.00 10.00 H new ATOM 0 HG SER A 50 2.762 3.267 -7.810 1.00 10.00 H new ATOM 520 N TYR A 51 -1.277 1.234 -6.707 1.00 10.00 N ATOM 521 CA TYR A 51 -2.327 0.334 -6.250 1.00 10.00 C ATOM 522 C TYR A 51 -3.642 0.665 -6.946 1.00 10.00 C ATOM 523 O TYR A 51 -4.451 -0.221 -7.224 1.00 10.00 O ATOM 524 CB TYR A 51 -2.498 0.419 -4.731 1.00 10.00 C ATOM 525 CG TYR A 51 -3.494 -0.579 -4.178 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.265 -1.946 -4.277 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.663 -0.153 -3.563 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.173 -2.860 -3.776 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.573 -1.062 -3.058 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.325 -2.414 -3.168 1.00 10.00 C ATOM 531 OH TYR A 51 -6.234 -3.319 -2.667 1.00 10.00 O ATOM 0 H TYR A 51 -0.930 1.877 -5.995 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.037 -0.686 -6.504 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.531 0.257 -4.255 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.819 1.426 -4.465 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.363 -2.300 -4.753 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -4.864 0.905 -3.478 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.980 -3.919 -3.861 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.476 -0.714 -2.578 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.990 -2.838 -2.270 1.00 10.00 H new ATOM 541 N CYS A 52 -3.840 1.945 -7.239 1.00 10.00 N ATOM 542 CA CYS A 52 -5.048 2.397 -7.915 1.00 10.00 C ATOM 543 C CYS A 52 -5.151 1.755 -9.296 1.00 10.00 C ATOM 544 O CYS A 52 -6.223 1.306 -9.709 1.00 10.00 O ATOM 545 CB CYS A 52 -5.051 3.924 -8.037 1.00 10.00 C ATOM 546 SG CYS A 52 -4.907 4.792 -6.455 1.00 10.00 S ATOM 0 H CYS A 52 -3.178 2.689 -7.018 1.00 10.00 H new ATOM 0 HA CYS A 52 -5.912 2.095 -7.324 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.227 4.228 -8.682 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -5.972 4.237 -8.528 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.927 4.283 -5.769 1.00 10.00 H new ATOM 552 N GLN A 53 -4.021 1.685 -9.993 1.00 10.00 N ATOM 553 CA GLN A 53 -3.969 1.090 -11.323 1.00 10.00 C ATOM 554 C GLN A 53 -4.281 -0.401 -11.251 1.00 10.00 C ATOM 555 O GLN A 53 -4.899 -0.964 -12.154 1.00 10.00 O ATOM 556 CB GLN A 53 -2.586 1.300 -11.940 1.00 10.00 C ATOM 557 CG GLN A 53 -2.125 2.747 -11.928 1.00 10.00 C ATOM 558 CD GLN A 53 -0.621 2.877 -12.048 1.00 10.00 C ATOM 559 OE1 GLN A 53 0.127 1.992 -11.636 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.168 3.986 -12.605 1.00 10.00 N ATOM 0 H GLN A 53 -3.124 2.035 -9.656 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.717 1.577 -11.949 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.861 0.692 -11.399 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.599 0.941 -12.969 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -2.600 3.283 -12.750 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.455 3.223 -11.004 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -0.823 4.696 -12.934 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.836 4.132 -12.706 1.00 10.00 H new ATOM 569 N ARG A 54 -3.853 -1.028 -10.161 1.00 10.00 N ATOM 570 CA ARG A 54 -4.076 -2.451 -9.949 1.00 10.00 C ATOM 571 C ARG A 54 -5.566 -2.758 -9.803 1.00 10.00 C ATOM 572 O ARG A 54 -6.069 -3.723 -10.374 1.00 10.00 O ATOM 573 CB ARG A 54 -3.321 -2.921 -8.700 1.00 10.00 C ATOM 574 CG ARG A 54 -3.505 -4.397 -8.383 1.00 10.00 C ATOM 575 CD ARG A 54 -2.571 -5.271 -9.205 1.00 10.00 C ATOM 576 NE ARG A 54 -2.865 -6.695 -9.044 1.00 10.00 N ATOM 577 CZ ARG A 54 -2.064 -7.675 -9.461 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.915 -7.391 -10.064 1.00 10.00 N ATOM 579 NH2 ARG A 54 -2.413 -8.942 -9.278 1.00 10.00 N ATOM 0 H ARG A 54 -3.346 -0.567 -9.405 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.700 -2.987 -10.821 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.258 -2.719 -8.833 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.653 -2.332 -7.845 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.322 -4.567 -7.322 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.538 -4.685 -8.578 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.655 -5.001 -10.258 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.540 -5.078 -8.908 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.738 -6.954 -8.584 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -0.642 -6.419 -10.210 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -0.306 -8.145 -10.381 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -3.295 -9.167 -8.818 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.799 -9.691 -9.598 1.00 10.00 H new ATOM 593 N GLN A 55 -6.268 -1.920 -9.052 1.00 10.00 N ATOM 594 CA GLN A 55 -7.694 -2.117 -8.818 1.00 10.00 C ATOM 595 C GLN A 55 -8.539 -1.522 -9.940 1.00 10.00 C ATOM 596 O GLN A 55 -9.749 -1.742 -9.996 1.00 10.00 O ATOM 597 CB GLN A 55 -8.097 -1.493 -7.481 1.00 10.00 C ATOM 598 CG GLN A 55 -7.331 -2.050 -6.292 1.00 10.00 C ATOM 599 CD GLN A 55 -7.500 -3.547 -6.142 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.703 -4.332 -6.653 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.548 -3.949 -5.449 1.00 10.00 N ATOM 0 H GLN A 55 -5.875 -1.098 -8.594 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.879 -3.191 -8.793 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.940 -0.416 -7.531 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.163 -1.653 -7.322 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.272 -1.817 -6.405 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.671 -1.556 -5.382 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.184 -3.263 -5.042 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.722 -4.946 -5.320 1.00 10.00 H new ATOM 610 N GLY A 56 -7.903 -0.775 -10.831 1.00 10.00 N ATOM 611 CA GLY A 56 -8.621 -0.157 -11.927 1.00 10.00 C ATOM 612 C GLY A 56 -9.480 0.998 -11.453 1.00 10.00 C ATOM 613 O GLY A 56 -10.614 1.180 -11.904 1.00 10.00 O ATOM 0 H GLY A 56 -6.901 -0.586 -10.814 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -7.910 0.200 -12.672 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.249 -0.901 -12.416 1.00 10.00 H new ATOM 617 N VAL A 57 -8.937 1.772 -10.529 1.00 10.00 N ATOM 618 CA VAL A 57 -9.640 2.914 -9.966 1.00 10.00 C ATOM 619 C VAL A 57 -8.743 4.146 -9.986 1.00 10.00 C ATOM 620 O VAL A 57 -7.520 4.022 -10.102 1.00 10.00 O ATOM 621 CB VAL A 57 -10.086 2.633 -8.508 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.149 1.547 -8.464 1.00 10.00 C ATOM 623 CG2 VAL A 57 -8.894 2.252 -7.644 1.00 10.00 C ATOM 0 H VAL A 57 -8.001 1.629 -10.149 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.526 3.093 -10.576 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.521 3.548 -8.107 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.445 1.369 -7.430 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.018 1.865 -9.040 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -10.748 0.628 -8.890 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.230 2.059 -6.625 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.424 1.355 -8.047 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.172 3.069 -7.640 1.00 10.00 H new ATOM 633 N PRO A 58 -9.329 5.352 -9.918 1.00 10.00 N ATOM 634 CA PRO A 58 -8.556 6.595 -9.897 1.00 10.00 C ATOM 635 C PRO A 58 -7.875 6.795 -8.546 1.00 10.00 C ATOM 636 O PRO A 58 -8.075 6.003 -7.624 1.00 10.00 O ATOM 637 CB PRO A 58 -9.614 7.674 -10.136 1.00 10.00 C ATOM 638 CG PRO A 58 -10.881 7.083 -9.628 1.00 10.00 C ATOM 639 CD PRO A 58 -10.784 5.605 -9.882 1.00 10.00 C ATOM 0 HA PRO A 58 -7.756 6.608 -10.637 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.367 8.594 -9.607 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.691 7.925 -11.194 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.008 7.288 -8.565 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.743 7.510 -10.140 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.271 5.030 -9.094 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.262 5.328 -10.821 1.00 10.00 H new ATOM 647 N MET A 59 -7.078 7.845 -8.419 1.00 10.00 N ATOM 648 CA MET A 59 -6.383 8.111 -7.166 1.00 10.00 C ATOM 649 C MET A 59 -7.327 8.745 -6.148 1.00 10.00 C ATOM 650 O MET A 59 -8.361 9.308 -6.518 1.00 10.00 O ATOM 651 CB MET A 59 -5.167 9.012 -7.400 1.00 10.00 C ATOM 652 CG MET A 59 -4.065 8.812 -6.371 1.00 10.00 C ATOM 653 SD MET A 59 -2.572 9.742 -6.758 1.00 10.00 S ATOM 654 CE MET A 59 -1.467 9.134 -5.486 1.00 10.00 C ATOM 0 H MET A 59 -6.896 8.522 -9.160 1.00 10.00 H new ATOM 0 HA MET A 59 -6.034 7.159 -6.765 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.766 8.818 -8.395 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.486 10.054 -7.383 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.431 9.114 -5.390 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.821 7.752 -6.308 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.471 9.547 -5.642 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.837 9.438 -4.507 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.420 8.046 -5.534 1.00 10.00 H new ATOM 664 N ASN A 60 -6.968 8.629 -4.868 1.00 10.00 N ATOM 665 CA ASN A 60 -7.764 9.179 -3.763 1.00 10.00 C ATOM 666 C ASN A 60 -9.100 8.452 -3.668 1.00 10.00 C ATOM 667 O ASN A 60 -10.131 9.041 -3.329 1.00 10.00 O ATOM 668 CB ASN A 60 -7.984 10.688 -3.938 1.00 10.00 C ATOM 669 CG ASN A 60 -8.026 11.430 -2.615 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.005 11.935 -2.141 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.202 11.504 -2.009 1.00 10.00 N ATOM 0 H ASN A 60 -6.119 8.152 -4.566 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.212 9.027 -2.835 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.185 11.099 -4.555 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.918 10.855 -4.474 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.286 11.992 -1.117 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -10.023 11.073 -2.434 1.00 10.00 H new ATOM 678 N SER A 61 -9.069 7.164 -3.977 1.00 10.00 N ATOM 679 CA SER A 61 -10.259 6.332 -3.946 1.00 10.00 C ATOM 680 C SER A 61 -10.275 5.444 -2.710 1.00 10.00 C ATOM 681 O SER A 61 -11.323 5.218 -2.102 1.00 10.00 O ATOM 682 CB SER A 61 -10.296 5.465 -5.201 1.00 10.00 C ATOM 683 OG SER A 61 -9.015 4.912 -5.461 1.00 10.00 O ATOM 0 H SER A 61 -8.221 6.669 -4.255 1.00 10.00 H new ATOM 0 HA SER A 61 -11.136 6.979 -3.910 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.025 4.665 -5.076 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.621 6.062 -6.053 1.00 10.00 H new ATOM 0 HG SER A 61 -8.553 5.458 -6.131 1.00 10.00 H new ATOM 689 N LEU A 62 -9.106 4.939 -2.344 1.00 10.00 N ATOM 690 CA LEU A 62 -8.979 4.062 -1.193 1.00 10.00 C ATOM 691 C LEU A 62 -7.971 4.618 -0.194 1.00 10.00 C ATOM 692 O LEU A 62 -7.040 5.335 -0.565 1.00 10.00 O ATOM 693 CB LEU A 62 -8.545 2.664 -1.644 1.00 10.00 C ATOM 694 CG LEU A 62 -9.458 1.998 -2.674 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.634 1.381 -3.792 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.328 0.944 -2.010 1.00 10.00 C ATOM 0 H LEU A 62 -8.229 5.124 -2.831 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.951 3.999 -0.704 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.541 2.730 -2.062 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.483 2.020 -0.767 1.00 10.00 H new ATOM 0 HG LEU A 62 -10.108 2.760 -3.104 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.299 0.911 -4.517 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -8.050 2.158 -4.285 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -7.961 0.631 -3.377 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.972 0.480 -2.757 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -9.694 0.183 -1.554 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.943 1.412 -1.241 1.00 10.00 H new ATOM 708 N ARG A 63 -8.168 4.287 1.071 1.00 10.00 N ATOM 709 CA ARG A 63 -7.275 4.739 2.126 1.00 10.00 C ATOM 710 C ARG A 63 -6.466 3.570 2.666 1.00 10.00 C ATOM 711 O ARG A 63 -6.980 2.454 2.786 1.00 10.00 O ATOM 712 CB ARG A 63 -8.061 5.394 3.264 1.00 10.00 C ATOM 713 CG ARG A 63 -9.055 4.459 3.934 1.00 10.00 C ATOM 714 CD ARG A 63 -9.775 5.137 5.089 1.00 10.00 C ATOM 715 NE ARG A 63 -10.907 4.343 5.562 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.129 4.407 5.034 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.379 5.221 4.018 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.099 3.642 5.517 1.00 10.00 N ATOM 0 H ARG A 63 -8.941 3.705 1.394 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.598 5.480 1.702 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.360 5.763 4.013 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.596 6.260 2.874 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -9.785 4.118 3.200 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.533 3.575 4.299 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.076 5.298 5.909 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.126 6.119 4.772 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.753 3.703 6.341 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.634 5.803 3.636 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.317 5.265 3.619 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.909 3.006 6.291 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.035 3.690 5.114 1.00 10.00 H new ATOM 732 N PHE A 64 -5.207 3.827 2.973 1.00 10.00 N ATOM 733 CA PHE A 64 -4.328 2.802 3.508 1.00 10.00 C ATOM 734 C PHE A 64 -4.140 3.033 4.997 1.00 10.00 C ATOM 735 O PHE A 64 -3.519 4.014 5.407 1.00 10.00 O ATOM 736 CB PHE A 64 -2.982 2.825 2.781 1.00 10.00 C ATOM 737 CG PHE A 64 -3.110 2.709 1.289 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.117 3.843 0.493 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.231 1.469 0.685 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.243 3.740 -0.881 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.355 1.360 -0.685 