USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 854 hydrogens (30 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: A 64 HIS HE2 : A 64 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 129 HEMFE :(H bumps) USER MOD Set 1.1: A 51 HIS : no HD1:sc= 0.834 K(o=0.83,f=-5.7!) USER MOD Set 1.2: A 80 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 40 HIS : no HE2:sc= 0.244 K(o=0.24,f=-2) USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 143:sc= 0.15 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -112:sc= 0.672 (180deg=-0.0245) USER MOD Single : A 21 MET CE :methyl -159:sc= -0.171 (180deg=-0.996) USER MOD Single : A 24 GLN : amide:sc= -0.0125 X(o=-0.013,f=-0.013) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 10:sc= 0.219 USER MOD Single : A 33 THR OG1 : rot -56:sc= 0.174 USER MOD Single : A 38 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.52) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 1.21 (180deg=1.14) USER MOD Single : A 41 ASN : amide:sc= 1.06 K(o=1.1,f=-0.88) USER MOD Single : A 42 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.181 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -0.101 (180deg=-0.559) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HE2:sc= -3.23! C(o=-5!,f=-3.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 72:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0364 F(o=-0.93,f=-0.036) USER MOD Single : A 82 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.26) USER MOD Single : A 89 SER OG : rot 53:sc= 0.351 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 156:sc= -0.375 (180deg=-1.46!) USER MOD Single : A 96 SER OG : rot -109:sc= 0.0971 USER MOD Single : A 97 LYS NZ :NH3+ -173:sc=-0.00185 (180deg=-0.109) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 105 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.6) USER MOD Single : A 111 LYS NZ :NH3+ 148:sc= 1.29 (180deg=0.551) USER MOD Single : A 113 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.3!) USER MOD Single : A 114 LYS NZ :NH3+ -166:sc= 0.735 (180deg=0.603) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0338 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0693 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0.00465 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HEM CMA :methyl 150:sc= -0.375 (180deg=-0.375) USER MOD Single : A 129 HEM CMB :methyl -30:sc= -0.16 (180deg=-2.31!) USER MOD Single : A 129 HEM CMC :methyl -30:sc= -4! (180deg=-6.44!) USER MOD Single : A 129 HEM CMD :methyl 150:sc= -0.243 (180deg=-0.243) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 5.110 -15.151 8.466 1.00 14.68 N ATOM 2 CA MET A 21 5.051 -16.543 8.012 1.00 14.32 C ATOM 3 C MET A 21 6.413 -17.246 8.044 1.00 13.51 C ATOM 4 O MET A 21 6.724 -17.960 9.002 1.00 13.68 O ATOM 5 CB MET A 21 4.472 -16.620 6.606 1.00 14.15 C ATOM 6 CG MET A 21 4.121 -18.033 6.183 1.00 14.65 C ATOM 7 SD MET A 21 3.559 -18.101 4.478 1.00 15.21 S ATOM 8 CE MET A 21 2.119 -17.047 4.601 1.00 15.63 C ATOM 0 HA MET A 21 4.401 -17.065 8.714 1.00 14.32 H new ATOM 0 HB2 MET A 21 3.578 -15.999 6.553 1.00 14.15 H new ATOM 0 HB3 MET A 21 5.191 -16.204 5.900 1.00 14.15 H new ATOM 0 HG2 MET A 21 4.993 -18.675 6.304 1.00 14.65 H new ATOM 0 HG3 MET A 21 3.343 -18.425 6.838 1.00 14.65 H new ATOM 0 HE1 MET A 21 1.443 -17.257 3.772 1.00 15.63 H new ATOM 0 HE2 MET A 21 1.608 -17.238 5.544 1.00 15.63 H new ATOM 0 HE3 MET A 21 2.428 -16.003 4.561 1.00 15.63 H new ATOM 18 N ALA A 22 7.206 -17.060 6.986 1.00 12.77 N ATOM 19 CA ALA A 22 8.473 -17.772 6.841 1.00 12.10 C ATOM 20 C ALA A 22 9.477 -16.951 6.041 1.00 11.21 C ATOM 21 O ALA A 22 10.536 -16.587 6.548 1.00 11.30 O ATOM 22 CB ALA A 22 8.258 -19.122 6.171 1.00 12.20 C ATOM 0 H ALA A 22 6.991 -16.423 6.219 1.00 12.77 H new ATOM 0 HA ALA A 22 8.877 -17.933 7.841 1.00 12.10 H new ATOM 0 HB1 ALA A 22 9.214 -19.636 6.073 1.00 12.20 H new ATOM 0 HB2 ALA A 22 7.582 -19.726 6.777 1.00 12.20 H new ATOM 0 HB3 ALA A 22 7.823 -18.973 5.183 1.00 12.20 H new ATOM 28 N GLU A 23 9.143 -16.658 4.789 1.00 10.56 N ATOM 29 CA GLU A 23 10.042 -15.892 3.937 1.00 9.86 C ATOM 30 C GLU A 23 9.681 -14.414 3.973 1.00 9.83 C ATOM 31 O GLU A 23 8.757 -14.021 4.687 1.00 10.22 O ATOM 32 CB GLU A 23 10.051 -16.423 2.499 1.00 8.92 C ATOM 33 CG GLU A 23 8.673 -16.582 1.885 1.00 9.14 C ATOM 34 CD GLU A 23 8.735 -17.139 0.480 1.00 9.74 C ATOM 35 OE1 GLU A 23 8.846 -18.369 0.337 1.00 10.29 O ATOM 36 OE2 GLU A 23 8.661 -16.347 -0.486 1.00 9.87 O ATOM 0 H GLU A 23 8.267 -16.936 4.347 1.00 10.56 H new ATOM 0 HA GLU A 23 11.052 -16.010 4.329 1.00 9.86 H new ATOM 0 HB2 GLU A 23 10.637 -15.746 1.878 1.00 8.92 H new ATOM 0 HB3 GLU A 23 10.557 -17.388 2.483 1.00 8.92 H new ATOM 0 HG2 GLU A 23 8.073 -17.243 2.510 1.00 9.14 H new ATOM 0 HG3 GLU A 23 8.170 -15.615 1.869 1.00 9.14 H new ATOM 43 N GLN A 24 10.388 -13.600 3.212 1.00 9.65 N ATOM 44 CA GLN A 24 10.212 -12.158 3.305 1.00 9.95 C ATOM 45 C GLN A 24 9.524 -11.588 2.069 1.00 9.30 C ATOM 46 O GLN A 24 8.368 -11.164 2.127 1.00 9.57 O ATOM 47 CB GLN A 24 11.576 -11.493 3.506 1.00 10.36 C ATOM 48 CG GLN A 24 11.527 -9.986 3.716 1.00 11.10 C ATOM 49 CD GLN A 24 10.783 -9.577 4.975 1.00 11.88 C ATOM 50 OE1 GLN A 24 9.579 -9.325 4.949 1.00 12.37 O ATOM 51 NE2 GLN A 24 11.499 -9.502 6.086 1.00 12.20 N ATOM 0 H GLN A 24 11.082 -13.905 2.530 1.00 9.65 H new ATOM 0 HA GLN A 24 9.568 -11.948 4.159 1.00 9.95 H new ATOM 0 HB2 GLN A 24 12.064 -11.950 4.367 1.00 10.36 H new ATOM 0 HB3 GLN A 24 12.199 -11.705 2.637 1.00 10.36 H new ATOM 0 HG2 GLN A 24 12.545 -9.600 3.763 1.00 11.10 H new ATOM 0 HG3 GLN A 24 11.049 -9.522 2.853 1.00 11.10 H new ATOM 0 HE21 GLN A 24 12.495 -9.719 6.066 1.00 12.20 H new ATOM 0 HE22 GLN A 24 11.054 -9.227 6.962 1.00 12.20 H new ATOM 60 N SER A 25 10.232 -11.578 0.951 1.00 8.66 N ATOM 61 CA SER A 25 9.755 -10.898 -0.252 1.00 8.30 C ATOM 62 C SER A 25 9.985 -11.775 -1.479 1.00 7.40 C ATOM 63 O SER A 25 9.760 -11.350 -2.628 1.00 7.32 O ATOM 64 CB SER A 25 10.500 -9.573 -0.403 1.00 8.45 C ATOM 65 OG SER A 25 10.327 -8.774 0.751 1.00 8.80 O ATOM 0 H SER A 25 11.140 -12.032 0.847 1.00 8.66 H new ATOM 0 HA SER A 25 8.686 -10.707 -0.163 1.00 8.30 H new ATOM 0 HB2 SER A 25 11.561 -9.762 -0.566 1.00 8.45 H new ATOM 0 HB3 SER A 25 10.133 -9.040 -1.280 1.00 8.45 H new ATOM 0 HG SER A 25 11.158 -8.292 0.943 1.00 8.80 H new ATOM 71 N ASP A 26 10.450 -12.979 -1.185 1.00 7.02 N ATOM 72 CA ASP A 26 10.973 -13.938 -2.157 1.00 6.51 C ATOM 73 C ASP A 26 9.920 -14.342 -3.165 1.00 5.72 C ATOM 74 O ASP A 26 10.139 -14.249 -4.370 1.00 5.93 O ATOM 75 CB ASP A 26 11.476 -15.178 -1.402 1.00 6.68 C ATOM 76 CG ASP A 26 12.405 -14.819 -0.257 1.00 7.05 C ATOM 77 OD1 ASP A 26 11.930 -14.219 0.740 1.00 7.49 O ATOM 78 OD2 ASP A 26 13.608 -15.129 -0.344 1.00 7.19 O ATOM 0 H ASP A 26 10.476 -13.332 -0.229 1.00 7.02 H new ATOM 0 HA ASP A 26 11.789 -13.468 -2.707 1.00 6.51 H new ATOM 0 HB2 ASP A 26 10.623 -15.735 -1.014 1.00 6.68 H new ATOM 0 HB3 ASP A 26 11.997 -15.837 -2.097 1.00 6.68 H new ATOM 83 N GLU A 27 8.809 -14.846 -2.660 1.00 5.18 N ATOM 84 CA GLU A 27 7.638 -15.166 -3.467 1.00 4.82 C ATOM 85 C GLU A 27 6.486 -14.271 -3.025 1.00 3.91 C ATOM 86 O GLU A 27 5.469 -14.134 -3.707 1.00 4.18 O ATOM 87 CB GLU A 27 7.274 -16.641 -3.244 1.00 5.12 C ATOM 88 CG GLU A 27 6.061 -17.136 -4.023 1.00 5.86 C ATOM 89 CD GLU A 27 6.410 -17.658 -5.398 1.00 6.70 C ATOM 90 OE1 GLU A 27 6.453 -16.862 -6.355 1.00 7.03 O ATOM 91 OE2 GLU A 27 6.612 -18.886 -5.535 1.00 7.26 O ATOM 0 H GLU A 27 8.690 -15.048 -1.667 1.00 5.18 H new ATOM 0 HA GLU A 27 7.841 -15.001 -4.525 1.00 4.82 H new ATOM 0 HB2 GLU A 27 8.133 -17.255 -3.513 1.00 5.12 H new ATOM 0 HB3 GLU A 27 7.091 -16.797 -2.181 1.00 5.12 H new ATOM 0 HG2 GLU A 27 5.570 -17.926 -3.455 1.00 5.86 H new ATOM 0 HG3 GLU A 27 5.343 -16.322 -4.122 1.00 5.86 H new ATOM 98 N ALA A 28 6.681 -13.646 -1.872 1.00 3.15 N ATOM 99 CA ALA A 28 5.610 -12.959 -1.175 1.00 2.43 C ATOM 100 C ALA A 28 5.570 -11.474 -1.491 1.00 1.93 C ATOM 101 O ALA A 28 6.561 -10.761 -1.324 1.00 2.03 O ATOM 102 CB ALA A 28 5.755 -13.160 0.323 1.00 2.71 C ATOM 0 H ALA A 28 7.583 -13.603 -1.398 1.00 3.15 H new ATOM 0 HA ALA A 28 4.671 -13.391 -1.522 1.00 2.43 H new ATOM 0 HB1 ALA A 28 4.947 -12.641 0.840 1.00 2.71 H new ATOM 0 HB2 ALA A 28 5.709 -14.224 0.553 1.00 2.71 H new ATOM 0 HB3 ALA A 28 6.713 -12.759 0.653 1.00 2.71 H new ATOM 108 N VAL A 29 4.408 -11.028 -1.948 1.00 1.65 N ATOM 109 CA VAL A 29 4.119 -9.611 -2.100 1.00 1.29 C ATOM 110 C VAL A 29 3.916 -9.021 -0.713 1.00 1.04 C ATOM 111 O VAL A 29 3.181 -9.591 0.093 1.00 1.10 O ATOM 112 CB VAL A 29 2.845 -9.386 -2.948 1.00 1.34 C ATOM 113 CG1 VAL A 29 2.607 -7.904 -3.199 1.00 1.70 C ATOM 114 CG2 VAL A 29 2.931 -10.147 -4.264 1.00 1.82 C ATOM 0 H VAL A 29 3.640 -11.640 -2.224 1.00 1.65 H new ATOM 0 HA VAL A 29 4.950 -9.128 -2.613 1.00 1.29 H new ATOM 0 HB VAL A 29 1.996 -9.772 -2.384 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.705 -7.777 -3.797 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.486 -7.388 -2.246 1.00 1.70 H new ATOM 0 HG13 VAL A 29 3.459 -7.484 -3.733 1.00 1.70 H new ATOM 0 HG21 VAL A 29 2.024 -9.974 -4.844 1.00 1.82 H new ATOM 0 HG22 VAL A 29 3.795 -9.799 -4.830 1.00 1.82 H new ATOM 0 HG23 VAL A 29 3.035 -11.213 -4.062 1.00 1.82 H new ATOM 124 N LYS A 30 4.576 -7.906 -0.422 1.00 0.90 N ATOM 125 CA LYS A 30 4.536 -7.353 0.925 1.00 0.79 C ATOM 126 C LYS A 30 3.129 -6.937 1.323 1.00 0.63 C ATOM 127 O LYS A 30 2.462 -6.194 0.601 1.00 0.66 O ATOM 128 CB LYS A 30 5.492 -6.169 1.102 1.00 0.87 C ATOM 129 CG LYS A 30 6.962 -6.544 1.013 1.00 1.26 C ATOM 130 CD LYS A 30 7.851 -5.428 1.539 1.00 2.11 C ATOM 131 CE LYS A 30 9.317 -5.832 1.534 1.00 2.93 C ATOM 132 NZ LYS A 30 9.853 -5.997 0.158 1.00 3.71 N ATOM 0 H LYS A 30 5.136 -7.375 -1.089 1.00 0.90 H new ATOM 0 HA LYS A 30 4.866 -8.156 1.584 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.272 -5.420 0.341 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.304 -5.705 2.070 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.142 -7.455 1.584 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.222 -6.761 -0.023 1.00 1.26 H new ATOM 0 HD2 LYS A 30 7.717 -4.536 0.927 1.00 2.11 H new ATOM 0 HD3 LYS A 30 7.548 -5.168 2.553 1.00 2.11 H new ATOM 0 HE2 LYS A 30 9.901 -5.077 2.061 1.00 2.93 H new ATOM 0 HE3 LYS A 30 9.436 -6.767 2.082 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 10.065 -7.001 -0.014 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 9.147 -5.669 -0.531 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 10.723 -5.437 0.055 1.00 3.71 H new ATOM 146 N TYR A 31 2.688 -7.418 2.472 1.00 0.56 N ATOM 147 CA TYR A 31 1.415 -7.007 3.032 1.00 0.49 C ATOM 148 C TYR A 31 1.641 -6.334 4.382 1.00 0.50 C ATOM 149 O TYR A 31 2.509 -6.751 5.148 1.00 0.64 O ATOM 150 CB TYR A 31 0.477 -8.204 3.201 1.00 0.56 C ATOM 151 CG TYR A 31 0.286 -9.022 1.942 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.134 -8.430 0.758 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.531 -10.388 1.943 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.307 -9.178 -0.391 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.359 -11.143 0.799 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.059 -10.535 -0.364 1.00 0.89 C ATOM 157 OH TYR A 31 -0.234 -11.286 -1.505 1.00 1.06 O ATOM 0 H TYR A 31 3.197 -8.098 3.037 1.00 0.56 H new ATOM 0 HA TYR A 31 0.949 -6.302 2.344 1.00 0.49 H new ATOM 0 HB2 TYR A 31 0.869 -8.851 3.986 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.495 -7.845 3.539 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.329 -7.368 0.735 1.00 0.61 H new ATOM 0 HD2 TYR A 31 0.861 -10.868 2.852 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.634 -8.703 -1.304 1.00 0.75 H new ATOM 0 HE2 TYR A 31 0.551 -12.206 0.817 1.00 0.94 H new ATOM 0 HH TYR A 31 -0.016 -12.223 -1.317 1.00 1.06 H new ATOM 167 N TYR A 32 0.886 -5.298 4.673 1.00 0.43 N ATOM 168 CA TYR A 32 1.010 -4.623 5.955 1.00 0.46 C ATOM 169 C TYR A 32 -0.101 -5.071 6.885 1.00 0.53 C ATOM 170 O TYR A 32 -1.025 -5.761 6.461 1.00 0.89 O ATOM 171 CB TYR A 32 0.975 -3.106 5.769 1.00 0.46 C ATOM 172 CG TYR A 32 2.154 -2.574 4.987 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.338 -2.912 3.652 1.00 1.09 C ATOM 174 CD2 TYR A 32 3.090 -1.746 5.589 1.00 0.98 C ATOM 175 CE1 TYR A 32 3.421 -2.444 2.939 1.00 1.20 C ATOM 176 CE2 TYR A 32 4.176 -1.267 4.881 1.00 1.03 C ATOM 177 CZ TYR A 32 4.339 -1.623 3.556 1.00 0.81 C ATOM 178 OH TYR A 32 5.424 -1.160 2.848 1.00 0.96 O ATOM 0 H TYR A 32 0.183 -4.903 4.048 1.00 0.43 H new ATOM 0 HA TYR A 32 1.969 -4.888 6.400 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.053 -2.831 5.256 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.951 -2.627 6.748 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.619 -3.553 3.164 1.00 1.09 H new ATOM 0 HD2 TYR A 32 2.968 -1.472 6.626 1.00 0.98 H new ATOM 0 HE1 TYR A 32 3.549 -2.719 1.903 1.00 1.20 H new ATOM 0 HE2 TYR A 32 4.893 -0.618 5.361 1.00 1.03 H new ATOM 0 HH TYR A 32 5.309 -1.372 1.898 1.00 0.96 H new ATOM 188 N THR A 33 -0.018 -4.716 8.150 1.00 0.48 N ATOM 189 CA THR A 33 -1.105 -5.010 9.064 1.00 0.57 C ATOM 190 C THR A 33 -2.062 -3.829 9.149 1.00 0.56 C ATOM 191 O THR A 33 -1.646 -2.673 9.199 1.00 0.60 O ATOM 192 CB THR A 33 -0.610 -5.404 10.474 1.00 0.72 C ATOM 193 OG1 THR A 33 0.460 -4.556 10.921 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.155 -6.851 10.490 1.00 0.82 C ATOM 0 H THR A 33 0.777 -4.231 8.566 1.00 0.48 H new ATOM 0 HA THR A 33 -1.632 -5.874 8.660 1.00 0.57 H new ATOM 0 HB THR A 33 -1.449 -5.278 11.158 1.00 0.72 H new ATOM 0 