USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 TYR OH : rot 180:sc= 0.349 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.361 K(o=0.71,f=-0.17) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.926 X(o=1.7,f=1.2) USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0.798 USER MOD Set 3.1: A 14 GLN : amide:sc= 0.62 K(o=1.3,f=-1.8) USER MOD Set 3.2: A 37 LYS NZ :NH3+ -111:sc= 0.686 (180deg=0) USER MOD Set 4.1: A 9 LYS NZ :NH3+ 176:sc= 0.664 (180deg=-0.084) USER MOD Set 4.2: A 15 THR OG1 : rot 150:sc= 0.635 USER MOD Set 5.1: A 5 GLN : amide:sc= 0.0234 K(o=-0.57,f=-3!) USER MOD Set 5.2: A 7 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.684 K(o=0.68,f=-3.2!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 12 GLN : amide:sc= -0.0878 X(o=-0.088,f=-0.088) USER MOD Single : A 13 GLN : amide:sc= -0.786 X(o=-0.79,f=-0.79) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 130:sc= 0.156 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.17) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 1.12 (180deg=0.512) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.178 K(o=0.18,f=-0.36) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.35 (180deg=1.14) USER MOD Single : A 65 TYR OH : rot 130:sc= -0.0763 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0.943 (180deg=0.656) USER MOD Single : A 76 MET CE :methyl -143:sc=-0.00254 (180deg=-0.425) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.523 -17.546 -5.699 1.00 10.00 N ATOM 2 CA GLY A 1 -10.596 -16.410 -5.500 1.00 10.00 C ATOM 3 C GLY A 1 -10.279 -16.201 -4.026 1.00 10.00 C ATOM 4 O GLY A 1 -11.137 -16.422 -3.169 1.00 10.00 O ATOM 0 H1 GLY A 1 -12.235 -17.292 -6.413 1.00 10.00 H new ATOM 0 H2 GLY A 1 -10.989 -18.377 -6.023 1.00 10.00 H new ATOM 0 H3 GLY A 1 -11.998 -17.768 -4.801 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -9.673 -16.592 -6.050 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -11.038 -15.502 -5.911 1.00 10.00 H new ATOM 10 N SER A 2 -9.051 -15.760 -3.723 1.00 10.00 N ATOM 11 CA SER A 2 -8.509 -15.656 -2.347 1.00 10.00 C ATOM 12 C SER A 2 -7.724 -14.355 -2.086 1.00 10.00 C ATOM 13 O SER A 2 -6.986 -14.255 -1.105 1.00 10.00 O ATOM 14 CB SER A 2 -7.623 -16.878 -2.042 1.00 10.00 C ATOM 15 OG SER A 2 -8.313 -18.102 -2.265 1.00 10.00 O ATOM 0 H SER A 2 -8.387 -15.458 -4.436 1.00 10.00 H new ATOM 0 HA SER A 2 -9.368 -15.632 -1.677 1.00 10.00 H new ATOM 0 HB2 SER A 2 -6.731 -16.845 -2.667 1.00 10.00 H new ATOM 0 HB3 SER A 2 -7.288 -16.834 -1.006 1.00 10.00 H new ATOM 0 HG SER A 2 -7.718 -18.854 -2.063 1.00 10.00 H new ATOM 21 N HIS A 3 -7.858 -13.351 -2.957 1.00 10.00 N ATOM 22 CA HIS A 3 -7.206 -12.034 -2.875 1.00 10.00 C ATOM 23 C HIS A 3 -8.216 -10.907 -3.176 1.00 10.00 C ATOM 24 O HIS A 3 -9.295 -11.153 -3.724 1.00 10.00 O ATOM 25 CB HIS A 3 -6.013 -11.972 -3.856 1.00 10.00 C ATOM 26 CG HIS A 3 -4.727 -12.625 -3.395 1.00 10.00 C ATOM 27 ND1 HIS A 3 -4.567 -13.571 -2.406 1.00 10.00 N ATOM 28 CD2 HIS A 3 -3.474 -12.351 -3.879 1.00 10.00 C ATOM 29 CE1 HIS A 3 -3.262 -13.864 -2.299 1.00 10.00 C ATOM 30 NE2 HIS A 3 -2.549 -13.138 -3.178 1.00 10.00 N ATOM 0 H HIS A 3 -8.453 -13.435 -3.781 1.00 10.00 H new ATOM 0 HA HIS A 3 -6.833 -11.892 -1.861 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.317 -12.439 -4.793 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.805 -10.925 -4.075 1.00 10.00 H new ATOM 0 HD1 HIS A 3 -5.316 -13.981 -1.848 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -3.239 -11.649 -4.666 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -2.844 -14.580 -1.607 1.00 10.00 H new