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.362 2.497 -1.469 1.00 10.00 C ATOM 0 H PHE A 64 -4.769 4.741 2.860 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.776 1.820 3.354 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.462 3.752 3.023 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.364 2.007 3.150 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.023 4.817 0.950 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.228 0.577 1.293 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.248 4.630 -1.492 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.446 0.387 -1.144 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.461 2.414 -2.541 1.00 10.00 H new ATOM 752 N LEU A 65 -4.693 2.143 5.801 1.00 10.00 N ATOM 753 CA LEU A 65 -4.615 2.269 7.245 1.00 10.00 C ATOM 754 C LEU A 65 -3.607 1.304 7.848 1.00 10.00 C ATOM 755 O LEU A 65 -3.637 0.099 7.585 1.00 10.00 O ATOM 756 CB LEU A 65 -5.991 2.030 7.869 1.00 10.00 C ATOM 757 CG LEU A 65 -7.059 3.059 7.509 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.433 2.559 7.922 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.757 4.397 8.167 1.00 10.00 C ATOM 0 H LEU A 65 -5.203 1.322 5.476 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.280 3.283 7.465 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.343 1.044 7.565 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.881 2.009 8.953 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.052 3.201 6.428 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.185 3.303 7.659 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.651 1.625 7.405 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.450 2.390 8.999 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.530 5.117 7.898 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.737 4.274 9.250 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.788 4.760 7.825 1.00 10.00 H new ATOM 771 N PHE A 66 -2.718 1.856 8.653 1.00 10.00 N ATOM 772 CA PHE A 66 -1.700 1.087 9.340 1.00 10.00 C ATOM 773 C PHE A 66 -1.648 1.528 10.796 1.00 10.00 C ATOM 774 O PHE A 66 -1.331 2.682 11.089 1.00 10.00 O ATOM 775 CB PHE A 66 -0.331 1.272 8.678 1.00 10.00 C ATOM 776 CG PHE A 66 0.801 0.691 9.480 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.884 -0.675 9.701 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.777 1.514 10.020 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.918 -1.209 10.445 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.815 0.985 10.764 1.00 10.00 C ATOM 781 CZ PHE A 66 2.885 -0.379 10.978 1.00 10.00 C ATOM 0 H PHE A 66 -2.683 2.856 8.849 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.953 0.028 9.283 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.346 0.806 7.693 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.150 2.336 8.525 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.131 -1.329 9.287 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.726 2.580 9.858 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.970 -2.275 10.610 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.570 1.637 11.178 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.694 -0.795 11.561 1.00 10.00 H new ATOM 791 N GLU A 67 -2.000 0.615 11.695 1.00 10.00 N ATOM 792 CA GLU A 67 -2.009 0.889 13.131 1.00 10.00 C ATOM 793 C GLU A 67 -3.025 1.979 13.477 1.00 10.00 C ATOM 794 O GLU A 67 -2.911 2.643 14.509 1.00 10.00 O ATOM 795 CB GLU A 67 -0.614 1.291 13.620 1.00 10.00 C ATOM 796 CG GLU A 67 0.372 0.138 13.662 1.00 10.00 C ATOM 797 CD GLU A 67 -0.037 -0.932 14.651 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.443 -2.028 14.218 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.039 -0.681 15.871 1.00 10.00 O ATOM 0 H GLU A 67 -2.287 -0.333 11.452 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.303 -0.029 13.640 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.221 2.071 12.968 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.698 1.722 14.618 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.456 -0.302 12.668 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.359 0.517 13.927 1.00 10.00 H new ATOM 806 N GLY A 68 -4.022 2.153 12.615 1.00 10.00 N ATOM 807 CA GLY A 68 -5.042 3.158 12.845 1.00 10.00 C ATOM 808 C GLY A 68 -4.752 4.459 12.124 1.00 10.00 C ATOM 809 O GLY A 68 -5.627 5.318 12.001 1.00 10.00 O ATOM 0 H GLY A 68 -4.141 1.613 11.758 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.007 2.772 12.517 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.123 3.350 13.915 1.00 10.00 H new ATOM 813 N GLN A 69 -3.525 4.609 11.642 1.00 10.00 N ATOM 814 CA GLN A 69 -3.121 5.816 10.938 1.00 10.00 C ATOM 815 C GLN A 69 -3.204 5.608 9.431 1.00 10.00 C ATOM 816 O GLN A 69 -2.972 4.505 8.945 1.00 10.00 O ATOM 817 CB GLN A 69 -1.697 6.208 11.338 1.00 10.00 C ATOM 818 CG GLN A 69 -1.531 6.443 12.831 1.00 10.00 C ATOM 819 CD GLN A 69 -0.343 7.325 13.163 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.672 7.322 12.464 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.463 8.093 14.231 1.00 10.00 N ATOM 0 H GLN A 69 -2.791 3.906 11.727 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.800 6.622 11.215 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.010 5.423 11.023 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.413 7.114 10.802 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.438 6.902 13.224 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.416 5.483 13.334 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.320 8.067 14.784 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.301 8.712 14.502 1.00 10.00 H new ATOM 830 N ARG A 70 -3.541 6.658 8.694 1.00 10.00 N ATOM 831 CA ARG A 70 -3.645 6.558 7.241 1.00 10.00 C ATOM 832 C ARG A 70 -2.365 7.048 6.570 1.00 10.00 C ATOM 833 O ARG A 70 -1.851 8.124 6.887 1.00 10.00 O ATOM 834 CB ARG A 70 -4.868 7.327 6.715 1.00 10.00 C ATOM 835 CG ARG A 70 -4.976 8.759 7.217 1.00 10.00 C ATOM 836 CD ARG A 70 -6.322 9.372 6.857 1.00 10.00 C ATOM 837 NE ARG A 70 -6.415 9.718 5.437 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.400 9.322 4.625 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.381 8.547 5.074 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.408 9.708 3.358 1.00 10.00 N ATOM 0 H ARG A 70 -3.746 7.583 9.073 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.780 5.506 6.989 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.833 7.339 5.626 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.771 6.787 6.999 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.843 8.778 8.299 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.174 9.359 6.787 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.117 8.671 7.110 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.483 10.267 7.458 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.678 10.301 5.041 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.388 8.247 6.049 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.127 8.252 4.444 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.663 10.307 3.003 