HG1 THR A 33 1.191 -4.581 10.269 1.00 0.77 H new ATOM 0 HG21 THR A 33 0.191 -7.113 11.490 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.988 -7.497 10.213 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.660 -6.984 9.778 1.00 0.82 H new ATOM 202 N LEU A 34 -3.355 -4.127 9.142 1.00 0.60 N ATOM 203 CA LEU A 34 -4.379 -3.098 9.260 1.00 0.64 C ATOM 204 C LEU A 34 -4.242 -2.438 10.634 1.00 0.58 C ATOM 205 O LEU A 34 -4.612 -1.283 10.856 1.00 0.59 O ATOM 206 CB LEU A 34 -5.769 -3.729 9.047 1.00 0.86 C ATOM 207 CG LEU A 34 -6.942 -2.748 9.095 1.00 1.02 C ATOM 208 CD1 LEU A 34 -6.890 -1.803 7.908 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.277 -3.480 9.134 1.00 1.46 C ATOM 0 H LEU A 34 -3.720 -5.076 9.056 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.256 -2.329 8.498 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -5.777 -4.234 8.081 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.924 -4.494 9.808 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.854 -2.166 10.013 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -7.731 -1.111 7.956 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -5.956 -1.241 7.931 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -6.945 -2.377 6.983 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.089 -2.754 9.168 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.379 -4.098 8.242 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.319 -4.113 10.020 1.00 1.46 H new ATOM 221 N GLU A 35 -3.648 -3.228 11.532 1.00 0.65 N ATOM 222 CA GLU A 35 -3.355 -2.862 12.913 1.00 0.77 C ATOM 223 C GLU A 35 -2.316 -1.747 13.001 1.00 0.73 C ATOM 224 O GLU A 35 -2.322 -0.942 13.937 1.00 0.88 O ATOM 225 CB GLU A 35 -2.802 -4.092 13.648 1.00 0.94 C ATOM 226 CG GLU A 35 -3.777 -5.258 13.791 1.00 1.41 C ATOM 227 CD GLU A 35 -4.245 -5.831 12.463 1.00 1.91 C ATOM 228 OE1 GLU A 35 -3.411 -5.984 11.543 1.00 2.56 O ATOM 229 OE2 GLU A 35 -5.457 -6.106 12.331 1.00 2.34 O ATOM 0 H GLU A 35 -3.348 -4.176 11.305 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.281 -2.508 13.366 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -1.916 -4.443 13.119 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -2.479 -3.786 14.643 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.301 -6.049 14.370 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -4.646 -4.926 14.359 1.00 1.41 H new ATOM 236 N GLU A 36 -1.379 -1.751 12.050 1.00 0.63 N ATOM 237 CA GLU A 36 -0.231 -0.851 12.100 1.00 0.74 C ATOM 238 C GLU A 36 -0.524 0.450 11.372 1.00 0.67 C ATOM 239 O GLU A 36 0.004 1.502 11.714 1.00 0.82 O ATOM 240 CB GLU A 36 1.008 -1.525 11.496 1.00 0.85 C ATOM 241 CG GLU A 36 1.013 -1.617 9.977 1.00 0.95 C ATOM 242 CD GLU A 36 2.267 -2.280 9.458 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.284 -1.572 9.299 1.00 1.76 O ATOM 244 OE2 GLU A 36 2.231 -3.499 9.185 1.00 1.67 O ATOM 0 H GLU A 36 -1.395 -2.368 11.238 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.033 -0.621 13.147 1.00 0.74 H new ATOM 0 HB2 GLU A 36 1.894 -0.976 11.815 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.092 -2.531 11.906 1.00 0.85 H new ATOM 0 HG2 GLU A 36 0.141 -2.179 9.644 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.929 -0.617 9.552 1.00 0.95 H new ATOM 251 N ILE A 37 -1.359 0.353 10.346 1.00 0.52 N ATOM 252 CA ILE A 37 -1.682 1.492 9.502 1.00 0.50 C ATOM 253 C ILE A 37 -2.694 2.386 10.200 1.00 0.53 C ATOM 254 O ILE A 37 -2.761 3.583 9.941 1.00 0.72 O ATOM 255 CB ILE A 37 -2.215 1.032 8.124 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.166 0.169 7.423 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.576 2.221 7.243 1.00 0.54 C ATOM 258 CD1 ILE A 37 -1.645 -0.438 6.125 1.00 0.72 C ATOM 0 H ILE A 37 -1.828 -0.512 10.078 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.769 2.062 9.329 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.119 0.447 8.291 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.283 0.776 7.225 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -0.859 -0.631 8.096 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -2.947 1.863 6.283 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.348 2.815 7.732 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.691 2.837 7.083 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -0.846 -1.036 5.686 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -2.510 -1.073 6.318 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -1.925 0.356 5.433 1.00 0.72 H new ATOM 270 N GLN A 38 -3.459 1.792 11.108 1.00 0.48 N ATOM 271 CA GLN A 38 -4.379 2.543 11.946 1.00 0.52 C ATOM 272 C GLN A 38 -3.631 3.540 12.815 1.00 0.54 C ATOM 273 O GLN A 38 -4.049 4.679 12.977 1.00 0.64 O ATOM 274 CB GLN A 38 -5.192 1.591 12.814 1.00 0.56 C ATOM 275 CG GLN A 38 -6.594 1.362 12.280 1.00 0.78 C ATOM 276 CD GLN A 38 -7.430 2.632 12.306 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.127 2.910 13.279 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.363 3.419 11.239 1.00 0.74 N ATOM 0 H GLN A 38 -3.458 0.787 11.281 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.057 3.099 11.298 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.673 0.635 12.882 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.254 1.992 13.826 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.536 0.988 11.258 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.086 0.592 12.874 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.774 3.157 10.449 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -7.901 4.285 11.210 1.00 0.74 H new ATOM 287 N LYS A 39 -2.506 3.105 13.364 1.00 0.54 N ATOM 288 CA LYS A 39 -1.711 3.954 14.244 1.00 0.62 C ATOM 289 C LYS A 39 -0.769 4.854 13.444 1.00 0.58 C ATOM 290 O LYS A 39 0.152 5.450 13.996 1.00 0.66 O ATOM 291 CB LYS A 39 -0.937 3.102 15.255 1.00 0.77 C ATOM 292 CG LYS A 39 -0.248 1.884 14.658 1.00 1.28 C ATOM 293 CD LYS A 39 0.565 1.129 15.698 1.00 1.57 C ATOM 294 CE LYS A 39 -0.341 0.577 16.780 1.00 2.08 C ATOM 295 NZ LYS A 39 -0.997 -0.697 16.379 1.00 2.52 N ATOM 0 H LYS A 39 -2.122 2.171 13.217 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.392 4.603 14.795 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.187 3.727 15.739 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -1.625 2.770 16.033 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -0.996 1.218 14.228 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.405 2.198 13.844 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.110 0.314 15.221 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.307 1.793 16.141 1.00 1.57 H new ATOM 0 HE2 LYS A 39 0.240 0.413 17.687 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -1.106 1.316 17.021 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 -1.774 -0.909 17.037 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -1.375 -0.604 15.415 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -0.301 -1.469 16.405 1.00 2.52 H new ATOM 309 N HIS A 40 -1.004 4.928 12.137 1.00 0.53 N ATOM 310 CA HIS A 40 -0.260 5.823 11.250 1.00 0.56 C ATOM 311 C HIS A 40 -1.232 6.820 10.613 1.00 0.65 C ATOM 312 O HIS A 40 -1.150 7.126 9.427 1.00 0.93 O ATOM 313 CB HIS A 40 0.485 5.022 10.160 1.00 0.56 C ATOM 314 CG HIS A 40 1.610 4.176 10.686 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.943 2.946 10.155 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.489 4.391 11.694 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.975 2.445 10.816 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.323 3.303 11.751 1.00 1.80 N ATOM 0 H HIS A 40 -1.714 4.371 11.662 1.00 0.53 H new ATOM 0 HA HIS A 40 0.486 6.364 11.832 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.229 4.380 9.644 1.00 0.56 H new ATOM 0 HB3 HIS A 40 0.882 5.717 9.420 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.468 2.493 9.374 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.526 5.259 12.335 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.450 1.495 10.621 1.00 1.59 H new ATOM 327 N ASN A 41 -2.178 7.283 11.435 1.00 0.56 N ATOM 328 CA ASN A 41 -3.265 8.165 10.987 1.00 0.64 C ATOM 329 C ASN A 41 -3.026 9.601 11.437 1.00 0.82 C ATOM 330 O ASN A 41 -3.862 10.479 11.217 1.00 1.20 O ATOM 331 CB ASN A 41 -4.599 7.702 11.600 1.00 0.69 C ATOM 332 CG ASN A 41 -4.733 8.045 13.087 1.00 1.20 C ATOM 333 OD1 ASN A 41 -5.128 9.152 13.461 1.00 1.76 O ATOM 334 ND2 ASN A 41 -4.439 7.087 13.952 1.00 1.74 N ATOM 0 H ASN A 41 -2.214 7.059 12.429 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.298 8.120 9.898 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.422 8.162 11.052 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.695 6.624 11.473 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -4.537 7.256 14.953 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -4.114 6.180 13.617 1.00 1.74 H new ATOM 341 N HIS A 42 -1.888 9.836 12.074 1.00 0.73 N ATOM 342 CA HIS A 42 -1.746 11.017 12.920 1.00 0.97 C ATOM 343 C HIS A 42 -0.389 11.709 12.777 1.00 1.06 C ATOM 344 O HIS A 42 0.425 11.340 11.948 1.00 1.54 O ATOM 345 CB HIS A 42 -1.971 10.617 14.386 1.00 1.05 C ATOM 346 CG HIS A 42 -1.075 9.508 14.873 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.188 9.272 14.367 1.00 0.81 N ATOM 348 CD2 HIS A 42 -1.272 8.568 15.830 1.00 1.14 C ATOM 349 CE1 HIS A 42 0.726 8.243 14.993 1.00 0.87 C ATOM 350 NE2 HIS A 42 -0.138 7.794 15.885 1.00 1.08 N ATOM 0 H HIS A 42 -1.063 9.239 12.025 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.496 11.737 12.592 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.820 11.493 15.016 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -3.009 10.310 14.511 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -2.157 8.449 16.437 1.00 1.14 H new ATOM 0 HE1 HIS A 42 1.709 7.836 14.807 1.00 0.87 H new ATOM 0 HE2 HIS A 42 0.012 7.003 16.511 1.00 1.08 H new ATOM 359 N SER A 43 -0.158 12.668 13.673 1.00 1.01 N ATOM 360 CA SER A 43 1.032 13.525 13.694 1.00 1.12 C ATOM 361 C SER A 43 2.330 12.768 13.366 1.00 0.97 C ATOM 362 O SER A 43 3.086 13.154 12.476 1.00 1.05 O ATOM 363 CB SER A 43 1.118 14.126 15.098 1.00 1.34 C ATOM 364 OG SER A 43 -0.188 14.264 15.650 1.00 2.00 O ATOM 0 H SER A 43 -0.812 12.878 14.427 1.00 1.01 H new ATOM 0 HA SER A 43 0.933 14.289 12.923 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.727 13.488 15.739 1.00 1.34 H new ATOM 0 HB3 SER A 43 1.609 15.098 15.057 1.00 1.34 H new ATOM 0 HG SER A 43 -0.124 14.648 16.549 1.00 2.00 H new ATOM 370 N LYS A 44 2.568 11.687 14.108 1.00 0.89 N ATOM 371 CA LYS A 44 3.836 10.949 14.053 1.00 0.89 C ATOM 372 C LYS A 44 4.013 10.134 12.767 1.00 0.77 C ATOM 373 O LYS A 44 5.102 9.619 12.515 1.00 0.94 O ATOM 374 CB LYS A 44 3.947 10.032 15.274 1.00 1.01 C ATOM 375 CG LYS A 44 4.298 10.782 16.549 1.00 1.53 C ATOM 376 CD LYS A 44 4.460 9.848 17.737 1.00 2.16 C ATOM 377 CE LYS A 44 5.075 10.576 18.925 1.00 2.63 C ATOM 378 NZ LYS A 44 6.456 11.041 18.624 1.00 3.26 N ATOM 0 H LYS A 44 1.891 11.296 14.764 1.00 0.89 H new ATOM 0 HA LYS A 44 4.634 11.691 14.058 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.002 9.508 15.415 1.00 1.01 H new ATOM 0 HB3 LYS A 44 4.706 9.273 15.084 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.223 11.339 16.398 1.00 1.53 H new ATOM 0 HG3 LYS A 44 3.518 11.512 16.766 1.00 1.53 H new ATOM 0 HD2 LYS A 44 3.489 9.441 18.019 1.00 2.16 H new ATOM 0 HD3 LYS A 44 5.091 9.004 17.457 1.00 2.16 H new ATOM 0 HE2 LYS A 44 4.452 11.430 19.192 1.00 2.63 H new ATOM 0 HE3 LYS A 44 5.094 9.913 19.790 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 6.959 11.235 19.514 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 6.963 10.304 18.094 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 6.413 11.910 18.054 1.00 3.26 H new ATOM 392 N SER A 45 2.954 10.026 11.967 1.00 0.63 N ATOM 393 CA SER A 45 2.985 9.261 10.717 1.00 0.62 C ATOM 394 C SER A 45 1.616 9.287 10.058 1.00 0.65 C ATOM 395 O SER A 45 0.607 9.052 10.726 1.00 1.05 O ATOM 396 CB SER A 45 3.411 7.801 10.948 1.00 0.65 C ATOM 397 OG SER A 45 3.476 7.071 9.732 1.00 1.31 O ATOM 0 H SER A 45 2.054 10.463 12.163 1.00 0.63 H new ATOM 0 HA SER A 45 3.723 9.730 10.066 1.00 0.62 H new ATOM 0 HB2 SER A 45 4.385 7.780 11.437 1.00 0.65 H new ATOM 0 HB3 SER A 45 2.705 7.319 11.624 1.00 0.65 H new ATOM 0 HG SER A 45 3.751 6.149 9.918 1.00 1.31 H new ATOM 403 N THR A 46 1.583 9.534 8.758 1.00 0.43 N ATOM 404 CA THR A 46 0.323 9.598 8.038 1.00 0.42 C ATOM 405 C THR A 46 0.343 8.710 6.793 1.00 0.39 C ATOM 406 O THR A 46 1.034 9.006 5.813 1.00 0.47 O ATOM 407 CB THR A 46 -0.010 11.042 7.619 1.00 0.51 C ATOM 408 OG1 THR A 46 0.153 11.927 8.736 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.439 11.130 7.107 1.00 0.64 C ATOM 0 H THR A 46 2.410 9.693 8.183 1.00 0.43 H new ATOM 0 HA THR A 46 -0.445 9.236 8.721 1.00 0.42 H new ATOM 0 HB THR A 46 0.672 11.336 6.821 1.00 0.51 H new ATOM 0 HG1 THR A 46 -0.059 12.843 8.461 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.658 12.157 6.815 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.557 10.474 6.244 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.127 10.822 7.894 1.00 0.64 H new ATOM 417 N TRP A 47 -0.401 7.614 6.846 1.00 0.37 N ATOM 418 CA TRP A 47 -0.588 6.755 5.684 1.00 0.36 C ATOM 419 C TRP A 47 -2.053 6.748 5.290 1.00 0.37 C ATOM 420 O TRP A 47 -2.867 7.416 5.919 1.00 0.50 O ATOM 421 CB TRP A 47 -0.146 5.311 5.952 1.00 0.37 C ATOM 422 CG TRP A 47 1.325 5.136 6.198 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.298 6.082 6.075 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.986 3.924 6.583 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.524 5.535 6.358 