ATOM 38 N MET A 4 -7.844 -9.665 -2.855 1.00 10.00 N ATOM 39 CA MET A 4 -8.573 -8.443 -3.219 1.00 10.00 C ATOM 40 C MET A 4 -7.625 -7.422 -3.857 1.00 10.00 C ATOM 41 O MET A 4 -6.423 -7.430 -3.579 1.00 10.00 O ATOM 42 CB MET A 4 -9.289 -7.848 -1.991 1.00 10.00 C ATOM 43 CG MET A 4 -8.341 -7.214 -0.961 1.00 10.00 C ATOM 44 SD MET A 4 -9.191 -6.347 0.385 1.00 10.00 S ATOM 45 CE MET A 4 -7.774 -5.483 1.110 1.00 10.00 C ATOM 0 H MET A 4 -6.999 -9.474 -2.317 1.00 10.00 H new ATOM 0 HA MET A 4 -9.335 -8.701 -3.955 1.00 10.00 H new ATOM 0 HB2 MET A 4 -10.000 -7.093 -2.328 1.00 10.00 H new ATOM 0 HB3 MET A 4 -9.866 -8.634 -1.503 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.709 -7.994 -0.536 1.00 10.00 H new ATOM 0 HG3 MET A 4 -7.682 -6.513 -1.472 1.00 10.00 H new ATOM 0 HE1 MET A 4 -8.106 -4.890 1.962 1.00 10.00 H new ATOM 0 HE2 MET A 4 -7.034 -6.212 1.441 1.00 10.00 H new ATOM 0 HE3 MET A 4 -7.328 -4.826 0.363 1.00 10.00 H new ATOM 55 N GLN A 5 -8.164 -6.520 -4.677 1.00 10.00 N ATOM 56 CA GLN A 5 -7.407 -5.490 -5.385 1.00 10.00 C ATOM 57 C GLN A 5 -7.503 -4.133 -4.667 1.00 10.00 C ATOM 58 O GLN A 5 -8.524 -3.800 -4.060 1.00 10.00 O ATOM 59 CB GLN A 5 -7.892 -5.481 -6.847 1.00 10.00 C ATOM 60 CG GLN A 5 -7.446 -4.305 -7.735 1.00 10.00 C ATOM 61 CD GLN A 5 -8.318 -3.055 -7.591 1.00 10.00 C ATOM 62 OE1 GLN A 5 -7.906 -2.025 -7.078 1.00 10.00 O ATOM 63 NE2 GLN A 5 -9.547 -3.078 -8.058 1.00 10.00 N ATOM 0 H GLN A 5 -9.165 -6.485 -4.872 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.339 -5.708 -5.388 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -7.557 -6.405 -7.319 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -8.982 -5.503 -6.840 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -6.416 -4.048 -7.490 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -7.456 -4.625 -8.777 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -9.912 -3.926 -8.490 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -10.135 -2.247 -7.988 1.00 10.00 H new ATOM 72 N VAL A 6 -6.426 -3.347 -4.744 1.00 10.00 N ATOM 73 CA VAL A 6 -6.301 -1.996 -4.185 1.00 10.00 C ATOM 74 C VAL A 6 -5.568 -1.097 -5.194 1.00 10.00 C ATOM 75 O VAL A 6 -4.608 -1.517 -5.848 1.00 10.00 O ATOM 76 CB VAL A 6 -5.556 -2.025 -2.830 1.00 10.00 C ATOM 77 CG1 VAL A 6 -5.639 -0.658 -2.147 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.128 -3.043 -1.828 1.00 10.00 C ATOM 0 H VAL A 6 -5.576 -3.649 -5.220 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.296 -1.592 -4.001 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.533 -2.307 -3.079 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.110 -0.694 -1.195 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.182 0.097 -2.787 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -6.684 -0.401 -1.972 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -5.554 -3.005 -0.902 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.170 -2.801 -1.619 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -6.066 -4.045 -2.252 1.00 10.00 H new ATOM 88 N THR A 7 -6.013 0.155 -5.312 1.00 10.00 N ATOM 89 CA THR A 7 -5.452 1.179 -6.210 1.00 10.00 C ATOM 90 C THR A 7 -4.542 2.106 -5.407 1.00 10.00 C ATOM 91 O THR A 7 -4.950 2.620 -4.363 1.00 10.00 O ATOM 92 CB THR A 7 -6.595 1.987 -6.846 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.427 1.135 -7.601 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.110 3.075 -7.800 1.00 10.00 C ATOM 0 H THR A 7 -6.803 0.501 -4.767 1.00 10.00 H new ATOM 0 HA THR A 7 -4.874 0.700 -7.000 1.00 10.00 H new ATOM 0 HB THR A 7 -7.121 2.452 -6.012 