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.159 9.406 2.738 1.00 10.00 H new ATOM 854 N ILE A 71 -1.856 6.241 5.650 1.00 10.00 N ATOM 855 CA ILE A 71 -0.632 6.557 4.924 1.00 10.00 C ATOM 856 C ILE A 71 -0.814 7.793 4.044 1.00 10.00 C ATOM 857 O ILE A 71 -1.717 7.845 3.203 1.00 10.00 O ATOM 858 CB ILE A 71 -0.188 5.368 4.042 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.038 4.095 4.887 1.00 10.00 C ATOM 860 CG2 ILE A 71 1.113 5.689 3.318 1.00 10.00 C ATOM 861 CD1 ILE A 71 1.063 4.170 5.925 1.00 10.00 C ATOM 0 H ILE A 71 -2.278 5.351 5.386 1.00 10.00 H new ATOM 0 HA ILE A 71 0.138 6.760 5.668 1.00 10.00 H new ATOM 0 HB ILE A 71 -0.960 5.193 3.292 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -0.984 3.891 5.389 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.159 3.252 4.224 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.407 4.838 2.703 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.970 6.563 2.683 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.895 5.895 4.049 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.105 3.233 6.480 1.00 10.00 H new ATOM 0 HD12 ILE A 71 2.019 4.341 5.430 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.859 4.990 6.613 1.00 10.00 H new ATOM 873 N ALA A 72 0.047 8.779 4.244 1.00 10.00 N ATOM 874 CA ALA A 72 -0.003 10.010 3.475 1.00 10.00 C ATOM 875 C ALA A 72 0.825 9.877 2.205 1.00 10.00 C ATOM 876 O ALA A 72 1.628 8.954 2.068 1.00 10.00 O ATOM 877 CB ALA A 72 0.491 11.182 4.308 1.00 10.00 C ATOM 0 H ALA A 72 0.794 8.748 4.938 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.040 10.198 3.196 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.446 12.095 3.714 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.139 11.292 5.191 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.520 11.001 4.617 1.00 10.00 H new ATOM 883 N ASP A 73 0.644 10.817 1.291 1.00 10.00 N ATOM 884 CA ASP A 73 1.359 10.806 0.015 1.00 10.00 C ATOM 885 C ASP A 73 2.805 11.276 0.168 1.00 10.00 C ATOM 886 O ASP A 73 3.565 11.283 -0.799 1.00 10.00 O ATOM 887 CB ASP A 73 0.649 11.703 -1.003 1.00 10.00 C ATOM 888 CG ASP A 73 -0.602 11.072 -1.580 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.583 10.894 -0.827 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.618 10.772 -2.792 1.00 10.00 O ATOM 0 H ASP A 73 0.005 11.604 1.406 1.00 10.00 H new ATOM 0 HA ASP A 73 1.366 9.775 -0.337 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.386 12.647 -0.525 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.338 11.938 -1.814 1.00 10.00 H new ATOM 895 N ASN A 74 3.183 11.674 1.372 1.00 10.00 N ATOM 896 CA ASN A 74 4.538 12.149 1.621 1.00 10.00 C ATOM 897 C ASN A 74 5.257 11.258 2.627 1.00 10.00 C ATOM 898 O ASN A 74 6.352 11.582 3.088 1.00 10.00 O ATOM 899 CB ASN A 74 4.512 13.600 2.123 1.00 10.00 C ATOM 900 CG ASN A 74 3.985 13.724 3.541 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.775 13.762 3.767 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.888 13.794 4.504 1.00 10.00 N ATOM 0 H ASN A 74 2.575 11.678 2.191 1.00 10.00 H new ATOM 0 HA ASN A 74 5.086 12.109 0.680 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.520 14.013 2.078 1.00 10.00 H new ATOM 0 HB3 ASN A 74 3.892 14.199 1.456 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.591 13.883 5.476 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.881 13.759 4.275 1.00 10.00 H new ATOM 909 N HIS A 75 4.654 10.125 2.950 1.00 10.00 N ATOM 910 CA HIS A 75 5.244 9.204 3.911 1.00 10.00 C ATOM 911 C HIS A 75 6.268 8.294 3.243 1.00 10.00 C ATOM 912 O HIS A 75 6.204 8.042 2.037 1.00 10.00 O ATOM 913 CB HIS A 75 4.159 8.360 4.584 1.00 10.00 C ATOM 914 CG HIS A 75 3.455 9.059 5.710 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.212 8.657 6.142 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.865 10.109 6.464 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.898 9.462 7.142 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.868 10.355 7.370 1.00 10.00 N ATOM 0 H HIS A 75 3.760 9.821 2.563 1.00 10.00 H new ATOM 0 HA HIS A 75 5.753 9.798 4.670 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.423 8.067 3.835 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.609 7.443 4.964 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.797 10.647 6.369 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.977 9.406 7.703 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.865 11.083 8.085 1.00 10.00 H new ATOM 926 N THR A 76 7.221 7.821 4.028 1.00 10.00 N ATOM 927 CA THR A 76 8.251 6.931 3.531 1.00 10.00 C ATOM 928 C THR A 76 8.202 5.602 4.283 1.00 10.00 C ATOM 929 O THR A 76 7.687 5.543 5.397 1.00 10.00 O ATOM 930 CB THR A 76 9.652 7.564 3.680 1.00 10.00 C ATOM 931 OG1 THR A 76 9.854 8.022 5.026 1.00 10.00 O ATOM 932 CG2 THR A 76 9.831 8.721 2.710 1.00 10.00 C ATOM 0 H THR A 76 7.301 8.042 5.021 1.00 10.00 H new ATOM 0 HA THR A 76 8.064 6.756 2.472 1.00 10.00 H new ATOM 0 HB THR A 76 10.393 6.799 3.448 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.202 8.723 5.234 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.825 9.150 2.835 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.717 8.360 1.688 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.079 9.484 2.911 1.00 10.00 H new ATOM 940 N PRO A 77 8.731 4.513 3.694 1.00 10.00 N ATOM 941 CA PRO A 77 8.739 3.188 4.334 1.00 10.00 C ATOM 942 C PRO A 77 9.725 3.108 5.501 1.00 10.00 C ATOM 943 O PRO A 77 9.883 2.057 6.127 1.00 10.00 O ATOM 944 CB PRO A 77 9.175 2.236 3.209 1.00 10.00 C ATOM 945 CG PRO A 77 9.138 3.041 1.953 1.00 10.00 C ATOM 946 CD PRO A 77 9.351 4.468 2.363 1.00 10.00 C ATOM 0 HA PRO A 77 7.765 2.947 4.760 1.00 10.00 H new ATOM 0 HB2 PRO A 77 10.176 1.846 3.394 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.506 1.378 3.143 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.913 2.716 1.259 1.00 10.00 H new ATOM 0 HG3 PRO A 77 8.183 2.921 1.442 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.409 4.726 2.400 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.877 5.164 1.671 1.00 10.00 H new ATOM 954 N LYS A 78 10.393 4.218 5.782 1.00 10.00 N ATOM 955 CA LYS A 78 11.364 4.276 6.863 1.00 10.00 C ATOM 956 C LYS A 78 10.701 4.699 8.172 1.00 10.00 C ATOM 957 O LYS A 78 11.179 4.371 9.256 1.00 10.00 O ATOM 958 CB LYS A 78 12.497 5.246 6.503 1.00 10.00 C ATOM 959 CG LYS A 78 13.653 5.253 7.498 1.00 10.00 C ATOM 960 CD LYS A 78 14.361 3.906 7.560 1.00 10.00 C ATOM 961 CE LYS A 78 15.136 3.617 6.282 1.00 10.00 C ATOM 962 NZ LYS A 78 15.913 2.354 6.378 1.00 10.00 N ATOM 0 H LYS A 78 10.279 5.094 5.273 1.00 10.00 H new ATOM 0 HA LYS A 78 11.781 3.279 7.002 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.883 4.987 5.517 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.088 6.254 6.431 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.368 6.026 7.217 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.277 5.511 8.488 1.00 10.00 H new ATOM 0 HD2 LYS A 78 15.043 3.892 8.410 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.628 3.117 