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.359 4.211 6.671 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.551 2.623 6.859 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.298 3.248 7.027 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.488 1.666 7.210 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.847 1.983 7.290 1.00 0.47 C ATOM 0 H TRP A 47 -0.887 7.297 7.685 1.00 0.37 H new ATOM 0 HA TRP A 47 0.031 7.157 4.881 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.692 4.934 6.817 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.433 4.694 5.100 1.00 0.37 H new ATOM 0 HD1 TRP A 47 2.129 7.111 5.796 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.414 6.033 6.339 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.503 2.370 6.799 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.348 3.491 7.094 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 2.164 0.659 7.425 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.555 1.215 7.565 1.00 0.47 H new ATOM 441 N LEU A 48 -2.394 5.991 4.261 1.00 0.31 N ATOM 442 CA LEU A 48 -3.793 5.777 3.918 1.00 0.31 C ATOM 443 C LEU A 48 -3.988 4.448 3.207 1.00 0.28 C ATOM 444 O LEU A 48 -3.022 3.737 2.925 1.00 0.29 O ATOM 445 CB LEU A 48 -4.355 6.907 3.050 1.00 0.37 C ATOM 446 CG LEU A 48 -3.724 7.044 1.660 1.00 0.45 C ATOM 447 CD1 LEU A 48 -4.752 7.547 0.657 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.534 7.987 1.707 1.00 0.55 C ATOM 0 H LEU A 48 -1.728 5.517 3.651 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.342 5.765 4.860 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.427 6.751 2.930 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.228 7.849 3.583 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.377 6.061 1.342 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.288 7.639 -0.325 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -5.582 6.842 0.602 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.124 8.521 0.975 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.098 8.073 0.712 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.862 8.970 2.045 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -1.787 7.596 2.398 1.00 0.55 H new ATOM 460 N ILE A 49 -5.246 4.124 2.919 1.00 0.34 N ATOM 461 CA ILE A 49 -5.590 2.914 2.185 1.00 0.36 C ATOM 462 C ILE A 49 -6.618 3.231 1.102 1.00 0.42 C ATOM 463 O ILE A 49 -7.643 3.868 1.362 1.00 0.65 O ATOM 464 CB ILE A 49 -6.143 1.820 3.135 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.062 1.410 4.136 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.644 0.603 2.358 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.516 0.376 5.142 1.00 0.46 C ATOM 0 H ILE A 49 -6.050 4.691 3.187 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.681 2.533 1.719 1.00 0.36 H new ATOM 0 HB ILE A 49 -6.994 2.235 3.675 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.205 1.018 3.589 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -4.721 2.297 4.670 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.024 -0.143 3.056 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.442 0.907 1.681 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.823 0.176 1.782 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -4.693 0.138 5.816 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.353 0.771 5.717 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -5.829 -0.528 4.619 1.00 0.46 H new ATOM 479 N LEU A 50 -6.328 2.813 -0.117 1.00 0.41 N ATOM 480 CA LEU A 50 -7.243 3.004 -1.232 1.00 0.53 C ATOM 481 C LEU A 50 -7.582 1.660 -1.857 1.00 0.78 C ATOM 482 O LEU A 50 -6.751 1.080 -2.560 1.00 1.77 O ATOM 483 CB LEU A 50 -6.622 3.931 -2.278 1.00 0.49 C ATOM 484 CG LEU A 50 -6.523 5.402 -1.874 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.909 6.215 -3.001 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.898 5.948 -1.500 1.00 0.99 C ATOM 0 H LEU A 50 -5.461 2.336 -0.363 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.158 3.465 -0.861 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.621 3.568 -2.512 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.209 3.862 -3.194 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.877 5.482 -0.999 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.844 7.261 -2.701 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.910 5.837 -3.220 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.532 6.131 -3.892 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.808 6.996 -1.215 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.569 5.860 -2.355 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.300 5.378 -0.663 1.00 0.99 H new ATOM 498 N HIS A 51 -8.789 1.165 -1.576 1.00 0.67 N ATOM 499 CA HIS A 51 -9.231 -0.169 -2.010 1.00 0.73 C ATOM 500 C HIS A 51 -8.507 -1.271 -1.240 1.00 0.82 C ATOM 501 O HIS A 51 -9.127 -2.067 -0.550 1.00 1.80 O ATOM 502 CB HIS A 51 -9.019 -0.395 -3.513 1.00 0.79 C ATOM 503 CG HIS A 51 -9.979 0.337 -4.389 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.976 -0.297 -5.093 1.00 1.87 N ATOM 505 CD2 HIS A 51 -10.071 1.648 -4.706 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.637 0.590 -5.807 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.108 1.778 -5.589 1.00 2.30 N ATOM 0 H HIS A 51 -9.491 1.676 -1.041 1.00 0.67 H new ATOM 0 HA HIS A 51 -10.300 -0.213 -1.799 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.005 -0.092 -3.774 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.097 -1.462 -3.722 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.444 2.444 -4.332 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.471 0.380 -6.460 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -11.421 2.652 -6.010 1.00 2.30 H new ATOM 516 N HIS A 52 -7.190 -1.306 -1.380 1.00 0.46 N ATOM 517 CA HIS A 52 -6.368 -2.380 -0.825 1.00 0.42 C ATOM 518 C HIS A 52 -4.997 -1.867 -0.454 1.00 0.43 C ATOM 519 O HIS A 52 -4.363 -2.349 0.478 1.00 0.81 O ATOM 520 CB HIS A 52 -6.158 -3.475 -1.865 1.00 0.58 C ATOM 521 CG HIS A 52 -7.094 -4.627 -1.768 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.191 -4.830 -1.003 1.00 1.75 N flip ATOM 523 CD2 HIS A 52 -6.944 -5.762 -2.530 1.00 1.81 C flip ATOM 524 CE1 HIS A 52 -8.679 -6.069 -1.321 1.00 2.34 C flip ATOM 525 NE2 HIS A 52 -7.910 -6.608 -2.244 1.00 2.36 N flip ATOM 0 H HIS A 52 -6.658 -0.594 -1.880 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.888 -2.763 0.053 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.251 -3.034 -2.858 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -5.138 -3.848 -1.776 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -8.581 -4.182 -0.318 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -6.157 -5.932 -3.250 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -9.553 -6.530 -0.885 1.00 2.34 H new ATOM 534 N LYS A 53 -4.530 -0.907 -1.229 1.00 0.33 N ATOM 535 CA LYS A 53 -3.132 -0.552 -1.214 1.00 0.36 C ATOM 536 C LYS A 53 -2.836 0.550 -0.213 1.00 0.29 C ATOM 537 O LYS A 53 -3.532 1.568 -0.166 1.00 0.32 O ATOM 538 CB LYS A 53 -2.688 -0.181 -2.632 1.00 0.45 C ATOM 539 CG LYS A 53 -2.911 -1.330 -3.608 1.00 0.66 C ATOM 540 CD LYS A 53 -3.383 -0.861 -4.977 1.00 0.95 C ATOM 541 CE LYS A 53 -2.243 -0.335 -5.824 1.00 1.25 C ATOM 542 NZ LYS A 53 -2.640 -0.201 -7.252 1.00 1.76 N ATOM 0 H LYS A 53 -5.101 -0.362 -1.875 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.554 -1.415 -0.883 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.240 0.696 -2.969 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.632 0.091 -2.624 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -1.982 -1.889 -3.721 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.648 -2.017 -3.191 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.868 -1.688 -5.496 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -4.133 -0.079 -4.853 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -1.922 0.634 -5.442 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -1.389 -1.008 -5.744 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -1.836 0.161 -7.803 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -2.923 -1.131 -7.622 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -3.439 0.460 -7.330 1.00 1.76 H new ATOM 556 N VAL A 54 -1.814 0.322 0.589 1.00 0.27 N ATOM 557 CA VAL A 54 -1.357 1.298 1.559 1.00 0.25 C ATOM 558 C VAL A 54 -0.454 2.314 0.864 1.00 0.23 C ATOM 559 O VAL A 54 0.399 1.948 0.039 1.00 0.25 O ATOM 560 CB VAL A 54 -0.601 0.615 2.726 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.556 -0.224 2.210 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.104 1.643 3.734 1.00 0.32 C ATOM 0 H VAL A 54 -1.277 -0.545 0.586 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.224 1.807 1.980 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.305 -0.046 3.232 1.00 0.28 H new ATOM 0 HG11 VAL A 54 1.069 -0.692 3.050 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.176 -0.996 1.541 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.254 0.414 1.668 1.00 0.30 H new ATOM 0 HG21 VAL A 54 0.423 1.135 4.542 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.574 2.339 3.240 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -0.953 2.192 4.143 1.00 0.32 H new ATOM 572 N TYR A 55 -0.673 3.582 1.156 1.00 0.23 N ATOM 573 CA TYR A 55 0.144 4.639 0.592 1.00 0.25 C ATOM 574 C TYR A 55 0.858 5.381 1.702 1.00 0.27 C ATOM 575 O TYR A 55 0.290 5.588 2.775 1.00 0.35 O ATOM 576 CB TYR A 55 -0.693 5.634 -0.218 1.00 0.27 C ATOM 577 CG TYR A 55 -1.410 5.033 -1.400 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.584 4.310 -1.236 1.00 0.74 C ATOM 579 CD2 TYR A 55 -0.918 5.202 -2.684 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.242 3.769 -2.318 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.574 4.667 -3.772 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.733 3.949 -3.585 1.00 0.42 C ATOM 583 OH TYR A 55 -3.393 3.416 -4.668 1.00 0.49 O ATOM 0 H TYR A 55 -1.411 3.905 1.781 1.00 0.23 H new ATOM 0 HA TYR A 55 0.866 4.174 -0.079 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.429 6.092 0.443 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.042 6.433 -0.572 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.988 4.170 -0.244 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.007 5.761 -2.835 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -4.153 3.206 -2.174 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.180 4.811 -4.767 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.904 3.634 -5.489 1.00 0.49 H new ATOM 593 N ASP A 56 2.086 5.777 1.453 1.00 0.34 N ATOM 594 CA ASP A 56 2.824 6.584 2.406 1.00 0.38 C ATOM 595 C ASP A 56 2.769 8.035 1.970 1.00 0.38 C ATOM 596 O ASP A 56 2.922 8.327 0.785 1.00 0.48 O ATOM 597 CB ASP A 56 4.279 6.110 2.500 1.00 0.47 C ATOM 598 CG ASP A 56 5.094 6.825 3.564 1.00 0.63 C ATOM 599 OD1 ASP A 56 5.325 8.045 3.416 1.00 0.94 O ATOM 600 OD2 ASP A 56 5.492 6.181 4.553 1.00 1.32 O ATOM 0 H ASP A 56 2.597 5.555 0.599 1.00 0.34 H new ATOM 0 HA ASP A 56 2.373 6.482 3.393 1.00 0.38 H new ATOM 0 HB2 ASP A 56 4.289 5.040 2.707 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.760 6.252 1.532 1.00 0.47 H new ATOM 605 N LEU A 57 2.512 8.948 2.885 1.00 0.37 N ATOM 606 CA LEU A 57 2.589 10.354 2.536 1.00 0.39 C ATOM 607 C LEU A 57 3.809 10.980 3.181 1.00 0.51 C ATOM 608 O LEU A 57 4.736 11.407 2.492 1.00 1.12 O ATOM 609 CB LEU A 57 1.332 11.111 2.952 1.00 0.45 C ATOM 610 CG LEU A 57 0.017 10.488 2.491 1.00 0.53 C ATOM 611 CD1 LEU A 57 -1.155 11.281 3.040 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.040 10.424 0.969 1.00 1.27 C ATOM 0 H LEU A 57 2.254 8.751 3.852 1.00 0.37 H new ATOM 0 HA LEU A 57 2.672 10.423 1.451 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.317 11.189 4.039 1.00 0.45 H new ATOM 0 HB3 LEU A 57 1.392 12.126 2.560 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.043 9.469 2.875 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.089 10.829 2.706 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -1.119 11.276 4.129 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -1.100 12.308 2.680 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -0.984 9.977 0.659 1.00 1.27 H new ATOM 0 HD22 LEU A 57 0.037 11.431 0.559 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.787 9.818 0.599 1.00 1.27 H new ATOM 624 N THR A 58 3.782 10.987 4.515 1.00 0.54 N ATOM 625 CA THR A 58 4.851 11.515 5.373 1.00 0.56 C ATOM 626 C THR A 58 5.341 12.919 4.978 1.00 0.66 C ATOM 627 O THR A 58 5.023 13.895 5.651 1.00 1.15 O ATOM 628 CB THR A 58 6.027 10.534 5.457 1.00 0.65 C ATOM 629 OG1 THR A 58 5.537 9.222 5.763 1.00 1.43 O ATOM 630 CG2 THR A 58 7.000 10.962 6.538 1.00 1.12 C ATOM 0 H THR A 58 2.994 10.615 5.046 1.00 0.54 H new ATOM 0 HA THR A 58 4.402 11.624 6.360 1.00 0.56 H new ATOM 0 HB THR A 58 6.542 10.527 4.496 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.074 8.855 4.981 1.00 1.43 H new ATOM 0 HG21 THR A 58 7.828 10.254 6.583 1.00 1.12 H new ATOM 0 HG22 THR A 58 7.384 11.956 6.309 1.00 1.12 H new ATOM 0 HG23 THR A 58 6.488 10.984 7.500 1.00 1.12 H new ATOM 638 N LYS A 59 6.136 13.023 3.920 1.00 0.57 N ATOM 639 CA LYS A 59 6.560 14.324 3.413 1.00 0.58 C ATOM 640 C LYS A 59 5.418 15.004 2.675 1.00 0.48 C ATOM 641 O LYS A 59 5.292 16.227 2.674 1.00 0.54 O ATOM 642 CB LYS A 59 7.752 14.177 2.475 1.00 0.69 C ATOM 643 CG LYS A 59 9.042 13.835 3.185 1.00 1.37 C ATOM 644 CD LYS A 59 10.204 13.813 2.214 1.00 1.96 C ATOM 645 CE LYS A 59 11.532 13.670 2.934 1.00 2.58 C ATOM 646 NZ LYS A 59 11.692 12.330 3.553 1.00 3.59 N ATOM 0 H LYS A 59 6.499 12.226 3.398 1.00 0.57 H new ATOM 0 HA LYS A 59 6.854 14.936 4.266 