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.153 1.657 -8.001 1.00 10.00 H new ATOM 0 HG21 THR A 7 -6.968 3.606 -8.213 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.475 3.777 -7.259 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.540 2.621 -8.611 1.00 10.00 H new ATOM 102 N LEU A 8 -3.304 2.319 -5.860 1.00 10.00 N ATOM 103 CA LEU A 8 -2.256 3.007 -5.099 1.00 10.00 C ATOM 104 C LEU A 8 -1.764 4.250 -5.843 1.00 10.00 C ATOM 105 O LEU A 8 -1.298 4.135 -6.976 1.00 10.00 O ATOM 106 CB LEU A 8 -1.062 2.068 -4.833 1.00 10.00 C ATOM 107 CG LEU A 8 -1.367 0.675 -4.259 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.078 0.056 -3.738 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.314 0.695 -3.065 1.00 10.00 C ATOM 0 H LEU A 8 -2.995 2.013 -6.783 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.692 3.311 -4.147 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.524 1.934 -5.772 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.383 2.573 -4.146 1.00 10.00 H new ATOM 0 HG LEU A 8 -1.827 0.119 -5.076 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.288 -0.932 -3.330 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.639 -0.034 -4.554 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.340 0.690 -2.956 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.481 -0.324 -2.716 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -1.874 1.286 -2.262 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.265 1.137 -3.362 1.00 10.00 H new ATOM 121 N LYS A 9 -1.828 5.420 -5.201 1.00 10.00 N ATOM 122 CA LYS A 9 -1.306 6.699 -5.718 1.00 10.00 C ATOM 123 C LYS A 9 0.056 7.013 -5.106 1.00 10.00 C ATOM 124 O LYS A 9 0.306 6.681 -3.950 1.00 10.00 O ATOM 125 CB LYS A 9 -2.273 7.851 -5.391 1.00 10.00 C ATOM 126 CG LYS A 9 -3.617 7.701 -6.113 1.00 10.00 C ATOM 127 CD LYS A 9 -4.492 8.959 -6.035 1.00 10.00 C ATOM 128 CE LYS A 9 -4.021 10.076 -6.980 1.00 10.00 C ATOM 129 NZ LYS A 9 -4.249 9.729 -8.409 1.00 10.00 N ATOM 0 H LYS A 9 -2.256 5.512 -4.280 1.00 10.00 H new ATOM 0 HA LYS A 9 -1.206 6.601 -6.799 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -2.443 7.886 -4.315 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -1.815 8.799 -5.673 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.434 7.459 -7.160 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -4.161 6.861 -5.682 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -5.521 8.695 -6.278 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.492 9.332 -5.011 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -4.549 10.999 -6.742 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -2.960 10.265 -6.818 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -3.981 10.535 -9.009 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -3.672 8.902 -8.662 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.254 9.507 -8.556 1.00 10.00 H new ATOM 143 N THR A 10 0.918 7.706 -5.840 1.00 10.00 N ATOM 144 CA THR A 10 2.252 8.111 -5.364 1.00 10.00 C ATOM 145 C THR A 10 2.273 9.571 -4.894 1.00 10.00 C ATOM 146 O THR A 10 1.367 10.357 -5.185 1.00 10.00 O ATOM 147 CB THR A 10 3.307 7.918 -6.466 1.00 10.00 C ATOM 148 OG1 THR A 10 3.045 8.797 -7.536 1.00 10.00 O ATOM 149 CG2 THR A 10 3.355 6.493 -7.017 1.00 10.00 C ATOM 0 H THR A 10 0.717 8.010 -6.793 1.00 10.00 H new ATOM 0 HA THR A 10 2.491 7.472 -4.514 1.00 10.00 H new ATOM 0 HB THR A 10 4.271 8.128 -6.004 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.720 8.672 -8.235 1.00 10.00 H new ATOM 0 HG21 THR A 10 4.120 6.427 -7.790 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.593 5.799 -6.211 