7.727 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.442 3.554 5.444 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.814 4.445 6.073 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.918 2.551 6.199 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.803 1.950 7.330 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 15.562 1.676 5.672 1.00 10.00 H new ATOM 976 N GLU A 79 9.594 5.417 8.070 1.00 10.00 N ATOM 977 CA GLU A 79 8.885 5.879 9.253 1.00 10.00 C ATOM 978 C GLU A 79 7.723 4.946 9.579 1.00 10.00 C ATOM 979 O GLU A 79 7.415 4.041 8.797 1.00 10.00 O ATOM 980 CB GLU A 79 8.392 7.317 9.059 1.00 10.00 C ATOM 981 CG GLU A 79 7.425 7.488 7.901 1.00 10.00 C ATOM 982 CD GLU A 79 7.368 8.919 7.411 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.881 9.790 8.160 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.819 9.176 6.274 1.00 10.00 O ATOM 0 H GLU A 79 9.168 5.692 7.185 1.00 10.00 H new ATOM 0 HA GLU A 79 9.576 5.868 10.096 1.00 10.00 H new ATOM 0 HB2 GLU A 79 7.907 7.651 9.976 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.253 7.967 8.899 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.725 6.836 7.080 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.429 7.172 8.212 1.00 10.00 H new ATOM 991 N LEU A 80 7.110 5.163 10.746 1.00 10.00 N ATOM 992 CA LEU A 80 5.975 4.363 11.228 1.00 10.00 C ATOM 993 C LEU A 80 6.422 2.972 11.676 1.00 10.00 C ATOM 994 O LEU A 80 6.160 2.565 12.806 1.00 10.00 O ATOM 995 CB LEU A 80 4.873 4.258 10.168 1.00 10.00 C ATOM 996 CG LEU A 80 3.808 5.354 10.226 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.964 5.349 8.961 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.928 5.169 11.451 1.00 10.00 C ATOM 0 H LEU A 80 7.388 5.904 11.390 1.00 10.00 H new ATOM 0 HA LEU A 80 5.563 4.881 12.094 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.337 4.276 9.182 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.382 3.290 10.272 1.00 10.00 H new ATOM 0 HG LEU A 80 4.310 6.319 10.299 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.212 6.136 9.022 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.604 5.525 8.096 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.470 4.383 8.857 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.174 5.956 11.480 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.436 4.197 11.402 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.541 5.221 12.351 1.00 10.00 H new ATOM 1010 N GLY A 81 7.098 2.251 10.795 1.00 10.00 N ATOM 1011 CA GLY A 81 7.567 0.925 11.128 1.00 10.00 C ATOM 1012 C GLY A 81 7.027 -0.128 10.187 1.00 10.00 C ATOM 1013 O GLY A 81 6.103 -0.861 10.532 1.00 10.00 O ATOM 0 H GLY A 81 7.330 2.563 9.852 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.657 0.910 11.100 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.271 0.683 12.149 1.00 10.00 H new ATOM 1017 N MET A 82 7.602 -0.205 8.995 1.00 10.00 N ATOM 1018 CA MET A 82 7.172 -1.180 8.002 1.00 10.00 C ATOM 1019 C MET A 82 8.057 -2.415 8.058 1.00 10.00 C ATOM 1020 O MET A 82 9.258 -2.348 7.792 1.00 10.00 O ATOM 1021 CB MET A 82 7.198 -0.571 6.598 1.00 10.00 C ATOM 1022 CG MET A 82 6.107 0.462 6.372 1.00 10.00 C ATOM 1023 SD MET A 82 5.827 0.818 4.626 1.00 10.00 S ATOM 1024 CE MET A 82 4.306 1.756 4.729 1.00 10.00 C ATOM 0 H MET A 82 8.368 0.396 8.692 1.00 10.00 H new ATOM 0 HA MET A 82 6.147 -1.472 8.230 1.00 10.00 H new ATOM 0 HB2 MET A 82 8.169 -0.107 6.429 1.00 10.00 H new ATOM 0 HB3 MET A 82 7.093 -1.368 5.862 1.00 10.00 H new ATOM 0 HG2 MET A 82 5.179 0.106 6.818 1.00 10.00 H new ATOM 0 HG3 MET A 82 6.375 1.384 6.887 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.994 2.054 3.728 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.529 1.141 5.183 1.00 10.00 H new ATOM 0 HE3 MET A 82 4.467 2.645 5.339 1.00 10.00 H new ATOM 1034 N GLU A 83 7.458 -3.540 8.412 1.00 10.00 N ATOM 1035 CA GLU A 83 8.187 -4.793 8.522 1.00 10.00 C ATOM 1036 C GLU A 83 7.642 -5.827 7.545 1.00 10.00 C ATOM 1037 O GLU A 83 6.566 -5.649 6.976 1.00 10.00 O ATOM 1038 CB GLU A 83 8.083 -5.327 9.953 1.00 10.00 C ATOM 1039 CG GLU A 83 8.969 -4.592 10.944 1.00 10.00 C ATOM 1040 CD GLU A 83 10.434 -4.919 10.755 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.879 -5.976 11.247 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.146 -4.128 10.110 1.00 10.00 O ATOM 0 H GLU A 83 6.464 -3.611 8.629 1.00 10.00 H new ATOM 0 HA GLU A 83 9.232 -4.606 8.276 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.047 -5.256 10.283 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.348 -6.384 9.957 1.00 10.00 H new ATOM 0 HG2 GLU A 83 8.821 -3.518 10.833 1.00 10.00 H new ATOM 0 HG3 GLU A 83 8.669 -4.852 11.959 1.00 10.00 H new ATOM 1049 N GLU A 84 8.394 -6.903 7.353 1.00 10.00 N ATOM 1050 CA GLU A 84 7.986 -7.980 6.461 1.00 10.00 C ATOM 1051 C GLU A 84 6.830 -8.755 7.089 1.00 10.00 C ATOM 1052 O GLU A 84 6.803 -8.947 8.308 1.00 10.00 O ATOM 1053 CB GLU A 84 9.182 -8.904 6.184 1.00 10.00 C ATOM 1054 CG GLU A 84 8.829 -10.215 5.491 1.00 10.00 C ATOM 1055 CD GLU A 84 8.413 -10.040 4.043 1.00 10.00 C ATOM 1056 OE1 GLU A 84 8.942 -9.131 3.371 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.574 -10.830 3.562 1.00 10.00 O ATOM 0 H GLU A 84 9.295 -7.053 7.806 1.00 10.00 H new ATOM 0 HA GLU A 84 7.647 -7.564 5.512 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.904 -8.367 5.569 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.675 -9.130 7.129 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.689 -10.884 5.536 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.020 -10.699 6.037 1.00 10.00 H new ATOM 1064 N GLU A 85 5.873 -9.167 6.256 1.00 10.00 N ATOM 1065 CA GLU A 85 4.700 -9.921 6.708 1.00 10.00 C ATOM 1066 C GLU A 85 3.774 -9.048 7.553 1.00 10.00 C ATOM 1067 O GLU A 85 2.996 -9.550 8.371 1.00 10.00 O ATOM 1068 CB GLU A 85 5.110 -11.179 7.486 1.00 10.00 C ATOM 1069 CG GLU A 85 5.718 -12.263 6.612 1.00 10.00 C ATOM 1070 CD GLU A 85 4.700 -12.932 5.713 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.336 -12.341 4.675 1.00 10.00 O ATOM 1072 OE2 GLU A 85 4.278 -14.065 6.030 1.00 10.00 O ATOM 0 H GLU A 85 5.888 -8.989 5.252 1.00 10.00 H new ATOM 0 HA GLU A 85 4.154 -10.236 5.819 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.828 -10.901 8.258 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.235 -11.583 7.995 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.507 -11.829 5.999 1.00 10.00 H new ATOM 0 HG3 GLU A 85 6.185 -13.016 7.247 1.00 10.00 H new ATOM 1079 N ASP A 86 3.860 -7.739 7.353 1.00 10.00 N ATOM 1080 CA ASP A 86 3.014 -6.802 8.079 1.00 10.00 C ATOM 1081 C ASP A 86 1.626 -6.793 7.455 1.00 10.00 C ATOM 1082 O ASP A 86 1.465 -7.181 6.300 1.00 10.00 O ATOM 1083 CB ASP A 86 3.611 -5.393 8.053 1.00 10.00 C ATOM 1084 CG ASP A 86 3.259 -4.587 9.288 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.324 -4.980 10.018 1.00 10.00 O ATOM 1086 OD2 ASP A 86 3.926 -3.560 9.538 1.00 10.00 O ATOM 0 H ASP A 86 4.506 -7.303 6.695 1.00 10.00 H new ATOM 0 HA ASP A 86 2.948 -7.120 9.119 