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.533 13.400 1.742 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.886 15.107 1.923 1.00 0.69 H new ATOM 0 HG2 LYS A 59 9.234 14.565 3.971 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.949 12.863 3.669 1.00 1.37 H new ATOM 0 HD2 LYS A 59 10.078 12.987 1.514 1.00 1.96 H new ATOM 0 HD3 LYS A 59 10.205 14.731 1.626 1.00 1.96 H new ATOM 0 HE2 LYS A 59 12.346 13.843 2.230 1.00 2.58 H new ATOM 0 HE3 LYS A 59 11.610 14.436 3.705 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 12.613 12.277 4.034 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 10.931 12.174 4.245 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 11.644 11.599 2.815 1.00 3.59 H new ATOM 660 N PHE A 60 4.580 14.165 2.052 1.00 0.40 N ATOM 661 CA PHE A 60 3.585 14.608 1.071 1.00 0.35 C ATOM 662 C PHE A 60 2.514 15.475 1.715 1.00 0.36 C ATOM 663 O PHE A 60 1.732 16.114 1.015 1.00 0.40 O ATOM 664 CB PHE A 60 2.932 13.387 0.388 1.00 0.37 C ATOM 665 CG PHE A 60 2.102 13.705 -0.835 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.678 14.271 -1.965 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.741 13.422 -0.857 1.00 1.62 C ATOM 668 CE1 PHE A 60 1.913 14.549 -3.087 1.00 1.72 C ATOM 669 CE2 PHE A 60 -0.024 13.697 -1.977 1.00 2.01 C ATOM 670 CZ PHE A 60 0.562 14.260 -3.092 1.00 1.72 C ATOM 0 H PHE A 60 4.574 13.158 2.216 1.00 0.40 H new ATOM 0 HA PHE A 60 4.101 15.210 0.323 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.717 12.686 0.103 1.00 0.37 H new ATOM 0 HB3 PHE A 60 2.299 12.878 1.115 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.734 14.497 -1.970 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.274 12.982 0.012 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.373 14.992 -3.958 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -1.080 13.471 -1.978 1.00 2.01 H new ATOM 0 HZ PHE A 60 -0.034 14.474 -3.967 1.00 1.72 H new ATOM 680 N LEU A 61 2.531 15.527 3.041 1.00 0.38 N ATOM 681 CA LEU A 61 1.467 16.140 3.828 1.00 0.44 C ATOM 682 C LEU A 61 1.150 17.581 3.405 1.00 0.47 C ATOM 683 O LEU A 61 0.009 18.031 3.519 1.00 0.60 O ATOM 684 CB LEU A 61 1.852 16.111 5.307 1.00 0.50 C ATOM 685 CG LEU A 61 2.039 14.714 5.906 1.00 0.56 C ATOM 686 CD1 LEU A 61 2.428 14.821 7.371 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.770 13.892 5.743 1.00 0.61 C ATOM 0 H LEU A 61 3.289 15.142 3.605 1.00 0.38 H new ATOM 0 HA LEU A 61 0.563 15.557 3.650 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.778 16.671 5.436 1.00 0.50 H new ATOM 0 HB3 LEU A 61 1.083 16.633 5.876 1.00 0.50 H new ATOM 0 HG LEU A 61 2.843 14.207 5.372 1.00 0.56 H new ATOM 0 HD11 LEU A 61 2.558 13.822 7.787 1.00 0.72 H new ATOM 0 HD12 LEU A 61 3.362 15.376 7.460 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.643 15.342 7.919 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.920 12.902 6.174 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.054 14.389 6.255 1.00 0.61 H new ATOM 0 HD23 LEU A 61 0.533 13.794 4.684 1.00 0.61 H new ATOM 699 N GLU A 62 2.162 18.304 2.939 1.00 0.46 N ATOM 700 CA GLU A 62 2.028 19.740 2.703 1.00 0.55 C ATOM 701 C GLU A 62 1.821 20.053 1.224 1.00 0.53 C ATOM 702 O GLU A 62 1.292 21.103 0.860 1.00 0.72 O ATOM 703 CB GLU A 62 3.276 20.455 3.228 1.00 0.68 C ATOM 704 CG GLU A 62 4.565 19.999 2.560 1.00 0.99 C ATOM 705 CD GLU A 62 5.787 20.757 3.042 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.858 21.984 2.814 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.687 20.134 3.641 1.00 1.62 O ATOM 0 H GLU A 62 3.082 17.923 2.717 1.00 0.46 H new ATOM 0 HA GLU A 62 1.146 20.095 3.235 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.159 21.528 3.079 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.355 20.289 4.302 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.708 18.935 2.748 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.471 20.122 1.481 1.00 0.99 H new ATOM 714 N GLU A 63 2.257 19.120 0.384 1.00 0.42 N ATOM 715 CA GLU A 63 2.336 19.327 -1.062 1.00 0.48 C ATOM 716 C GLU A 63 0.998 19.057 -1.745 1.00 0.46 C ATOM 717 O GLU A 63 0.756 19.525 -2.863 1.00 0.66 O ATOM 718 CB GLU A 63 3.407 18.406 -1.649 1.00 0.59 C ATOM 719 CG GLU A 63 4.817 18.712 -1.163 1.00 1.05 C ATOM 720 CD GLU A 63 5.334 20.037 -1.685 1.00 1.31 C ATOM 721 OE1 GLU A 63 5.888 20.068 -2.800 1.00 2.03 O ATOM 722 OE2 GLU A 63 5.192 21.053 -0.971 1.00 1.83 O ATOM 0 H GLU A 63 2.567 18.196 0.685 1.00 0.42 H new ATOM 0 HA GLU A 63 2.597 20.370 -1.240 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.162 17.374 -1.398 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.383 18.483 -2.736 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.828 18.725 -0.073 1.00 1.05 H new ATOM 0 HG3 GLU A 63 5.488 17.913 -1.479 1.00 1.05 H new ATOM 729 N HIS A 64 0.151 18.275 -1.074 1.00 0.33 N ATOM 730 CA HIS A 64 -1.171 17.922 -1.587 1.00 0.32 C ATOM 731 C HIS A 64 -2.146 19.074 -1.363 1.00 0.42 C ATOM 732 O HIS A 64 -2.079 19.739 -0.328 1.00 0.52 O ATOM 733 CB HIS A 64 -1.664 16.643 -0.891 1.00 0.38 C ATOM 734 CG HIS A 64 -3.010 16.063 -1.302 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.193 16.283 -0.617 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.298 15.232 -2.362 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.171 15.598 -1.241 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.661 14.956 -2.298 1.00 0.36 N ATOM 0 H HIS A 64 0.363 17.870 -0.162 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.109 17.736 -2.659 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.910 15.871 -1.044 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.703 16.843 0.180 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -4.305 16.863 0.215 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.601 14.865 -3.101 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.206 15.571 -0.935 1.00 0.43 H new ATOM 746 N PRO A 65 -3.043 19.334 -2.343 1.00 0.51 N ATOM 747 CA PRO A 65 -4.050 20.404 -2.256 1.00 0.73 C ATOM 748 C PRO A 65 -4.722 20.473 -0.883 1.00 0.90 C ATOM 749 O PRO A 65 -4.771 21.534 -0.256 1.00 1.46 O ATOM 750 CB PRO A 65 -5.052 20.007 -3.341 1.00 0.96 C ATOM 751 CG PRO A 65 -4.220 19.335 -4.376 1.00 0.81 C ATOM 752 CD PRO A 65 -3.128 18.613 -3.630 1.00 0.55 C ATOM 0 HA PRO A 65 -3.618 21.396 -2.392 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.819 19.338 -2.950 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -5.566 20.878 -3.747 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.817 18.638 -4.964 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.802 20.062 -5.072 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.372 17.561 -3.484 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -2.183 18.649 -4.172 1.00 0.55 H new ATOM 760 N GLY A 66 -5.219 19.334 -0.417 1.00 1.08 N ATOM 761 CA GLY A 66 -5.801 19.263 0.910 1.00 1.38 C ATOM 762 C GLY A 66 -4.743 18.981 1.957 1.00 1.38 C ATOM 763 O GLY A 66 -4.284 17.851 2.087 1.00 2.03 O ATOM 0 H GLY A 66 -5.229 18.456 -0.936 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.303 20.202 1.141 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.560 18.481 0.936 1.00 1.38 H new ATOM 767 N GLY A 67 -4.361 20.008 2.702 1.00 1.25 N ATOM 768 CA GLY A 67 -3.230 19.899 3.604 1.00 1.70 C ATOM 769 C GLY A 67 -3.535 19.178 4.905 1.00 1.24 C ATOM 770 O GLY A 67 -4.613 19.342 5.472 1.00 1.66 O ATOM 0 H GLY A 67 -4.816 20.921 2.698 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -2.422 19.376 3.093 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -2.866 20.900 3.834 1.00 1.70 H new ATOM 774 N GLU A 68 -2.564 18.362 5.331 1.00 1.38 N ATOM 775 CA GLU A 68 -2.522 17.697 6.646 1.00 1.18 C ATOM 776 C GLU A 68 -3.878 17.191 7.155 1.00 0.94 C ATOM 777 O GLU A 68 -4.208 16.018 6.987 1.00 0.98 O ATOM 778 CB GLU A 68 -1.895 18.617 7.701 1.00 1.50 C ATOM 779 CG GLU A 68 -1.578 17.896 9.003 1.00 1.48 C ATOM 780 CD GLU A 68 -1.137 18.831 10.108 1.00 2.09 C ATOM 781 OE1 GLU A 68 0.053 19.220 10.126 1.00 2.88 O ATOM 782 OE2 GLU A 68 -1.973 19.188 10.963 1.00 2.25 O ATOM 0 H GLU A 68 -1.755 18.136 4.752 1.00 1.38 H new ATOM 0 HA GLU A 68 -1.904 16.813 6.490 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -0.979 19.050 7.299 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -2.576 19.443 7.906 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.460 17.346 9.331 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.794 17.161 8.823 1.00 1.48 H new ATOM 789 N GLU A 69 -4.645 18.081 7.781 1.00 0.91 N ATOM 790 CA GLU A 69 -5.839 17.697 8.535 1.00 0.84 C ATOM 791 C GLU A 69 -6.823 16.897 7.688 1.00 0.75 C ATOM 792 O GLU A 69 -7.346 15.869 8.121 1.00 0.78 O ATOM 793 CB GLU A 69 -6.522 18.935 9.117 1.00 0.97 C ATOM 794 CG GLU A 69 -7.674 18.589 10.049 1.00 1.64 C ATOM 795 CD GLU A 69 -8.122 19.760 10.896 1.00 1.97 C ATOM 796 OE1 GLU A 69 -8.777 20.676 10.355 1.00 2.27 O ATOM 797 OE2 GLU A 69 -7.834 19.758 12.114 1.00 2.63 O ATOM 0 H GLU A 69 -4.459 19.084 7.781 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.513 17.050 9.350 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.787 19.528 9.660 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.894 19.556 8.302 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -8.517 18.232 9.458 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.372 17.770 10.702 1.00 1.64 H new ATOM 804 N VAL A 70 -7.055 17.371 6.467 1.00 0.79 N ATOM 805 CA VAL A 70 -8.059 16.781 5.593 1.00 0.86 C ATOM 806 C VAL A 70 -7.575 15.432 5.052 1.00 0.82 C ATOM 807 O VAL A 70 -8.358 14.651 4.517 1.00 1.01 O ATOM 808 CB VAL A 70 -8.417 17.733 4.427 1.00 1.09 C ATOM 809 CG1 VAL A 70 -9.679 17.272 3.710 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.592 19.156 4.933 1.00 1.41 C ATOM 0 H VAL A 70 -6.559 18.164 6.061 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.961 16.618 6.183 1.00 0.86 H new ATOM 0 HB VAL A 70 -7.592 17.712 3.714 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -9.907 17.960 2.896 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -9.524 16.271 3.307 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -10.511 17.255 4.413 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -8.843 19.811 4.098 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -9.394 19.184 5.670 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -7.664 19.495 5.393 1.00 1.41 H new ATOM 820 N LEU A 71 -6.276 15.173 5.204 1.00 0.72 N ATOM 821 CA LEU A 71 -5.703 13.871 4.879 1.00 0.74 C ATOM 822 C LEU A 71 -5.963 12.933 6.045 1.00 0.70 C ATOM 823 O LEU A 71 -6.430 11.812 5.894 1.00 0.77 O ATOM 824 CB LEU A 71 -4.191 13.986 4.616 1.00 0.84 C ATOM 825 CG LEU A 71 -3.810 14.853 3.417 1.00 1.10 C ATOM 826 CD1 LEU A 71 -2.304 15.027 3.336 1.00 1.62 C ATOM 827 CD2 LEU A 71 -4.343 14.244 2.128 1.00 1.69 C ATOM 0 H LEU A 71 -5.600 15.853 5.552 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.167 13.484 3.972 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -3.712 14.393 5.507 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -3.786 12.985 4.465 1.00 0.84 H new ATOM 0 HG LEU A 71 -4.262 15.836 3.550 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -2.055 15.648 2.475 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -1.944 15.507 4.246 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -1.830 14.051 3.229 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.062 14.875 1.284 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -3.920 13.249 1.994 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -5.429 14.172 2.182 1.00 1.69 H new ATOM 839 N ARG A 72 -5.635 13.487 7.229 1.00 0.70 N ATOM 840 CA ARG A 72 -5.686 12.811 8.531 1.00 0.78 C ATOM 841 C ARG A 72 -7.015 12.111 8.776 1.00 0.92 C ATOM 842 O ARG A 72 -7.050 10.977 9.242 1.00 1.03 O ATOM 843 CB ARG A 72 -5.437 13.838 9.651 1.00 0.77 C ATOM 844 CG ARG A 72 -5.754 13.316 11.050 1.00 1.42 C ATOM 845 CD ARG A 72 -5.518 14.374 12.128 1.00 1.49 C ATOM 846 NE ARG A 72 -6.056 13.983 13.440 1.00 2.11 N ATOM 847 CZ ARG A 72 -6.048 14.783 14.513 1.00 2.48 C ATOM 848 NH1 ARG A 72 -5.485 15.984 14.444 1.00 2.24 N ATOM 849 NH2 ARG A 72 -6.605 14.388 15.657 1.00 3.47 N ATOM 0 H ARG A 72 -5.316 14.453 7.302 1.00 0.70 H new ATOM 0 HA ARG A 72 -4.910 12.046 8.529 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -4.393 14.151 9.618 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.042 14.724 9.459 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -6.793 12.988 11.087 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -5.136 12.443 11.259 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -4.448 14.559 12.220 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -5.978 15.312 11.817 1.00 1.49 H new ATOM 0 HE ARG A 72 -6.457 13.050 13.537 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -5.058 16.298 13.572 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -5.480 16.593 15.263 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -7.043 13.469 15.721 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -6.594 15.005 16.469 1.00 3.47 H new ATOM 863 N GLU A 73 -8.098 12.854 8.498 1.00 1.13 N ATOM 864 CA GLU A 73 -9.476 12.422 8.769 1.00 1.55 C ATOM 865 C GLU A 73 -9.812 11.117 8.048 1.00 1.28 C ATOM 866 O GLU A 73 -10.686 10.370 8.479 1.00 1.60 O ATOM 867 CB GLU A 73 -10.464 13.530 8.348 1.00 1.97 C ATOM 868 CG GLU A 73 -11.928 13.199 8.630 1.00 2.63 C ATOM 869 CD GLU A 73 -12.891 14.276 8.159 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.994 14.499 6.935 1.00 3.65 O ATOM 871 OE2 GLU A 73 -13.567 14.892 9.018 1.00 3.55 O ATOM 0 H GLU A 73 -8.040 13.780 8.075 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.566 