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.695 -5.464 7.967 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.254 -4.868 7.167 1.00 10.00 H new ATOM 1091 N VAL A 87 0.629 -6.355 8.202 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.738 -6.332 7.698 1.00 10.00 C ATOM 1093 C VAL A 87 -1.272 -4.906 7.614 1.00 10.00 C ATOM 1094 O VAL A 87 -1.292 -4.178 8.607 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.685 -7.178 8.577 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.072 -7.253 7.957 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.123 -8.576 8.790 1.00 10.00 C ATOM 0 H VAL A 87 0.736 -6.011 9.156 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.709 -6.764 6.698 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.767 -6.690 9.548 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.723 -7.854 8.593 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.483 -6.248 7.863 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.005 -7.711 6.970 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.808 -9.153 9.412 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.004 -9.071 7.826 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.154 -8.507 9.285 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.706 -4.518 6.424 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.255 -3.189 6.202 1.00 10.00 C ATOM 1109 C ILE A 88 -3.705 -3.301 5.727 1.00 10.00 C ATOM 1110 O ILE A 88 -4.061 -4.240 5.009 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.408 -2.386 5.182 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.928 -0.949 5.058 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.396 -3.072 3.825 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.040 -0.046 4.228 1.00 10.00 C ATOM 0 H ILE A 88 -1.688 -5.109 5.593 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.227 -2.646 7.147 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.383 -2.349 5.550 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.924 -0.970 4.615 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.032 -0.523 6.056 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.795 -2.488 3.128 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.969 -4.070 3.925 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.416 -3.150 3.448 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.474 0.953 4.187 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -0.050 0.007 4.681 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.956 -0.447 3.218 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.541 -2.363 6.145 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.948 -2.378 5.776 1.00 10.00 C ATOM 1128 C GLU A 89 -6.258 -1.281 4.771 1.00 10.00 C ATOM 1129 O GLU A 89 -5.797 -0.150 4.913 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.819 -2.204 7.021 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.369 -3.056 8.194 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.201 -2.830 9.437 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.055 -3.686 9.750 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.000 -1.801 10.118 1.00 10.00 O ATOM 0 H GLU A 89 -4.269 -1.581 6.741 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.168 -3.340 5.314 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.810 -1.155 7.318 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.850 -2.456 6.773 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.421 -4.108 7.914 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.325 -2.837 8.417 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.032 -1.617 3.754 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.404 -0.653 2.735 1.00 10.00 C ATOM 1143 C VAL A 90 -8.917 -0.659 2.529 1.00 10.00 C ATOM 1144 O VAL A 90 -9.526 -1.715 2.355 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.672 -0.928 1.397 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.922 -2.348 0.914 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.085 0.081 0.335 1.00 10.00 C ATOM 0 H VAL A 90 -7.415 -2.552 3.612 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.098 0.334 3.081 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.602 -0.818 1.576 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.395 -2.510 -0.026 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.559 -3.055 1.660 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.991 -2.498 0.762 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.558 -0.133 -0.595 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.160 0.013 0.167 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.834 1.087 0.671 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.520 0.519 2.581 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.962 0.649 2.410 1.00 10.00 C ATOM 1159 C TYR A 91 -11.286 1.822 1.493 1.00 10.00 C ATOM 1160 O TYR A 91 -10.476 2.739 1.343 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.645 0.829 3.769 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.574 -0.404 4.640 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.387 -1.503 4.384 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.695 -0.475 5.714 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.319 -2.636 5.168 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.623 -1.607 6.502 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.440 -2.682 6.227 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.373 -3.814 7.009 1.00 10.00 O ATOM 0 H TYR A 91 -9.033 1.401 2.740 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.340 -0.264 1.949 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.180 1.664 4.294 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.690 1.094 3.611 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.082 -1.469 3.558 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -10.058 0.368 5.936 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.953 -3.484 4.952 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.930 -1.649 7.329 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.703 -3.686 7.713 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.465 1.783 0.888 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.896 2.833 -0.025 1.00 10.00 C ATOM 1180 C GLN A 92 -13.240 4.112 0.733 1.00 10.00 C ATOM 1181 O GLN A 92 -13.909 4.076 1.771 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.101 2.361 -0.844 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.552 3.358 -1.901 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.603 2.787 -2.824 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.288 2.231 -3.876 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.861 2.921 -2.443 1.00 10.00 N ATOM 0 H GLN A 92 -13.143 1.032 1.014 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.071 3.053 -0.703 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.851 1.418 -1.330 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.932 2.161 -0.168 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.948 4.248 -1.411 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.690 3.674 -2.489 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.080 3.388 -1.563 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.613 2.557 -3.028 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.771 5.234 0.205 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.008 6.534 0.807 1.00 10.00 C ATOM 1197 C GLU A 93 -14.451 6.971 0.609 1.00 10.00 C ATOM 1198 O GLU A 93 -15.127 6.526 -0.321 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.064 7.571 0.199 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.608 7.361 0.578 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.309 7.809 1.990 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -10.833 7.195 2.942 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.548 8.782 2.156 1.00 10.00 O ATOM 0 H GLU A 93 -12.217 5.266 -0.651 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.817 6.454 1.877 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.156 7.542 -0.887 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.375 8.565 0.519 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.357 6.305 0.474 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.972 7.910 -0.117 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.912 7.848 1.486 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.272 8.359 1.425 1.00 10.00 C ATOM 1212 C GLN A 94 -16.467 9.232 0.188 1.00 10.00 C ATOM 1213 O GLN A 94 -17.575 9.358 -0.331 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.584 9.155 2.695 1.00 10.00 C ATOM 1215 CG GLN A 94 -17.987 9.734 2.733 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.277 10.466 4.022 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.368 10.954 4.696 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.547 10.557 4.373 1.00 10.00 N ATOM 0 H GLN A 94 -14.358 8.224 2.256 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.959 7.516 1.355 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.446 8.507 3.560 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.864 9.968 2.788 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.117 10.417 1.894 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.712 8.930 2.605 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.269 10.139 3.787 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.805 11.045 5.230 1.00 10.00 H new ATOM 1227 N THR A 95 -15.377 9.819 -0.287 1.00 10.00 N ATOM 1228 CA THR A 95 -15.420 10.674 -1.463 1.00 10.00 C ATOM 1229 C THR A 95 -15.451 9.855 -2.751 1.00 10.00 C ATOM 1230 O THR A 95 -15.631 10.399 -3.843 1.00 10.00 O ATOM 1231 CB THR A 95 -14.209 11.621 -1.487 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.244 11.189 -0.517 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.640 13.047 -1.185 1.00 10.00 C ATOM 0 H THR A 95 -14.450 9.718 0.126 1.00 10.00 H new ATOM 0 HA THR A 95 -16.338 11.259 -1.404 1.00 10.00 H new ATOM 0 HB THR A 95 -13.764 11.597 -2.482 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.471 11.792 -0.533 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.769 13.703 -1.206 1.00 10.00 H new ATOM 0 HG22 THR A 95 -15.360 13.376 -1.934 1.00 10.00 H new ATOM 0 HG23 THR A 95 -15.100 13.087 -0.198 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.267 8.547 -2.619 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.286 7.668 -3.773 1.00 10.00 C ATOM 1243 C GLY A 96 -13.971 7.660 -4.526 1.00 10.00 C ATOM 1244 O GLY A 96 -13.344 6.613 -4.687 1.00 10.00 O ATOM 0 H GLY A 96 -15.104 8.077 -1.728 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.520 6.654 -3.448 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.084 7.978 -4.448 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.560 8.826 -4.995 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.317 8.943 -5.730 1.00 10.00 C ATOM 1250 C GLY A 97 -12.084 10.355 -6.215 1.00 10.00 C ATOM 1251 O GLY A 97 -12.936 11.224 -6.010 1.00 10.00 O ATOM 0 H GLY A 97 -14.069 9.702 -4.879 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.488 8.636 -5.093 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.333 8.264 -6.582 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -8.175 -20.385 -4.463 1.00 10.00 N ATOM 1257 CA ASP B 195 -8.407 -18.997 -4.078 1.00 10.00 C ATOM 1258 C ASP B 195 -7.681 -18.068 -5.041 1.00 10.00 C ATOM 1259 O ASP B 195 -7.151 -18.520 -6.055 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.924 -18.750 -2.650 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.819 -17.784 -1.904 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.386 -18.181 -0.867 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.974 -16.628 -2.354 1.00 10.00 O ATOM 0 HA ASP B 195 -9.477 -18.795 -4.121 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -7.886 -19.697 -2.112 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.908 -18.356 -2.675 1.00 10.00 H new ATOM 1268 N THR B 196 -7.631 -16.782 -4.724 1.00 10.00 N ATOM 1269 CA THR B 196 -6.954 -15.829 -5.589 1.00 10.00 C ATOM 1270 C THR B 196 -5.808 -15.134 -4.861 1.00 10.00 C ATOM 1271 O THR B 196 -5.992 -14.578 -3.780 1.00 10.00 O ATOM 1272 CB THR B 196 -7.931 -14.753 -6.109 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.288 -15.184 -5.920 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.683 -14.461 -7.584 1.00 10.00 C ATOM 0 H THR B 196 -8.046 -16.379 -3.884 1.00 10.00 H new ATOM 0 HA THR B 196 -6.557 -16.398 -6.430 1.00 10.00 H new ATOM 0 HB THR B 196 -7.762 -13.838 -5.542 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.900 -14.494 -6.251 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.384 -13.700 -7.927 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.663 -14.101 -7.717 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.825 -15.373 -8.164 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.627 -15.164 -5.463 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.462 -14.511 -4.891 1.00 10.00 C ATOM 1284 C ALA B 197 -2.935 -13.482 -5.870 1.00 10.00 C ATOM 1285 O ALA B 197 -2.715 -13.790 -7.043 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.380 -15.531 -4.555 1.00 10.00 C ATOM 0 H ALA B 197 -4.452 -15.636 -6.350 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.751 -14.014 -3.965 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.517 -15.019 -4.128 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.769 -16.250 -3.834 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -2.079 -16.054 -5.463 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.754 -12.265 -5.399 1.00 10.00 N ATOM 1293 CA GLY B 198 -2.256 -11.212 -6.252 1.00 10.00 C ATOM 1294 C GLY B 198 -0.978 -10.605 -5.724 1.00 10.00 C ATOM 1295 O GLY B 198 -0.903 -10.253 -4.550 1.00 10.00 O ATOM 0 H GLY B 198 -2.943 -11.984 -4.437 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -2.081 -11.609 -7.252 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -3.014 -10.434 -6.346 1.00 10.00 H new ATOM 1299 N CYS B 199 0.027 -10.495 -6.574 1.00 10.00 N ATOM 1300 CA CYS B 199 1.296 -9.901 -6.176 1.00 10.00 C ATOM 1301 C CYS B 199 1.586 -8.688 -7.042 1.00 10.00 C