12.240 9.840 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.204 14.451 8.869 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.345 13.722 7.282 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -12.181 12.257 8.142 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -12.059 13.048 9.702 1.00 2.63 H new ATOM 878 N GLN A 74 -9.117 10.861 6.945 1.00 0.77 N ATOM 879 CA GLN A 74 -9.376 9.690 6.113 1.00 0.62 C ATOM 880 C GLN A 74 -8.129 8.816 6.016 1.00 0.56 C ATOM 881 O GLN A 74 -8.053 7.902 5.193 1.00 0.64 O ATOM 882 CB GLN A 74 -9.795 10.148 4.719 1.00 0.63 C ATOM 883 CG GLN A 74 -11.092 10.942 4.699 1.00 0.76 C ATOM 884 CD GLN A 74 -12.307 10.137 5.138 1.00 1.00 C ATOM 885 OE1 GLN A 74 -12.278 8.827 4.923 1.00 1.57 O flip ATOM 886 NE2 GLN A 74 -13.268 10.687 5.667 1.00 1.68 N flip ATOM 0 H GLN A 74 -8.362 11.455 6.603 1.00 0.77 H new ATOM 0 HA GLN A 74 -10.175 9.102 6.565 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.999 10.759 4.293 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.905 9.274 4.077 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.987 11.810 5.350 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -11.262 11.319 3.691 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -13.259 11.696 5.818 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -14.076 10.135 5.956 1.00 1.68 H new ATOM 895 N ALA A 75 -7.155 9.123 6.862 1.00 0.55 N ATOM 896 CA ALA A 75 -5.854 8.475 6.823 1.00 0.58 C ATOM 897 C ALA A 75 -5.788 7.339 7.830 1.00 0.52 C ATOM 898 O ALA A 75 -6.407 7.403 8.887 1.00 0.70 O ATOM 899 CB ALA A 75 -4.762 9.494 7.106 1.00 0.70 C ATOM 0 H ALA A 75 -7.246 9.828 7.594 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.703 8.056 5.828 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.789 9.003 7.076 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.795 10.281 6.353 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.918 9.930 8.093 1.00 0.70 H new ATOM 905 N GLY A 76 -5.037 6.302 7.488 1.00 0.49 N ATOM 906 CA GLY A 76 -4.912 5.149 8.354 1.00 0.58 C ATOM 907 C GLY A 76 -6.012 4.136 8.120 1.00 0.48 C ATOM 908 O GLY A 76 -6.036 3.079 8.751 1.00 0.72 O ATOM 0 H GLY A 76 -4.508 6.240 6.618 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -3.944 4.676 8.189 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -4.935 5.474 9.394 1.00 0.58 H new ATOM 912 N GLY A 77 -6.930 4.459 7.224 1.00 0.42 N ATOM 913 CA GLY A 77 -7.960 3.527 6.847 1.00 0.52 C ATOM 914 C GLY A 77 -8.310 3.698 5.398 1.00 0.44 C ATOM 915 O GLY A 77 -7.569 4.352 4.665 1.00 0.78 O ATOM 0 H GLY A 77 -6.976 5.360 6.749 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.622 2.507 7.029 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.845 3.684 7.463 1.00 0.52 H new ATOM 919 N ASP A 78 -9.419 3.130 4.963 1.00 0.55 N ATOM 920 CA ASP A 78 -9.828 3.297 3.585 1.00 0.72 C ATOM 921 C ASP A 78 -10.478 4.659 3.389 1.00 0.67 C ATOM 922 O ASP A 78 -11.355 5.063 4.156 1.00 1.04 O ATOM 923 CB ASP A 78 -10.751 2.165 3.117 1.00 1.14 C ATOM 924 CG ASP A 78 -12.125 2.205 3.760 1.00 1.82 C ATOM 925 OD1 ASP A 78 -12.232 1.965 4.982 1.00 2.59 O ATOM 926 OD2 ASP A 78 -13.110 2.471 3.038 1.00 2.28 O ATOM 0 H ASP A 78 -10.042 2.559 5.534 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.934 3.247 2.964 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.863 2.221 2.034 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -10.281 1.207 3.340 1.00 1.14 H new ATOM 931 N ALA A 79 -10.039 5.372 2.373 1.00 0.54 N ATOM 932 CA ALA A 79 -10.639 6.646 2.030 1.00 0.58 C ATOM 933 C ALA A 79 -11.353 6.532 0.685 1.00 0.56 C ATOM 934 O ALA A 79 -11.658 7.528 0.029 1.00 0.67 O ATOM 935 CB ALA A 79 -9.574 7.730 1.984 1.00 0.73 C ATOM 0 H ALA A 79 -9.267 5.091 1.768 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.370 6.918 2.792 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -10.036 8.683 1.725 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -9.096 7.812 2.960 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.826 7.474 1.234 1.00 0.73 H new ATOM 941 N THR A 80 -11.653 5.295 0.303 1.00 0.54 N ATOM 942 CA THR A 80 -12.053 4.980 -1.064 1.00 0.60 C ATOM 943 C THR A 80 -13.452 5.504 -1.415 1.00 0.65 C ATOM 944 O THR A 80 -13.819 5.525 -2.585 1.00 0.84 O ATOM 945 CB THR A 80 -11.975 3.454 -1.326 1.00 0.66 C ATOM 946 OG1 THR A 80 -11.954 3.183 -2.735 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.145 2.721 -0.680 1.00 0.70 C ATOM 0 H THR A 80 -11.626 4.488 0.927 1.00 0.54 H new ATOM 0 HA THR A 80 -11.345 5.495 -1.714 1.00 0.60 H new ATOM 0 HB THR A 80 -11.050 3.092 -0.878 1.00 0.66 H new ATOM 0 HG1 THR A 80 -12.064 2.221 -2.885 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.061 1.653 -0.882 1.00 0.70 H new ATOM 0 HG22 THR A 80 -13.130 2.889 0.397 1.00 0.70 H new ATOM 0 HG23 THR A 80 -14.082 3.096 -1.092 1.00 0.70 H new ATOM 955 N GLU A 81 -14.221 5.939 -0.417 1.00 0.65 N ATOM 956 CA GLU A 81 -15.556 6.484 -0.672 1.00 0.79 C ATOM 957 C GLU A 81 -15.473 7.639 -1.666 1.00 0.85 C ATOM 958 O GLU A 81 -16.008 7.584 -2.774 1.00 0.98 O ATOM 959 CB GLU A 81 -16.202 6.967 0.626 1.00 0.91 C ATOM 960 CG GLU A 81 -17.600 7.527 0.413 1.00 1.54 C ATOM 961 CD GLU A 81 -18.304 7.885 1.705 1.00 1.82 C ATOM 962 OE1 GLU A 81 -18.034 8.981 2.245 1.00 2.27 O ATOM 963 OE2 GLU A 81 -19.116 7.072 2.192 1.00 2.27 O ATOM 0 H GLU A 81 -13.947 5.926 0.566 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.172 5.690 -1.094 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -16.251 6.139 1.333 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -15.572 7.734 1.077 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -17.536 8.415 -0.216 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -18.199 6.795 -0.128 1.00 1.54 H new ATOM 970 N ASN A 82 -14.758 8.678 -1.227 1.00 0.82 N ATOM 971 CA ASN A 82 -14.551 9.907 -1.992 1.00 0.90 C ATOM 972 C ASN A 82 -13.951 9.595 -3.354 1.00 0.94 C ATOM 973 O ASN A 82 -14.243 10.242 -4.355 1.00 1.09 O ATOM 974 CB ASN A 82 -13.606 10.826 -1.206 1.00 0.93 C ATOM 975 CG ASN A 82 -13.308 12.140 -1.912 1.00 1.70 C ATOM 976 OD1 ASN A 82 -12.182 12.632 -1.875 1.00 2.41 O ATOM 977 ND2 ASN A 82 -14.318 12.739 -2.522 1.00 2.40 N ATOM 0 H ASN A 82 -14.300 8.688 -0.316 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.511 10.400 -2.146 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -14.046 11.038 -0.232 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.669 10.300 -1.024 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -14.175 13.638 -2.981 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -15.239 12.301 -2.533 1.00 2.40 H new ATOM 984 N PHE A 83 -13.094 8.575 -3.341 1.00 0.85 N ATOM 985 CA PHE A 83 -12.260 8.200 -4.478 1.00 0.89 C ATOM 986 C PHE A 83 -13.087 7.579 -5.598 1.00 1.02 C ATOM 987 O PHE A 83 -12.777 7.739 -6.777 1.00 1.17 O ATOM 988 CB PHE A 83 -11.199 7.206 -3.998 1.00 0.81 C ATOM 989 CG PHE A 83 -10.099 6.952 -4.991 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.120 7.905 -5.213 1.00 0.97 C ATOM 991 CD2 PHE A 83 -10.037 5.759 -5.691 1.00 1.20 C ATOM 992 CE1 PHE A 83 -8.101 7.672 -6.117 1.00 1.06 C ATOM 993 CE2 PHE A 83 -9.021 5.522 -6.597 1.00 1.33 C ATOM 994 CZ PHE A 83 -8.051 6.480 -6.810 1.00 1.13 C ATOM 0 H PHE A 83 -12.959 7.977 -2.526 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.788 9.097 -4.880 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.759 7.579 -3.073 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.685 6.260 -3.761 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.153 8.840 -4.674 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -10.792 5.004 -5.527 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.343 8.424 -6.281 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -8.986 4.588 -7.138 1.00 1.33 H new ATOM 0 HZ PHE A 83 -7.255 6.297 -7.517 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.127 6.847 -5.194 1.00 1.00 N ATOM 1005 CA GLU A 84 -14.985 6.121 -6.126 1.00 1.14 C ATOM 1006 C GLU A 84 -16.095 7.016 -6.651 1.00 1.24 C ATOM 1007 O GLU A 84 -16.425 7.021 -7.832 1.00 1.46 O ATOM 1008 CB GLU A 84 -15.606 4.899 -5.438 1.00 1.20 C ATOM 1009 CG GLU A 84 -14.597 3.851 -5.005 1.00 1.33 C ATOM 1010 CD GLU A 84 -13.677 3.424 -6.124 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -14.108 2.637 -6.991 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -12.504 3.852 -6.119 1.00 2.19 O ATOM 0 H GLU A 84 -14.396 6.742 -4.216 1.00 1.00 H new ATOM 0 HA GLU A 84 -14.367 5.794 -6.962 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.165 5.233 -4.564 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -16.323 4.438 -6.118 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -14.001 4.246 -4.182 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.128 2.978 -4.624 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.690 7.745 -5.696 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.922 8.511 -5.904 1.00 1.34 C ATOM 1021 C ASP A 85 -17.728 9.610 -6.926 1.00 1.45 C ATOM 1022 O ASP A 85 -18.597 9.845 -7.765 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.378 9.136 -4.581 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.733 9.812 -4.692 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.747 9.103 -4.830 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -19.781 11.060 -4.662 1.00 1.81 O ATOM 0 H ASP A 85 -16.323 7.819 -4.747 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.679 7.821 -6.276 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.424 8.362 -3.814 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.638 9.866 -4.254 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.593 10.285 -6.815 1.00 1.34 N ATOM 1032 CA VAL A 86 -16.225 11.380 -7.701 1.00 1.50 C ATOM 1033 C VAL A 86 -14.780 11.793 -7.382 1.00 1.26 C ATOM 1034 O VAL A 86 -14.473 12.950 -7.081 1.00 1.87 O ATOM 1035 CB VAL A 86 -17.215 12.580 -7.568 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -17.264 13.126 -6.141 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -16.883 13.679 -8.571 1.00 2.64 C ATOM 0 H VAL A 86 -15.894 10.086 -6.099 1.00 1.34 H new ATOM 0 HA VAL A 86 -16.287 11.052 -8.739 1.00 1.50 H new ATOM 0 HB VAL A 86 -18.211 12.204 -7.799 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -17.965 13.959 -6.094 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -17.590 12.339 -5.461 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -16.272 13.470 -5.849 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -17.588 14.502 -8.456 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -15.871 14.041 -8.392 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -16.952 13.281 -9.583 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.887 10.816 -7.445 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.556 11.009 -6.917 1.00 1.82 C ATOM 1049 C GLY A 87 -11.510 11.322 -7.963 1.00 1.46 C ATOM 1050 O GLY A 87 -11.234 10.510 -8.852 1.00 2.23 O ATOM 0 H GLY A 87 -14.061 9.897 -7.851 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -12.580 11.821 -6.190 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -12.257 10.109 -6.379 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.941 12.517 -7.838 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.761 12.926 -8.598 1.00 0.81 C ATOM 1056 C HIS A 88 -10.059 13.127 -10.080 1.00 0.89 C ATOM 1057 O HIS A 88 -11.215 13.278 -10.480 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.611 11.927 -8.406 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.025 11.959 -7.023 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.147 10.936 -6.083 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.295 12.930 -6.422 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.501 11.325 -4.964 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.986 12.512 -5.149 1.00 0.48 N ATOM 0 H HIS A 88 -11.287 13.235 -7.202 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.454 13.894 -8.202 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -8.973 10.921 -8.617 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.826 12.142 -9.131 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -8.637 10.052 -6.217 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -7.006 13.871 -6.867 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.422 10.745 -4.056 1.00 0.98 H new ATOM 1071 N SER A 89 -9.004 13.151 -10.889 1.00 0.81 N ATOM 1072 CA SER A 89 -9.145 13.372 -12.317 1.00 1.00 C ATOM 1073 C SER A 89 -7.935 12.835 -13.090 1.00 1.00 C ATOM 1074 O SER A 89 -7.032 13.598 -13.416 1.00 1.43 O ATOM 1075 CB SER A 89 -9.318 14.869 -12.574 1.00 1.22 C ATOM 1076 OG SER A 89 -8.281 15.611 -11.952 1.00 1.06 O ATOM 0 H SER A 89 -8.042 13.019 -10.575 1.00 0.81 H new ATOM 0 HA SER A 89 -10.023 12.831 -12.670 1.00 1.00 H new ATOM 0 HB2 SER A 89 -9.315 15.061 -13.647 1.00 1.22 H new ATOM 0 HB3 SER A 89 -10.285 15.198 -12.194 1.00 1.22 H new ATOM 0 HG SER A 89 -7.412 15.247 -12.220 1.00 1.06 H new ATOM 1082 N THR A 90 -7.899 11.525 -13.329 1.00 1.14 N ATOM 1083 CA THR A 90 -6.882 10.899 -14.192 1.00 1.15 C ATOM 1084 C THR A 90 -5.445 11.020 -13.644 1.00 1.15 C ATOM 1085 O THR A 90 -4.886 10.030 -13.193 1.00 1.72 O ATOM 1086 CB THR A 90 -6.950 11.479 -15.619 1.00 1.27 C ATOM 1087 OG1 THR A 90 -8.283 11.334 -16.132 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.967 10.777 -16.550 1.00 1.49 C ATOM 0 H THR A 90 -8.569 10.864 -12.934 1.00 1.14 H new ATOM 0 HA THR A 90 -7.120 9.836 -14.211 1.00 1.15 H new ATOM 0 HB THR A 90 -6.680 12.534 -15.571 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.327 11.704 -17.038 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.039 