ATOM 1302 O CYS B 199 1.540 -8.767 -8.270 1.00 10.00 O ATOM 1303 CB CYS B 199 2.427 -10.920 -6.302 1.00 10.00 C ATOM 1304 SG CYS B 199 2.196 -12.402 -5.286 1.00 10.00 S ATOM 0 H CYS B 199 -0.008 -10.808 -7.544 1.00 10.00 H new ATOM 0 HA CYS B 199 1.228 -9.590 -5.133 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.520 -11.218 -7.346 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.366 -10.442 -6.022 1.00 10.00 H new ATOM 0 HG CYS B 199 3.201 -13.208 -5.459 1.00 10.00 H new ATOM 1310 N ILE B 200 1.880 -7.567 -6.408 1.00 10.00 N ATOM 1311 CA ILE B 200 2.153 -6.337 -7.136 1.00 10.00 C ATOM 1312 C ILE B 200 3.548 -5.793 -6.821 1.00 10.00 C ATOM 1313 O ILE B 200 3.929 -5.671 -5.659 1.00 10.00 O ATOM 1314 CB ILE B 200 1.062 -5.277 -6.844 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.497 -3.888 -7.321 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.700 -5.253 -5.363 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.378 -2.868 -7.300 1.00 10.00 C ATOM 0 H ILE B 200 1.936 -7.481 -5.393 1.00 10.00 H new ATOM 0 HA ILE B 200 2.130 -6.569 -8.201 1.00 10.00 H new ATOM 0 HB ILE B 200 0.170 -5.560 -7.404 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.313 -3.534 -6.691 1.00 10.00 H new ATOM 0 HG13 ILE B 200 1.889 -3.966 -8.335 1.00 10.00 H new ATOM 0 HG21 ILE B 200 -0.068 -4.499 -5.188 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.323 -6.231 -5.065 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.586 -5.011 -4.776 1.00 10.00 H new ATOM 0 HD11 ILE B 200 0.755 -1.907 -7.650 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.429 -3.200 -7.953 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.002 -2.762 -6.283 1.00 10.00 H new ATOM 1329 N VAL B 201 4.297 -5.458 -7.872 1.00 10.00 N ATOM 1330 CA VAL B 201 5.649 -4.936 -7.717 1.00 10.00 C ATOM 1331 C VAL B 201 5.750 -3.521 -8.284 1.00 10.00 C ATOM 1332 O VAL B 201 5.289 -3.238 -9.391 1.00 10.00 O ATOM 1333 CB VAL B 201 6.705 -5.844 -8.389 1.00 10.00 C ATOM 1334 CG1 VAL B 201 6.495 -5.905 -9.895 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.109 -5.366 -8.049 1.00 10.00 C ATOM 0 H VAL B 201 3.987 -5.540 -8.840 1.00 10.00 H new ATOM 0 HA VAL B 201 5.858 -4.914 -6.648 1.00 10.00 H new ATOM 0 HB VAL B 201 6.585 -6.855 -8.000 1.00 10.00 H new ATOM 0 HG11 VAL B 201 7.251 -6.550 -10.342 1.00 10.00 H new ATOM 0 HG12 VAL B 201 5.504 -6.306 -10.108 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.579 -4.903 -10.315 1.00 10.00 H new ATOM 0 HG21 VAL B 201 8.841 -6.015 -8.529 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.242 -4.344 -8.405 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.252 -5.395 -6.969 1.00 10.00 H new ATOM 1345 N ILE B 202 6.317 -2.634 -7.486 1.00 10.00 N ATOM 1346 CA ILE B 202 6.481 -1.235 -7.842 1.00 10.00 C ATOM 1347 C ILE B 202 7.950 -0.808 -7.792 1.00 10.00 C ATOM 1348 O ILE B 202 8.676 -1.206 -6.879 1.00 10.00 O ATOM 1349 CB ILE B 202 5.660 -0.342 -6.890 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.975 1.135 -7.120 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.939 -0.712 -5.436 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.065 2.060 -6.354 1.00 10.00 C ATOM 0 H ILE B 202 6.681 -2.867 -6.562 1.00 10.00 H new ATOM 0 HA ILE B 202 6.122 -1.115 -8.864 1.00 10.00 H new ATOM 0 HB ILE B 202 4.604 -0.509 -7.102 1.00 10.00 H new ATOM 0 HG12 ILE B 202 7.008 1.329 -6.831 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.895 1.356 -8.184 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.351 -0.072 -4.778 1.00 10.00 H new ATOM 0 HG22 ILE B 202 5.666 -1.754 -5.267 1.00 10.00 H new ATOM 0 HG23 ILE B 202 6.999 -0.575 -5.223 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.340 3.094 -6.560 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.033 1.891 -6.661 1.00 10.00 H new ATOM 0 HD13 ILE B 202 5.163 1.864 -5.286 1.00 10.00 H new HETATM 1364 N SEP B 203 8.414 -0.049 -8.779 1.00 10.00 N HETATM 1365 CA SEP B 203 9.782 0.419 -8.740 1.00 10.00 C HETATM 1366 CB SEP B 203 10.486 -0.025 -10.023 1.00 10.00 C HETATM 1367 OG SEP B 203 11.899 -0.015 -9.902 1.00 10.00 O HETATM 1368 C SEP B 203 9.770 1.928 -8.645 1.00 10.00 C HETATM 1369 O SEP B 203 9.318 2.620 -9.555 1.00 10.00 O HETATM 1370 P SEP B 203 12.612 -1.061 -8.932 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.016 -1.347 -9.279 1.00 10.00 O HETATM 1372 O2P SEP B 203 11.820 -2.280 -8.659 1.00 10.00 O HETATM 1373 O3P SEP B 203 12.704 -0.298 -7.534 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.155 -1.030 -10.286 1.00 10.00 H new HETATM 0 HB2 SEP B 203 10.191 0.632 -10.841 1.00 10.00 H new HETATM 0 HA SEP B 203 10.310 0.008 -7.880 1.00 10.00 H new ATOM 1378 N ASP B 204 10.245 2.433 -7.517 1.00 10.00 N ATOM 1379 CA ASP B 204 10.296 3.866 -7.280 1.00 10.00 C ATOM 1380 C ASP B 204 11.602 4.310 -6.633 1.00 10.00 C ATOM 1381 O ASP B 204 12.030 3.729 -5.656 1.00 10.00 O ATOM 1382 CB ASP B 204 9.111 4.306 -6.458 1.00 10.00 C ATOM 1383 CG ASP B 204 9.056 5.815 -6.320 1.00 10.00 C ATOM 1384 OD1 ASP B 204 8.705 6.295 -5.231 1.00 10.00 O ATOM 1385 OD2 ASP B 204 9.375 6.529 -7.306 1.00 10.00 O ATOM 0 H ASP B 204 10.603 1.867 -6.747 1.00 10.00 H new ATOM 0 HA ASP B 204 10.252 4.352 -8.254 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.192 3.949 -6.923 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.165 3.851 -5.469 1.00 10.00 H new HETATM 1390 N SEP B 205 12.239 5.310 -7.189 1.00 10.00 N HETATM 1391 CA SEP B 205 13.496 5.828 -6.636 1.00 10.00 C HETATM 1392 CB SEP B 205 14.663 5.439 -7.479 1.00 10.00 C HETATM 1393 OG SEP B 205 15.539 4.550 -6.801 1.00 10.00 O HETATM 1394 C SEP B 205 13.531 7.344 -6.491 1.00 10.00 C HETATM 1395 O SEP B 205 13.074 8.051 -7.381 1.00 10.00 O HETATM 1396 P SEP B 205 16.762 3.927 -7.597 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.619 5.189 -8.085 1.00 10.00 O HETATM 1398 O2P SEP B 205 16.376 3.244 -8.844 1.00 10.00 O HETATM 1399 O3P SEP B 205 17.692 3.158 -6.760 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.307 4.968 -8.395 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.212 6.334 -7.773 1.00 10.00 H new HETATM 0 HA SEP B 205 13.556 5.381 -5.644 1.00 10.00 H new ATOM 1404 N GLU B 206 14.057 7.845 -5.377 1.00 10.00 N ATOM 1405 CA GLU B 206 14.235 9.291 -5.222 1.00 10.00 C ATOM 1406 C GLU B 206 15.086 9.805 -6.389 1.00 10.00 C ATOM 1407 O GLU B 206 16.092 9.180 -6.755 1.00 10.00 O ATOM 1408 CB GLU B 206 14.927 9.626 -3.890 1.00 10.00 C ATOM 1409 CG GLU B 206 15.606 10.997 -3.860 1.00 10.00 C ATOM 1410 CD GLU B 206 14.738 12.119 -4.408 1.00 10.00 C ATOM 1411 OE1 GLU B 206 15.158 12.770 -5.394 1.00 10.00 O ATOM 1412 OE2 GLU B 206 13.638 12.351 -3.875 1.00 10.00 O ATOM 0 H GLU B 206 14.363 7.286 -4.580 1.00 10.00 H new ATOM 0 HA GLU B 206 13.257 9.771 -5.221 1.00 10.00 H new ATOM 0 HB2 GLU B 206 14.189 9.582 -3.089 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.673 8.860 -3.679 1.00 10.00 H new ATOM 0 HG2 GLU B 206 15.884 11.233 -2.833 1.00 10.00 H new ATOM 0 HG3 GLU B 206 16.529 10.948 -4.437 1.00 10.00 H new TER 1419 GLU B 206