11.209 -17.548 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.953 10.905 -16.172 1.00 1.49 H new ATOM 0 HG23 THR A 90 -6.205 9.714 -16.596 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.858 12.221 -13.687 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.466 12.450 -13.250 1.00 0.97 C ATOM 1098 C ASP A 91 -3.117 11.666 -11.986 1.00 0.89 C ATOM 1099 O ASP A 91 -2.077 11.012 -11.906 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.218 13.940 -13.000 1.00 1.12 C ATOM 1101 CG ASP A 91 -2.432 14.594 -14.121 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -3.021 14.879 -15.181 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -1.218 14.829 -13.944 1.00 1.90 O ATOM 0 H ASP A 91 -5.327 13.062 -14.023 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.825 12.096 -14.057 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -4.174 14.450 -12.886 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -2.677 14.063 -12.062 1.00 1.12 H new ATOM 1108 N ALA A 92 -4.019 11.721 -11.008 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.770 11.164 -9.680 1.00 0.90 C ATOM 1110 C ALA A 92 -3.830 9.634 -9.651 1.00 0.82 C ATOM 1111 O ALA A 92 -3.651 9.030 -8.597 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.763 11.745 -8.685 1.00 0.97 C ATOM 0 H ALA A 92 -4.938 12.150 -11.113 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.753 11.442 -9.402 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.574 11.327 -7.696 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.650 12.829 -8.649 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.778 11.496 -8.996 1.00 0.97 H new ATOM 1118 N ARG A 93 -4.085 9.014 -10.801 1.00 0.75 N ATOM 1119 CA ARG A 93 -4.079 7.553 -10.903 1.00 0.73 C ATOM 1120 C ARG A 93 -2.690 7.092 -11.366 1.00 0.69 C ATOM 1121 O ARG A 93 -2.373 5.904 -11.382 1.00 0.81 O ATOM 1122 CB ARG A 93 -5.185 7.081 -11.871 1.00 0.82 C ATOM 1123 CG ARG A 93 -4.813 7.122 -13.336 1.00 1.64 C ATOM 1124 CD ARG A 93 -5.964 6.634 -14.206 1.00 1.70 C ATOM 1125 NE ARG A 93 -6.302 5.237 -13.937 1.00 2.71 N ATOM 1126 CZ ARG A 93 -7.481 4.677 -14.219 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -8.403 5.340 -14.913 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -7.706 3.424 -13.855 1.00 4.15 N ATOM 0 H ARG A 93 -4.298 9.497 -11.674 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.288 7.109 -9.930 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -5.463 6.060 -11.611 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -6.069 7.701 -11.719 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -4.545 8.140 -13.618 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -3.934 6.502 -13.509 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.840 7.259 -14.032 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -5.697 6.746 -15.257 1.00 1.70 H new ATOM 0 HE ARG A 93 -5.589 4.650 -13.504 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -8.213 6.288 -15.237 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -9.299 4.900 -15.121 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -6.983 2.898 -13.365 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -8.603 2.985 -14.065 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.872 8.085 -11.727 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.533 7.872 -12.292 1.00 0.60 C ATOM 1144 C GLU A 94 0.501 8.547 -11.407 1.00 0.58 C ATOM 1145 O GLU A 94 1.673 8.191 -11.386 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.464 8.492 -13.691 1.00 0.68 C ATOM 1147 CG GLU A 94 -1.557 8.022 -14.640 1.00 1.19 C ATOM 1148 CD GLU A 94 -1.497 6.535 -14.942 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -0.381 5.982 -15.035 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -2.559 5.907 -15.079 1.00 2.11 O ATOM 0 H GLU A 94 -2.122 9.070 -11.635 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.333 6.802 -12.350 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.522 9.576 -13.598 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.506 8.261 -14.130 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -2.529 8.258 -14.208 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -1.480 8.578 -15.574 1.00 1.19 H new ATOM 1157 N MET A 95 0.027 9.574 -10.717 1.00 0.48 N ATOM 1158 CA MET A 95 0.842 10.379 -9.823 1.00 0.49 C ATOM 1159 C MET A 95 1.152 9.619 -8.544 1.00 0.42 C ATOM 1160 O MET A 95 2.161 9.859 -7.889 1.00 0.50 O ATOM 1161 CB MET A 95 0.081 11.655 -9.459 1.00 0.53 C ATOM 1162 CG MET A 95 0.914 12.657 -8.678 1.00 0.65 C ATOM 1163 SD MET A 95 2.093 13.533 -9.719 1.00 1.09 S ATOM 1164 CE MET A 95 0.980 14.317 -10.888 1.00 1.75 C ATOM 0 H MET A 95 -0.947 9.874 -10.764 1.00 0.48 H new ATOM 0 HA MET A 95 1.776 10.619 -10.331 1.00 0.49 H new ATOM 0 HB2 MET A 95 -0.278 12.128 -10.373 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.798 11.389 -8.871 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.253 13.378 -8.197 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.451 12.138 -7.884 1.00 0.65 H new ATOM 0 HE1 MET A 95 1.461 15.198 -11.313 1.00 1.75 H new ATOM 0 HE2 MET A 95 0.737 13.615 -11.686 1.00 1.75 H new ATOM 0 HE3 MET A 95 0.065 14.615 -10.376 1.00 1.75 H new ATOM 1174 N SER A 96 0.250 8.714 -8.190 1.00 0.34 N ATOM 1175 CA SER A 96 0.242 8.117 -6.867 1.00 0.31 C ATOM 1176 C SER A 96 1.074 6.837 -6.822 1.00 0.31 C ATOM 1177 O SER A 96 1.244 6.220 -5.768 1.00 0.33 O ATOM 1178 CB SER A 96 -1.207 7.843 -6.450 1.00 0.36 C ATOM 1179 OG SER A 96 -1.809 6.861 -7.276 1.00 1.13 O ATOM 0 H SER A 96 -0.489 8.377 -8.807 1.00 0.34 H new ATOM 0 HA SER A 96 0.697 8.815 -6.164 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.231 7.511 -5.412 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.783 8.767 -6.503 1.00 0.36 H new ATOM 0 HG SER A 96 -2.474 7.286 -7.857 1.00 1.13 H new ATOM 1185 N LYS A 97 1.617 6.488 -7.982 1.00 0.36 N ATOM 1186 CA LYS A 97 2.343 5.231 -8.200 1.00 0.43 C ATOM 1187 C LYS A 97 3.442 4.979 -7.174 1.00 0.41 C ATOM 1188 O LYS A 97 3.654 3.847 -6.740 1.00 0.48 O ATOM 1189 CB LYS A 97 2.976 5.254 -9.581 1.00 0.56 C ATOM 1190 CG LYS A 97 1.986 5.208 -10.721 1.00 0.83 C ATOM 1191 CD LYS A 97 2.723 5.319 -12.039 1.00 1.15 C ATOM 1192 CE LYS A 97 1.788 5.310 -13.223 1.00 1.56 C ATOM 1193 NZ LYS A 97 0.901 4.122 -13.225 1.00 2.15 N ATOM 0 H LYS A 97 1.568 7.076 -8.814 1.00 0.36 H new ATOM 0 HA LYS A 97 1.612 4.428 -8.101 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.580 6.157 -9.676 1.00 0.56 H new ATOM 0 HB3 LYS A 97 3.655 4.406 -9.671 1.00 0.56 H new ATOM 0 HG2 LYS A 97 1.420 4.277 -10.687 1.00 0.83 H new ATOM 0 HG3 LYS A 97 1.267 6.022 -10.625 1.00 0.83 H new ATOM 0 HD2 LYS A 97 3.308 6.238 -12.049 1.00 1.15 H new ATOM 0 HD3 LYS A 97 3.427 4.492 -12.129 1.00 1.15 H new ATOM 0 HE2 LYS A 97 1.181 6.215 -13.212 1.00 1.56 H new ATOM 0 HE3 LYS A 97 2.370 5.329 -14.144 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 0.360 4.094 -14.113 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 1.476 3.259 -13.142 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 0.244 4.178 -12.421 1.00 2.15 H new ATOM 1207 N THR A 98 4.154 6.038 -6.816 1.00 0.40 N ATOM 1208 CA THR A 98 5.350 5.928 -5.991 1.00 0.46 C ATOM 1209 C THR A 98 5.007 5.968 -4.510 1.00 0.41 C ATOM 1210 O THR A 98 5.891 5.926 -3.656 1.00 0.48 O ATOM 1211 CB THR A 98 6.322 7.075 -6.310 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.598 8.311 -6.381 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.051 6.842 -7.625 1.00 1.15 C ATOM 0 H THR A 98 3.921 6.993 -7.087 1.00 0.40 H new ATOM 0 HA THR A 98 5.818 4.970 -6.217 1.00 0.46 H new ATOM 0 HB THR A 98 7.065 7.117 -5.513 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.218 9.042 -6.583 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.729 7.673 -7.817 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.621 5.915 -7.566 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.326 6.771 -8.435 1.00 1.15 H new ATOM 1221 N PHE A 99 3.719 6.064 -4.215 1.00 0.32 N ATOM 1222 CA PHE A 99 3.253 6.104 -2.837 1.00 0.32 C ATOM 1223 C PHE A 99 2.724 4.740 -2.428 1.00 0.30 C ATOM 1224 O PHE A 99 2.543 4.458 -1.244 1.00 0.31 O ATOM 1225 CB PHE A 99 2.163 7.166 -2.685 1.00 0.34 C ATOM 1226 CG PHE A 99 2.642 8.545 -3.028 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.446 9.248 -2.150 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.274 9.144 -4.222 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.877 10.524 -2.452 1.00 0.90 C ATOM 1230 CE2 PHE A 99 2.703 10.420 -4.533 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.554 11.084 -3.682 1.00 0.47 C ATOM 0 H PHE A 99 2.977 6.116 -4.913 1.00 0.32 H new ATOM 0 HA PHE A 99 4.087 6.364 -2.186 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.320 6.909 -3.327 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.796 7.159 -1.659 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.741 8.793 -1.216 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.645 8.608 -4.917 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.462 11.084 -1.737 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.370 10.895 -5.444 1.00 0.81 H new ATOM 0 HZ PHE A 99 3.970 12.038 -3.969 1.00 0.47 H new ATOM 1241 N ILE A 100 2.488 3.896 -3.430 1.00 0.32 N ATOM 1242 CA ILE A 100 1.923 2.575 -3.209 1.00 0.32 C ATOM 1243 C ILE A 100 2.986 1.646 -2.639 1.00 0.34 C ATOM 1244 O ILE A 100 3.782 1.084 -3.390 1.00 0.43 O ATOM 1245 CB ILE A 100 1.403 1.949 -4.524 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.549 2.947 -5.301 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.607 0.683 -4.231 1.00 0.42 C ATOM 1248 CD1 ILE A 100 0.048 2.414 -6.626 1.00 0.38 C ATOM 0 H ILE A 100 2.682 4.110 -4.408 1.00 0.32 H new ATOM 0 HA ILE A 100 1.092 2.693 -2.514 1.00 0.32 H new ATOM 0 HB ILE A 100 2.263 1.686 -5.139 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.305 3.235 -4.689 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.133 3.850 -5.480 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.248 0.254 -5.167 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.246 -0.039 -3.723 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.243 0.927 -3.594 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.551 3.177 -7.122 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.897 2.152 -7.257 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.563 1.528 -6.454 1.00 0.38 H new ATOM 1260 N ILE A 101 3.004 1.480 -1.326 1.00 0.32 N ATOM 1261 CA ILE A 101 4.063 0.703 -0.698 1.00 0.35 C ATOM 1262 C ILE A 101 3.652 -0.750 -0.455 1.00 0.36 C ATOM 1263 O ILE A 101 4.473 -1.565 -0.031 1.00 0.43 O ATOM 1264 CB ILE A 101 4.557 1.349 0.615 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.380 1.682 1.536 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.379 2.599 0.312 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.797 2.263 2.871 1.00 0.38 C ATOM 0 H ILE A 101 2.311 1.865 -0.683 1.00 0.32 H new ATOM 0 HA ILE A 101 4.892 0.701 -1.406 1.00 0.35 H new ATOM 0 HB ILE A 101 5.194 0.633 1.133 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.724 2.390 1.031 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.798 0.777 1.710 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.721 3.045 1.246 1.00 0.46 H new ATOM 0 HG22 ILE A 101 6.241 2.329 -0.298 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.763 3.317 -0.229 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.910 2.474 3.469 1.00 0.38 H new ATOM 0 HD12 ILE A 101 4.429 1.548 3.398 1.00 0.38 H new ATOM 0 HD13 ILE A 101 4.353 3.187 2.708 1.00 0.38 H new ATOM 1279 N GLY A 102 2.387 -1.075 -0.708 1.00 0.33 N ATOM 1280 CA GLY A 102 1.974 -2.473 -0.711 1.00 0.39 C ATOM 1281 C GLY A 102 0.488 -2.651 -0.475 1.00 0.35 C ATOM 1282 O GLY A 102 -0.272 -1.684 -0.547 1.00 0.35 O ATOM 0 H GLY A 102 1.645 -0.405 -0.909 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.241 -2.923 -1.667 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.526 -3.011 0.060 1.00 0.39 H new ATOM 1286 N GLU A 103 0.075 -3.887 -0.207 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.320 -4.180 0.122 1.00 0.42 C ATOM 1288 C GLU A 103 -1.455 -4.457 1.616 1.00 0.37 C ATOM 1289 O GLU A 103 -0.505 -4.258 2.378 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.863 -5.372 -0.680 1.00 0.52 C ATOM 1291 CG GLU A 103 -2.044 -5.085 -2.162 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.907 -6.126 -2.858 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -2.442 -7.275 -3.038 1.00 1.85 O ATOM 1294 OE2 GLU A 103 -4.055 -5.796 -3.238 1.00 1.87 O ATOM 0 H GLU A 103 0.686 -4.704 -0.211 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.911 -3.305 -0.147 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -1.183 -6.216 -0.564 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.822 -5.675 -0.259 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.497 -4.101 -2.285 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -1.067 -5.048 -2.643 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.618 -4.925 2.034 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.858 -5.212 3.440 1.00 0.42 C ATOM 1303 C LEU A 104 -2.742 -6.700 3.739 1.00 0.42 C ATOM 1304 O LEU A 104 -2.589 -7.517 2.833 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.237 -4.718 3.866 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.289 -3.315 4.474 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -3.576 -3.291 5.814 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -3.678 -2.298 3.526 1.00 1.33 C ATOM 0 H LEU A 104 -3.411 -5.115 1.422 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.092 -4.684 4.007 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.894 -4.740 2.996 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.645 -5.422 4.591 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.334 -3.048 4.634 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -3.622 -2.286 6.233 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -4.059 -3.991 6.496 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -2.534 -3.579 5.677 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -3.725 -1.307 3.977 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -2.638 -2.560 3.332 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -4.232 -2.296 2.588 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.812 -7.040 5.018 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.739 -8.425 5.463 1.00 0.53 C ATOM 1322 C HIS A 105 -3.882 -9.265 4.883 1.00 0.60 C ATOM 1323 O HIS A 105 -4.872 -8.725 4.403 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.784 -8.472 6.996 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.537 -9.016 7.624 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -1.546 -10.020 8.567 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -0.234 -8.687 7.444 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -0.307 -10.285 8.940 1.00 2.41 C ATOM 1329 NE2 HIS A 105 0.511 -9.490 8.272 1.00 2.37 N ATOM 0 H HIS A 105 -2.921 -6.365 5.775 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.801 -8.848 5.105 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.961 -7.466 7.375 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.632 -9.083 7.306 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.148 -7.932 6.773 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -0.012 -11.026 9.668 1.00 2.41 H new ATOM 0 HE2 HIS A 105 1.527 -9.475 8.357 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.727 -10.605 4.905 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.771 -11.589 4.514 1.00 1.00 C ATOM 1340 C PRO A 106 -6.194 -11.298 5.036 1.00 1.18 C ATOM 1341 O PRO A 106 -7.155 -11.949 4.624 1.00 1.67 O ATOM 1342 CB PRO A 106 -4.251 -12.866 5.168 1.00 1.17 C ATOM 1343 CG PRO A 106 -2.771 -12.747 5.088 1.00 1.02 C ATOM 1344 CD PRO A 106 -2.463 -11.285 5.254 1.00 0.79 C ATOM 0 HA PRO A 106 -4.898 -11.603 3.432 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -4.588 -12.949 6.201 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -4.607 -13.754 4.645 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -2.289 -13.338 5.867 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -2.401 -13.118 4.132 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -2.157 -11.056 6.275 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.649 -10.973 4.599 1.00 0.79 H new ATOM 1352 N ASP A 107 -6.297 -10.346 5.959 1.00 1.16 N ATOM 1353 CA ASP A 107 -7.536 -10.028 6.672 1.00 1.47 C ATOM 1354 C ASP A 107 -8.271 -8.889 5.970 1.00 1.22 C ATOM 1355 O ASP A 107 -9.458 -8.668 6.178 1.00 1.47 O ATOM 1356 CB ASP A 107 -7.196 -9.637 8.113 1.00 1.90 C ATOM 1357 CG ASP A 107 -8.416 -9.290 8.945 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -9.412 -10.049 8.907 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -8.367 -8.276 9.668 1.00 3.31 O ATOM 0 H ASP A 107 -5.509 -9.762 6.239 1.00 1.16 H new ATOM 0 HA ASP A 107 -8.189 -10.901 6.678 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.662 -10.460 8.589 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.519 -8.783 8.100 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.516 -8.146 5.166 1.00 0.95 N ATOM 1365 CA ASP A 108 -8.066 -7.138 4.263 1.00 1.11 C ATOM 1366 C ASP A 108 -7.937 -7.650 2.833 1.00 1.14 C ATOM 1367 O ASP A 108 -8.822 -7.481 1.992 1.00 1.53 O ATOM 1368 CB ASP A 108 -7.300 -5.822 4.389 1.00 1.39 C ATOM 1369 CG ASP A 108 -7.759 -4.789 3.366 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -7.187 -4.755 2.249 1.00 3.44 O ATOM 1371 OD2 ASP A 108 -8.682 -4.007 3.679 1.00 3.12 O ATOM 0 H ASP A 108 -6.500 -8.226 5.122 1.00 0.95 H new ATOM 0 HA ASP A 108 -9.110 -6.959 4.521 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -7.434 -5.420 5.393 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.234 -6.010 4.260 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.798 -8.298 2.583 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.476 -8.844 1.279 1.00 1.18 C ATOM 1378 C ARG A 109 -7.316 -10.093 1.072 1.00 1.48 C ATOM 1379 O ARG A 109 -7.276 -10.998 1.907 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.977 -9.167 1.206 1.00 1.11 C ATOM 1381 CG ARG A 109 -4.315 -8.800 -0.117 1.00 1.45 C ATOM 1382 CD ARG A 109 -3.925 -10.030 -0.923 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.358 -9.675 -2.230 1.00 2.25 N ATOM 1384 CZ ARG A 109 -3.217 -10.529 -3.243 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -3.593 -11.798 -3.099 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.695 -10.108 -4.393 1.00 3.35 N ATOM 0 H ARG A 109 -6.076 -8.455 3.286 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.698 -8.123 0.492 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.465 -8.641 2.012 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.839 -10.234 1.383 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -4.996 -8.184 -0.704 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.427 -8.198 0.077 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.199 -10.617 -0.360 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -4.802 -10.661 -1.068 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.052 -8.712 -2.372 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -3.988 -12.115 -2.214 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -3.486 -12.453 -3.874 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.405 -9.136 -4.496 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -2.585 -10.758 -5.171 1.00 3.35 H new ATOM 1400 N PRO A 110 -8.005 -10.185 -0.082 1.00 1.77 N ATOM 1401 CA PRO A 110 -9.211 -10.975 -0.286 1.00 2.09 C ATOM 1402 C PRO A 110 -9.450 -12.093 0.720 1.00 2.31 C ATOM 1403 O PRO A 110 -8.980 -13.217 0.522 1.00 2.89 O ATOM 1404 CB PRO A 110 -9.017 -11.543 -1.692 1.00 2.66 C ATOM 1405 CG PRO A 110 -7.990 -10.665 -2.351 1.00 2.94 C ATOM 1406 CD PRO A 110 -7.608 -9.595 -1.355 1.00 2.39 C ATOM 0 HA PRO A 110 -10.095 -10.351 -0.154 1.00 2.09 H new ATOM 0 HB2 PRO A 110 -8.678 -12.578 -1.652 1.00 2.66 H new ATOM 0 HB3 PRO A 110 -9.954 -11.535 -2.249 1.00 2.66 H new ATOM 0 HG2 PRO A 110 -7.116 -11.248 -2.643 1.00 2.94 H new ATOM 0 HG3 PRO A 110 -8.393 -10.218 -3.260 1.00 2.94 H new ATOM 0 HD2 PRO A 110 -6.540 -9.377 -1.385 1.00 2.39 H new ATOM 0 HD3 PRO A 110 -8.130 -8.658 -1.547 1.00 2.39 H new ATOM 1414 N LYS A 111 -10.109 -11.771 1.829 1.00 2.13 N ATOM 1415 CA LYS A 111 -10.643 -12.801 2.709 1.00 2.67 C ATOM 1416 C LYS A 111 -11.426 -13.832 1.890 1.00 3.16 C ATOM 1417 O LYS A 111 -10.914 -14.908 1.590 1.00 3.69 O ATOM 1418 CB LYS A 111 -11.529 -12.176 3.786 1.00 2.87 C ATOM 1419 CG LYS A 111 -10.859 -11.009 4.489 1.00 2.82 C ATOM 1420 CD LYS A 111 -11.721 -10.410 5.589 1.00 3.47 C ATOM 1421 CE LYS A 111 -11.773 -11.304 6.818 1.00 3.97 C ATOM 1422 NZ LYS A 111 -11.986 -10.518 8.067 1.00 4.54 N ATOM 0 H LYS A 111 -10.284 -10.814 2.136 1.00 2.13 H new ATOM 0 HA LYS A 111 -9.815 -13.308 3.205 1.00 2.67 H new ATOM 0 HB2 LYS A 111 -12.460 -11.836 3.333 1.00 2.87 H new ATOM 0 HB3 LYS A 111 -11.791 -12.936 4.522 1.00 2.87 H new ATOM 0 HG2 LYS A 111 -9.913 -11.343 4.916 1.00 2.82 H new ATOM 0 HG3 LYS A 111 -10.624 -10.236 3.757 1.00 2.82 H new ATOM 0 HD2 LYS A 111 -11.327 -9.433 5.867 1.00 3.47 H new ATOM 0 HD3 LYS A 111 -12.731 -10.251 5.213 1.00 3.47 H new ATOM 0 HE2 LYS A 111 -12.577 -12.031 6.705 1.00 3.97 H new ATOM 0 HE3 LYS A 111 -10.843 -11.867 6.897 1.00 3.97 H new ATOM 0 HZ1 LYS A 111 -12.533 -11.086 8.745 1.00 4.54 H new ATOM 0 HZ2 LYS A 111 -11.065 -10.272 8.484 1.00 4.54 H new ATOM 0 HZ3 LYS A 111 -12.509 -9.647 7.844 1.00 4.54 H new ATOM 1436 N LEU A 112 -12.649 -13.468 1.502 1.00 3.28 N ATOM 1437 CA LEU A 112 -13.491 -14.294 0.625 1.00 3.87 C ATOM 1438 C LEU A 112 -13.666 -15.711 1.181 1.00 4.03 C ATOM 1439 O LEU A 112 -14.538 -15.954 2.016 1.00 4.40 O ATOM 1440 CB LEU A 112 -12.909 -14.350 -0.795 1.00 4.14 C ATOM 1441 CG LEU A 112 -13.822 -14.977 -1.854 1.00 4.72 C ATOM 1442 CD1 LEU A 112 -15.063 -14.121 -2.074 1.00 5.33 C ATOM 1443 CD2 LEU A 112 -13.066 -15.176 -3.157 1.00 5.13 C ATOM 0 H LEU A 112 -13.087 -12.592 1.785 1.00 3.28 H new ATOM 0 HA LEU A 112 -14.474 -13.825 0.584 1.00 3.87 H new ATOM 0 HB2 LEU A 112 -12.660 -13.336 -1.108 1.00 4.14 H new ATOM 0 HB3 LEU A 112 -11.976 -14.912 -0.765 1.00 4.14 H new ATOM 0 HG LEU A 112 -14.146 -15.953 -1.493 1.00 4.72 H new ATOM 0 HD11 LEU A 112 -15.696 -14.586 -2.830 1.00 5.33 H new ATOM 0 HD12 LEU A 112 -15.617 -14.036 -1.139 1.00 5.33 H new ATOM 0 HD13 LEU A 112 -14.765 -13.128 -2.411 1.00 5.33 H new ATOM 0 HD21 LEU A 112 -13.729 -15.622 -3.898 1.00 5.13 H new ATOM 0 HD22 LEU A 112 -12.710 -14.213 -3.522 1.00 5.13 H new ATOM 0 HD23 LEU A 112 -12.216 -15.836 -2.987 1.00 5.13 H new ATOM 1455 N ASN A 113 -12.839 -16.643 0.708 1.00 4.17 N ATOM 1456 CA ASN A 113 -12.828 -18.007 1.236 1.00 4.65 C ATOM 1457 C ASN A 113 -11.408 -18.418 1.615 1.00 4.52 C ATOM 1458 O ASN A 113 -11.181 -19.497 2.167 1.00 4.85 O ATOM 1459 CB ASN A 113 -13.399 -19.011 0.223 1.00 5.14 C ATOM 1460 CG ASN A 113 -14.858 -18.759 -0.113 1.00 5.80 C ATOM 1461 OD1 ASN A 113 -15.175 -18.016 -1.042 1.00 6.30 O ATOM 1462 ND2 ASN A 113 -15.758 -19.383 0.636 1.00 6.14 N ATOM 0 H ASN A 113 -12.167 -16.478 -0.041 1.00 4.17 H new ATOM 0 HA ASN A 113 -13.461 -18.018 2.123 1.00 4.65 H new ATOM 0 HB2 ASN A 113 -12.810 -18.968 -0.693 1.00 5.14 H new ATOM 0 HB3 ASN A 113 -13.294 -20.020 0.623 1.00 5.14 H new ATOM 0 HD21 ASN A 113 -16.753 -19.255 0.451 1.00 6.14 H new ATOM 0 HD22 ASN A 113 -15.455 -19.991 1.397 1.00 6.14 H new ATOM 1469 N LYS A 114 -10.476 -17.506 1.328 1.00 4.52 N ATOM 1470 CA LYS A 114 -9.035 -17.715 1.484 1.00 4.85 C ATOM 1471 C LYS A 114 -8.545 -18.911 0.665 1.00 5.78 C ATOM 1472 O LYS A 114 -8.638 -20.058 1.091 1.00 6.19 O ATOM 1473 CB LYS A 114 -8.627 -17.876 2.956 1.00 4.78 C ATOM 1474 CG LYS A 114 -8.959 -16.678 3.848 1.00 5.11 C ATOM 1475 CD LYS A 114 -8.505 -15.346 3.246 1.00 5.22 C ATOM 1476 CE LYS A 114 -7.007 -15.285 3.022 1.00 6.07 C ATOM 1477 NZ LYS A 114 -6.598 -13.974 2.444 1.00 6.75 N ATOM 0 H LYS A 114 -10.709 -16.579 0.972 1.00 4.52 H new ATOM 0 HA LYS A 114 -8.553 -16.815 1.101 1.00 4.85 H new ATOM 0 HB2 LYS A 114 -9.120 -18.760 3.361 1.00 4.78 H new ATOM 0 HB3 LYS A 114 -7.554 -18.060 3.003 1.00 4.78 H new ATOM 0 HG2 LYS A 114 -10.035 -16.646 4.020 1.00 5.11 H new ATOM 0 HG3 LYS A 114 -8.485 -16.812 4.820 1.00 5.11 H new ATOM 0 HD2 LYS A 114 -9.017 -15.188 2.297 1.00 5.22 H new ATOM 0 HD3 LYS A 114 -8.803 -14.533 3.908 1.00 5.22 H new ATOM 0 HE2 LYS A 114 -6.489 -15.445 3.968 1.00 6.07 H new ATOM 0 HE3 LYS A 114 -6.704 -16.090 2.352 1.00 6.07 H new ATOM 0 HZ1 LYS A 114 -5.625 -14.042 2.084 1.00 6.75 H new ATOM 0 HZ2 LYS A 114 -7.239 -13.723 1.664 1.00 6.75 H new ATOM 0 HZ3 LYS A 114 -6.645 -13.241 3.180 1.00 6.75 H new ATOM 1491 N PRO A 115 -8.024 -18.646 -0.538 1.00 6.36 N ATOM 1492 CA PRO A 115 -7.471 -19.673 -1.408 1.00 7.42 C ATOM 1493 C PRO A 115 -5.973 -19.887 -1.195 1.00 8.03 C ATOM 1494 O PRO A 115 -5.202 -18.926 -1.115 1.00 8.08 O ATOM 1495 CB PRO A 115 -7.724 -19.107 -2.801 1.00 7.93 C ATOM 1496 CG PRO A 115 -7.777 -17.618 -2.633 1.00 7.30 C ATOM 1497 CD PRO A 115 -7.943 -17.320 -1.160 1.00 6.27 C ATOM 0 HA PRO A 115 -7.923 -20.648 -1.225 1.00 7.42 H new ATOM 0 HB2 PRO A 115 -6.930 -19.395 -3.490 1.00 7.93 H new ATOM 0 HB3 PRO A 115 -8.658 -19.488 -3.214 1.00 7.93 H new ATOM 0 HG2 PRO A 115 -6.865 -17.159 -3.014 1.00 7.30 H new ATOM 0 HG3 PRO A 115 -8.607 -17.199 -3.202 1.00 7.30 H new ATOM 0 HD2 PRO A 115 -7.101 -16.747 -0.771 1.00 6.27 H new ATOM 0 HD3 PRO A 115 -8.842 -16.734 -0.970 1.00 6.27 H new ATOM 1505 N PRO A 116 -5.550 -21.152 -1.082 1.00 8.68 N ATOM 1506 CA PRO A 116 -4.137 -21.513 -0.978 1.00 9.51 C ATOM 1507 C PRO A 116 -3.424 -21.451 -2.331 1.00 10.48 C ATOM 1508 O PRO A 116 -2.556 -20.608 -2.549 1.00 10.92 O ATOM 1509 CB PRO A 116 -4.169 -22.964 -0.450 1.00 9.98 C ATOM 1510 CG PRO A 116 -5.607 -23.259 -0.154 1.00 9.58 C ATOM 1511 CD PRO A 116 -6.408 -22.331 -1.018 1.00 8.87 C ATOM 0 HA PRO A 116 -3.588 -20.827 -0.333 1.00 9.51 H new ATOM 0 HB2 PRO A 116 -3.772 -23.658 -1.190 1.00 9.98 H new ATOM 0 HB3 PRO A 116 -3.556 -23.068 0.445 1.00 9.98 H new ATOM 0 HG2 PRO A 116 -5.845 -24.300 -0.375 1.00 9.58 H new ATOM 0 HG3 PRO A 116 -5.829 -23.098 0.901 1.00 9.58 H new ATOM 0 HD2 PRO A 116 -6.594 -22.753 -2.006 1.00 8.87 H new ATOM 0 HD3 PRO A 116 -7.380 -22.104 -0.580 1.00 8.87 H new ATOM 1519 N GLU A 117 -3.814 -22.336 -3.243 1.00 10.96 N ATOM 1520 CA GLU A 117 -3.161 -22.441 -4.541 1.00 11.99 C ATOM 1521 C GLU A 117 -4.181 -22.432 -5.675 1.00 12.68 C ATOM 1522 O GLU A 117 -5.359 -22.133 -5.467 1.00 12.96 O ATOM 1523 CB GLU A 117 -2.343 -23.731 -4.617 1.00 12.67 C ATOM 1524 CG GLU A 117 -1.095 -23.741 -3.752 1.00 13.04 C ATOM 1525 CD GLU A 117 0.039 -22.937 -4.355 1.00 13.71 C ATOM 1526 OE1 GLU A 117 0.544 -23.316 -5.431 1.00 14.28 O ATOM 1527 OE2 GLU A 117 0.420 -21.909 -3.749 1.00 13.79 O ATOM 0 H GLU A 117 -4.582 -22.993 -3.105 1.00 10.96 H new ATOM 0 HA GLU A 117 -2.505 -21.578 -4.651 1.00 11.99 H new ATOM 0 HB2 GLU A 117 -2.979 -24.566 -4.324 1.00 12.67 H new ATOM 0 HB3 GLU A 117 -2.052 -23.900 -5.654 1.00 12.67 H new ATOM 0 HG2 GLU A 117 -1.337 -23.340 -2.768 1.00 13.04 H new ATOM 0 HG3 GLU A 117 -0.768 -24.770 -3.605 1.00 13.04 H new ATOM 1534 N THR A 118 -3.723 -22.766 -6.870 1.00 13.09 N ATOM 1535 CA THR A 118 -4.604 -22.892 -8.012 1.00 13.91 C ATOM 1536 C THR A 118 -4.952 -24.370 -8.227 1.00 14.25 C ATOM 1537 O THR A 118 -4.908 -25.161 -7.281 1.00 14.32 O ATOM 1538 CB THR A 118 -3.940 -22.313 -9.279 1.00 14.52 C ATOM 1539 OG1 THR A 118 -3.069 -21.234 -8.914 1.00 14.48 O ATOM 1540 CG2 THR A 118 -4.991 -21.799 -10.253 1.00 14.97 C ATOM 0 H THR A 118 -2.741 -22.955 -7.072 1.00 13.09 H new ATOM 0 HA THR A 118 -5.517 -22.328 -7.818 1.00 13.91 H new ATOM 0 HB THR A 118 -3.370 -23.107 -9.763 1.00 14.52 H new ATOM 0 HG1 THR A 118 -2.646 -20.868 -9.719 1.00 14.48 H new ATOM 0 HG21 THR A 118 -4.500 -21.395 -11.139 1.00 14.97 H new ATOM 0 HG22 THR A 118 -5.649 -22.618 -10.544 1.00 14.97 H new ATOM 0 HG23 THR A 118 -5.578 -21.015 -9.775 1.00 14.97 H new ATOM 1548 N LEU A 119 -5.325 -24.737 -9.448 1.00 14.62 N ATOM 1549 CA LEU A 119 -5.545 -26.138 -9.784 1.00 15.15 C ATOM 1550 C LEU A 119 -4.579 -26.551 -10.888 1.00 15.86 C ATOM 1551 O LEU A 119 -3.566 -27.197 -10.626 1.00 16.21 O ATOM 1552 CB LEU A 119 -6.996 -26.400 -10.227 1.00 15.53 C ATOM 1553 CG LEU A 119 -8.088 -26.184 -9.166 1.00 15.30 C ATOM 1554 CD1 LEU A 119 -7.706 -26.822 -7.841 1.00 15.43 C ATOM 1555 CD2 LEU A 119 -8.394 -24.705 -8.989 1.00 15.51 C ATOM 0 H LEU A 119 -5.481 -24.087 -10.218 1.00 14.62 H new ATOM 0 HA LEU A 119 -5.364 -26.734 -8.889 1.00 15.15 H new ATOM 0 HB2 LEU A 119 -7.215 -25.754 -11.078 1.00 15.53 H new ATOM 0 HB3 LEU A 119 -7.064 -27.428 -10.582 1.00 15.53 H new ATOM 0 HG LEU A 119 -8.994 -26.675 -9.522 1.00 15.30 H new ATOM 0 HD11 LEU A 119 -8.499 -26.651 -7.113 1.00 15.43 H new ATOM 0 HD12 LEU A 119 -7.566 -27.894 -7.980 1.00 15.43 H new ATOM 0 HD13 LEU A 119 -6.778 -26.379 -7.478 1.00 15.43 H new ATOM 0 HD21 LEU A 119 -9.169 -24.582 -8.233 1.00 15.51 H new ATOM 0 HD22 LEU A 119 -7.492 -24.182 -8.672 1.00 15.51 H new ATOM 0 HD23 LEU A 119 -8.740 -24.289 -9.935 1.00 15.51 H new ATOM 1567 N ILE A 120 -4.876 -26.150 -12.121 1.00 16.20 N ATOM 1568 CA ILE A 120 -4.013 -26.467 -13.250 1.00 17.02 C ATOM 1569 C ILE A 120 -3.581 -25.204 -13.985 1.00 17.51 C ATOM 1570 O ILE A 120 -4.338 -24.625 -14.764 1.00 17.80 O ATOM 1571 CB ILE A 120 -4.676 -27.453 -14.242 1.00 17.69 C ATOM 1572 CG1 ILE A 120 -6.090 -26.992 -14.619 1.00 17.88 C ATOM 1573 CG2 ILE A 120 -4.711 -28.852 -13.649 1.00 18.24 C ATOM 1574 CD1 ILE A 120 -6.773 -27.882 -15.636 1.00 18.20 C ATOM 0 H ILE A 120 -5.705 -25.607 -12.361 1.00 16.20 H new ATOM 0 HA ILE A 120 -3.132 -26.956 -12.835 1.00 17.02 H new ATOM 0 HB ILE A 120 -4.077 -27.473 -15.153 1.00 17.69 H new ATOM 0 HG12 ILE A 120 -6.701 -26.951 -13.717 1.00 17.88 H new ATOM 0 HG13 ILE A 120 -6.038 -25.978 -15.015 1.00 17.88 H new ATOM 0 HG21 ILE A 120 -5.180 -29.536 -14.357 1.00 18.24 H new ATOM 0 HG22 ILE A 120 -3.694 -29.185 -13.442 1.00 18.24 H new ATOM 0 HG23 ILE A 120 -5.284 -28.840 -12.722 1.00 18.24 H new ATOM 0 HD11 ILE A 120 -7.768 -27.492 -15.851 1.00 18.20 H new ATOM 0 HD12 ILE A 120 -6.185 -27.904 -16.554 1.00 18.20 H new ATOM 0 HD13 ILE A 120 -6.859 -28.892 -15.236 1.00 18.20 H new ATOM 1586 N THR A 121 -2.365 -24.764 -13.709 1.00 17.74 N ATOM 1587 CA THR A 121 -1.805 -23.602 -14.376 1.00 18.36 C ATOM 1588 C THR A 121 -1.001 -24.014 -15.607 1.00 19.19 C ATOM 1589 O THR A 121 -1.267 -23.564 -16.721 1.00 19.58 O ATOM 1590 CB THR A 121 -0.910 -22.799 -13.412 1.00 18.34 C ATOM 1591 OG1 THR A 121 -0.199 -23.700 -12.546 1.00 18.55 O ATOM 1592 CG2 THR A 121 -1.743 -21.825 -12.588 1.00 18.03 C ATOM 0 H THR A 121 -1.745 -25.196 -13.024 1.00 17.74 H new ATOM 0 HA THR A 121 -2.634 -22.971 -14.696 1.00 18.36 H new ATOM 0 HB THR A 121 -0.193 -22.223 -13.998 1.00 18.34 H new ATOM 0 HG1 THR A 121 0.370 -23.186 -11.936 1.00 18.55 H new ATOM 0 HG21 THR A 121 -1.091 -21.269 -11.914 1.00 18.03 H new ATOM 0 HG22 THR A 121 -2.255 -21.130 -13.254 1.00 18.03 H new ATOM 0 HG23 THR A 121 -2.479 -22.379 -12.005 1.00 18.03 H new ATOM 1600 N THR A 122 -0.032 -24.892 -15.397 1.00 19.55 N ATOM 1601 CA THR A 122 0.869 -25.314 -16.457 1.00 20.46 C ATOM 1602 C THR A 122 0.301 -26.469 -17.283 1.00 21.12 C ATOM 1603 O THR A 122 0.572 -27.638 -17.011 1.00 21.25 O ATOM 1604 CB THR A 122 2.230 -25.720 -15.870 1.00 20.60 C ATOM 1605 OG1 THR A 122 2.053 -26.348 -14.588 1.00 20.58 O ATOM 1606 CG2 THR A 122 3.131 -24.509 -15.727 1.00 20.60 C ATOM 0 H THR A 122 0.151 -25.329 -14.494 1.00 19.55 H new ATOM 0 HA THR A 122 0.992 -24.461 -17.125 1.00 20.46 H new ATOM 0 HB THR A 122 2.699 -26.429 -16.553 1.00 20.60 H new ATOM 0 HG1 THR A 122 2.927 -26.603 -14.225 1.00 20.58 H new ATOM 0 HG21 THR A 122 4.090 -24.816 -15.310 1.00 20.60 H new ATOM 0 HG22 THR A 122 3.289 -24.056 -16.706 1.00 20.60 H new ATOM 0 HG23 THR A 122 2.662 -23.783 -15.063 1.00 20.60 H new ATOM 1614 N ILE A 123 -0.485 -26.135 -18.298 1.00 21.64 N ATOM 1615 CA ILE A 123 -1.045 -27.141 -19.196 1.00 22.40 C ATOM 1616 C ILE A 123 -0.130 -27.335 -20.398 1.00 22.78 C ATOM 1617 O ILE A 123 -0.033 -28.427 -20.958 1.00 22.98 O ATOM 1618 CB ILE A 123 -2.452 -26.734 -19.693 1.00 23.08 C ATOM 1619 CG1 ILE A 123 -3.406 -26.569 -18.507 1.00 23.05 C ATOM 1620 CG2 ILE A 123 -2.997 -27.759 -20.683 1.00 23.52 C ATOM 1621 CD1 ILE A 123 -4.787 -26.090 -18.901 1.00 23.60 C ATOM 0 H ILE A 123 -0.750 -25.176 -18.522 1.00 21.64 H new ATOM 0 HA ILE A 123 -1.129 -28.073 -18.636 1.00 22.40 H new ATOM 0 HB ILE A 123 -2.370 -25.778 -20.210 1.00 23.08 H new ATOM 0 HG12 ILE A 123 -3.496 -27.524 -17.989 1.00 23.05 H new ATOM 0 HG13 ILE A 123 -2.974 -25.862 -17.799 1.00 23.05 H new ATOM 0 HG21 ILE A 123 -3.987 -27.451 -21.018 1.00 23.52 H new ATOM 0 HG22 ILE A 123 -2.329 -27.827 -21.541 1.00 23.52 H new ATOM 0 HG23 ILE A 123 -3.065 -28.733 -20.198 1.00 23.52 H new ATOM 0 HD11 ILE A 123 -5.408 -25.996 -18.010 1.00 23.60 H new ATOM 0 HD12 ILE A 123 -4.709 -25.120 -19.393 1.00 23.60 H new ATOM 0 HD13 ILE A 123 -5.240 -26.808 -19.585 1.00 23.60 H new ATOM 1633 N ASP A 124 0.560 -26.267 -20.757 1.00 22.96 N ATOM 1634 CA ASP A 124 1.394 -26.233 -21.951 1.00 23.43 C ATOM 1635 C ASP A 124 2.523 -27.265 -21.901 1.00 23.78 C ATOM 1636 O ASP A 124 2.662 -28.078 -22.812 1.00 23.78 O ATOM 1637 CB ASP A 124 1.959 -24.825 -22.142 1.00 23.94 C ATOM 1638 CG ASP A 124 2.616 -24.286 -20.888 1.00 24.17 C ATOM 1639 OD1 ASP A 124 1.884 -23.908 -19.948 1.00 24.41 O ATOM 1640 OD2 ASP A 124 3.857 -24.250 -20.835 1.00 24.20 O ATOM 0 H ASP A 124 0.559 -25.395 -20.229 1.00 22.96 H new ATOM 0 HA ASP A 124 0.767 -26.495 -22.804 1.00 23.43 H new ATOM 0 HB2 ASP A 124 2.687 -24.837 -22.953 1.00 23.94 H new ATOM 0 HB3 ASP A 124 1.156 -24.153 -22.444 1.00 23.94 H new ATOM 1645 N SER A 125 3.349 -27.214 -20.864 1.00 24.16 N ATOM 1646 CA SER A 125 4.452 -28.163 -20.725 1.00 24.63 C ATOM 1647 C SER A 125 4.657 -28.565 -19.268 1.00 24.84 C ATOM 1648 O SER A 125 5.697 -29.117 -18.904 1.00 25.03 O ATOM 1649 CB SER A 125 5.737 -27.570 -21.308 1.00 25.24 C ATOM 1650 OG SER A 125 5.592 -27.334 -22.699 1.00 25.57 O ATOM 0 H SER A 125 3.279 -26.531 -20.110 1.00 24.16 H new ATOM 0 HA SER A 125 4.196 -29.064 -21.283 1.00 24.63 H new ATOM 0 HB2 SER A 125 5.977 -26.637 -20.798 1.00 25.24 H new ATOM 0 HB3 SER A 125 6.570 -28.251 -21.134 1.00 25.24 H new ATOM 0 HG SER A 125 6.422 -26.953 -23.055 1.00 25.57 H new ATOM 1656 N SER A 126 3.649 -28.281 -18.448 1.00 24.89 N ATOM 1657 CA SER A 126 3.628 -28.704 -17.054 1.00 25.18 C ATOM 1658 C SER A 126 4.745 -28.049 -16.222 1.00 25.41 C ATOM 1659 O SER A 126 5.102 -26.896 -16.462 1.00 25.51 O ATOM 1660 CB SER A 126 3.696 -30.232 -16.977 1.00 25.59 C ATOM 1661 OG SER A 126 2.587 -30.813 -17.641 1.00 25.84 O ATOM 0 H SER A 126 2.825 -27.751 -18.732 1.00 24.89 H new ATOM 0 HA SER A 126 2.689 -28.367 -16.616 1.00 25.18 H new ATOM 0 HB2 SER A 126 4.623 -30.584 -17.429 1.00 25.59 H new ATOM 0 HB3 SER A 126 3.710 -30.549 -15.934 1.00 25.59 H new ATOM 0 HG SER A 126 2.646 -31.790 -17.584 1.00 25.84 H new ATOM 1667 N SER A 127 5.276 -28.801 -15.256 1.00 25.58 N ATOM 1668 CA SER A 127 6.152 -28.278 -14.203 1.00 25.89 C ATOM 1669 C SER A 127 7.327 -27.437 -14.709 1.00 26.06 C ATOM 1670 O SER A 127 8.161 -27.897 -15.491 1.00 26.48 O ATOM 1671 CB SER A 127 6.673 -29.447 -13.361 1.00 26.15 C ATOM 1672 OG SER A 127 6.995 -30.567 -14.176 1.00 26.55 O ATOM 0 H SER A 127 5.108 -29.804 -15.181 1.00 25.58 H new ATOM 0 HA SER A 127 5.543 -27.597 -13.608 1.00 25.89 H new ATOM 0 HB2 SER A 127 7.557 -29.133 -12.806 1.00 26.15 H new ATOM 0 HB3 SER A 127 5.920 -29.733 -12.627 1.00 26.15 H new ATOM 0 HG SER A 127 7.326 -31.297 -13.613 1.00 26.55 H new ATOM 1678 N SER A 128 7.374 -26.200 -14.227 1.00 25.83 N ATOM 1679 CA SER A 128 8.496 -25.307 -14.444 1.00 26.03 C ATOM 1680 C SER A 128 8.328 -24.116 -13.504 1.00 25.96 C ATOM 1681 O SER A 128 7.835 -23.064 -13.952 1.00 26.15 O ATOM 1682 CB SER A 128 8.564 -24.842 -15.907 1.00 26.24 C ATOM 1683 OG SER A 128 9.835 -24.287 -16.220 1.00 26.24 O ATOM 1684 OXT SER A 128 8.620 -24.268 -12.297 1.00 25.79 O ATOM 0 H SER A 128 6.625 -25.789 -13.670 1.00 25.83 H new ATOM 0 HA SER A 128 9.431 -25.827 -14.236 1.00 26.03 H new ATOM 0 HB2 SER A 128 8.362 -25.685 -16.567 1.00 26.24 H new ATOM 0 HB3 SER A 128 7.787 -24.100 -16.090 1.00 26.24 H new ATOM 0 HG SER A 128 9.846 -24.003 -17.158 1.00 26.24 H new TER 1690 SER A 128 HETATM 1691 FE HEM A 129 -5.706 13.800 -3.575 1.00 0.38 FE HETATM 1692 CHA HEM A 129 -6.230 16.535 -5.572 1.00 0.50 C HETATM 1693 CHB HEM A 129 -2.872 12.954 -5.441 1.00 0.41 C HETATM 1694 CHC HEM A 129 -5.165 11.004 -1.566 1.00 0.38 C HETATM 1695 CHD HEM A 129 -8.608 14.501 -1.766 1.00 0.47 C HETATM 1696 NA HEM A 129 -4.706 14.620 -5.195 1.00 0.41 N HETATM 1697 C1A HEM A 129 -5.125 15.732 -5.855 1.00 0.46 C HETATM 1698 C2A HEM A 129 -4.228 15.951 -6.971 1.00 0.49 C HETATM 1699 C3A HEM A 129 -3.264 14.961 -6.924 1.00 0.47 C HETATM 1700 C4A HEM A 129 -3.588 14.107 -5.799 1.00 0.42 C HETATM 1701 CMA HEM A 129 -2.096 14.783 -7.871 1.00 0.54 C HETATM 1702 CAA HEM A 129 -4.382 17.064 -7.990 1.00 0.58 C HETATM 1703 CBA HEM A 129 -5.326 16.981 -9.198 1.00 0.94 C HETATM 1704 CGA HEM A 129 -4.923 16.001 -10.299 1.00 1.22 C HETATM 1705 O1A HEM A 129 -3.898 16.296 -10.953 1.00 2.03 O HETATM 1706 O2A HEM A 129 -5.625 14.980 -10.474 1.00 1.18 O HETATM 1707 NB HEM A 129 -4.262 12.317 -3.475 1.00 0.36 N HETATM 1708 C1B HEM A 129 -3.182 12.198 -4.316 1.00 0.37 C HETATM 1709 C2B HEM A 129 -2.363 11.115 -3.836 1.00 0.37 C HETATM 1710 C3B HEM A 129 -3.046 10.540 -2.795 1.00 0.35 C HETATM 1711 C4B HEM A 129 -4.245 11.300 -2.556 1.00 0.35 C HETATM 1712 CMB HEM A 129 -1.026 10.730 -4.399 1.00 0.43 C HETATM 1713 CAB HEM A 129 -2.632 9.316 -2.002 1.00 0.38 C HETATM 1714 CBB HEM A 129 -2.685 8.069 -2.514 1.00 0.52 C HETATM 1715 NC HEM A 129 -6.713 12.906 -1.963 1.00 0.39 N HETATM 1716 C1C HEM A 129 -6.290 11.775 -1.312 1.00 0.40 C HETATM 1717 C2C HEM A 129 -7.234 11.482 -0.263 1.00 0.49 C HETATM 1718 C3C HEM A 129 -8.233 12.431 -0.362 1.00 0.47 C HETATM 1719 C4C HEM A 129 -7.881 13.361 -1.408 1.00 0.43 C HETATM 1720 CMC HEM A 129 -7.118 10.346 0.721 1.00 0.64 C HETATM 1721 CAC HEM A 129 -9.510 12.501 0.467 1.00 0.55 C HETATM 1722 CBC HEM A 129 -9.658 11.957 1.698 1.00 0.66 C HETATM 1723 ND HEM A 129 -7.156 15.244 -3.660 1.00 0.44 N HETATM 1724 C1D HEM A 129 -8.232 15.346 -2.819 1.00 0.47 C HETATM 1725 C2D HEM A 129 -8.966 16.524 -3.212 1.00 0.54 C HETATM 1726 C3D HEM A 129 -8.404 16.980 -4.386 1.00 0.55 C HETATM 1727 C4D HEM A 129 -7.176 16.243 -4.584 1.00 0.49 C HETATM 1728 CMD HEM A 129 -10.136 17.113 -2.463 1.00 0.62 C HETATM 1729 CAD HEM A 129 -8.957 18.035 -5.318 1.00 0.65 C HETATM 1730 CBD HEM A 129 -9.458 17.751 -6.736 1.00 1.49 C HETATM 1731 CGD HEM A 129 -10.947 17.423 -6.758 1.00 2.30 C HETATM 1732 O1D HEM A 129 -11.699 18.223 -7.356 1.00 3.20 O HETATM 1733 O2D HEM A 129 -11.315 16.377 -6.179 1.00 2.66 O HETATM 0 HMA1 HEM A 129 -2.361 15.173 -8.853 1.00 0.54 H new HETATM 0 HMA2 HEM A 129 -1.854 13.724 -7.955 1.00 0.54 H new HETATM 0 HMA3 HEM A 129 -1.231 15.324 -7.487 1.00 0.54 H new HETATM 0 HMB1 HEM A 129 -0.995 10.974 -5.461 1.00 0.43 H new HETATM 0 HMB2 HEM A 129 -0.871 9.659 -4.268 1.00 0.43 H new HETATM 0 HMB3 HEM A 129 -0.240 11.277 -3.878 1.00 0.43 H new HETATM 0 HMC1 HEM A 129 -6.589 9.514 0.256 1.00 0.64 H new HETATM 0 HMC2 HEM A 129 -8.114 10.021 1.020 1.00 0.64 H new HETATM 0 HMC3 HEM A 129 -6.567 10.681 1.600 1.00 0.64 H new HETATM 0 HMD1 HEM A 129 -10.162 18.191 -2.619 1.00 0.62 H new HETATM 0 HMD2 HEM A 129 -10.030 16.903 -1.399 1.00 0.62 H new HETATM 0 HMD3 HEM A 129 -11.062 16.671 -2.830 1.00 0.62 H new HETATM 0 HBB1 HEM A 129 -2.377 7.217 -1.907 1.00 0.52 H new HETATM 0 HBB2 HEM A 129 -3.036 7.913 -3.534 1.00 0.52 H new HETATM 0 HBC1 HEM A 129 -10.607 12.052 2.225 1.00 0.66 H new HETATM 0 HBC2 HEM A 129 -8.828 11.424 2.162 1.00 0.66 H new HETATM 0 HBA1 HEM A 129 -5.410 17.975 -9.637 1.00 0.94 H new HETATM 0 HBA2 HEM A 129 -6.318 16.706 -8.840 1.00 0.94 H new HETATM 0 HAA1 HEM A 129 -3.386 17.253 -8.391 1.00 0.58 H new HETATM 0 HAA2 HEM A 129 -4.675 17.953 -7.432 1.00 0.58 H new HETATM 0 HBD1 HEM A 129 -8.897 16.918 -7.159 1.00 1.49 H new HETATM 0 HBD2 HEM A 129 -9.268 18.618 -7.369 1.00 1.49 H new HETATM 0 HAD1 HEM A 129 -8.178 18.791 -5.417 1.00 0.65 H new HETATM 0 HAD2 HEM A 129 -9.789 18.501 -4.790 1.00 0.65 H new HETATM 0 HHA HEM A 129 -6.363 17.437 -6.151 1.00 0.50 H new HETATM 0 HHB HEM A 129 -2.047 12.642 -6.064 1.00 0.41 H new HETATM 0 HHC HEM A 129 -4.999 10.126 -0.959 1.00 0.38 H new HETATM 0 HHD HEM A 129 -9.499 14.741 -1.206 1.00 0.47 H new HETATM 0 HAB HEM A 129 -2.278 9.449 -0.980 1.00 0.38 H new HETATM 0 HAC HEM A 129 -10.364 13.026 0.039 1.00 0.55 H new