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.386 6.235 -7.443 1.00 10.00 H new ATOM 157 N LEU A 11 3.366 9.970 -4.232 1.00 10.00 N ATOM 158 CA LEU A 11 3.724 11.375 -3.976 1.00 10.00 C ATOM 159 C LEU A 11 4.183 12.136 -5.246 1.00 10.00 C ATOM 160 O LEU A 11 4.614 13.288 -5.170 1.00 10.00 O ATOM 161 CB LEU A 11 4.767 11.435 -2.838 1.00 10.00 C ATOM 162 CG LEU A 11 6.231 11.083 -3.187 1.00 10.00 C ATOM 163 CD1 LEU A 11 7.095 11.271 -1.940 1.00 10.00 C ATOM 164 CD2 LEU A 11 6.429 9.646 -3.680 1.00 10.00 C ATOM 0 H LEU A 11 4.044 9.311 -3.849 1.00 10.00 H new ATOM 0 HA LEU A 11 2.823 11.900 -3.659 1.00 10.00 H new ATOM 0 HB2 LEU A 11 4.754 12.443 -2.424 1.00 10.00 H new ATOM 0 HB3 LEU A 11 4.439 10.761 -2.047 1.00 10.00 H new ATOM 0 HG LEU A 11 6.517 11.748 -4.002 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.131 11.025 -2.175 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.034 12.307 -1.608 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.737 10.614 -1.147 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.483 9.480 -3.903 1.00 10.00 H new ATOM 0 HD22 LEU A 11 6.108 8.948 -2.907 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.838 9.486 -4.581 1.00 10.00 H new ATOM 176 N GLN A 12 4.111 11.478 -6.407 1.00 10.00 N ATOM 177 CA GLN A 12 4.766 11.817 -7.667 1.00 10.00 C ATOM 178 C GLN A 12 3.759 11.769 -8.846 1.00 10.00 C ATOM 179 O GLN A 12 4.136 11.628 -10.010 1.00 10.00 O ATOM 180 CB GLN A 12 5.943 10.826 -7.778 1.00 10.00 C ATOM 181 CG GLN A 12 7.017 11.149 -8.815 1.00 10.00 C ATOM 182 CD GLN A 12 7.700 12.495 -8.578 1.00 10.00 C ATOM 183 OE1 GLN A 12 7.394 13.502 -9.203 1.00 10.00 O ATOM 184 NE2 GLN A 12 8.647 12.574 -7.664 1.00 10.00 N ATOM 0 H GLN A 12 3.550 10.631 -6.493 1.00 10.00 H new ATOM 0 HA GLN A 12 5.144 12.839 -7.702 1.00 10.00 H new ATOM 0 HB2 GLN A 12 6.423 10.757 -6.802 1.00 10.00 H new ATOM 0 HB3 GLN A 12 5.537 9.840 -8.004 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.770 10.361 -8.806 1.00 10.00 H new ATOM 0 HG3 GLN A 12 6.566 11.148 -9.807 1.00 10.00 H new ATOM 0 HE21 GLN A 12 8.915 11.745 -7.134 1.00 10.00 H new ATOM 0 HE22 GLN A 12 9.112 13.464 -7.487 1.00 10.00 H new ATOM 193 N GLN A 13 2.461 11.907 -8.534 1.00 10.00 N ATOM 194 CA GLN A 13 1.346 12.062 -9.480 1.00 10.00 C ATOM 195 C GLN A 13 1.225 10.898 -10.491 1.00 10.00 C ATOM 196 O GLN A 13 1.130 11.099 -11.705 1.00 10.00 O ATOM 197 CB GLN A 13 1.365 13.470 -10.122 1.00 10.00 C ATOM 198 CG GLN A 13 1.225 14.635 -9.119 1.00 10.00 C ATOM 199 CD GLN A 13 2.461 14.867 -8.245 1.00 10.00 C ATOM 200 OE1 GLN A 13 3.568 15.086 -8.721 1.00 10.00 O ATOM 201 NE2 GLN A 13 2.335 14.806 -6.935 1.00 10.00 N ATOM 0 H GLN A 13 2.145 11.914 -7.564 1.00 10.00 H new ATOM 0 HA GLN A 13 0.419 11.993 -8.911 1.00 10.00 H new ATOM 0 HB2 GLN A 13 2.298 13.592 -10.672 1.00 10.00 H new ATOM 0 HB3 GLN A 13 0.556 13.534 -10.849 1.00 10.00 H new ATOM 0 HG2 GLN A 13 1.008 15.550 -9.671 1.00 10.00 H new ATOM 0 HG3 GLN A 13 0.369 14.442 -8.473 1.00 10.00 H new ATOM 0 HE21 GLN A 13 1.422 14.625 -6.518 1.00 10.00 H new ATOM 0 HE22 GLN A 13 3.151 14.940 -6.337 1.00 10.00 H new ATOM 210 N GLN A 14 1.215 9.664 -9.974 1.00 10.00 N ATOM 211 CA GLN A 14 1.047 8.411 -10.709 1.00 10.00 C ATOM 212 C GLN A 14 0.135 7.479 -9.889 1.00 10.00 C ATOM 213 O GLN A 14 0.100 7.579 -8.659 1.00 10.00 O ATOM 214 CB GLN A 14 2.448 7.807 -10.933 1.00 10.00 C ATOM 215 CG GLN A 14 2.436 6.519 -11.763 1.00 10.00 C ATOM 216 CD GLN A 14 3.844 5.973 -11.995 1.00 10.00 C ATOM 217 OE1 GLN A 14 4.307 5.063 -11.316 1.00 10.00 O ATOM 218 NE2 GLN A 14 4.580 6.492 -12.955 1.00 10.00 N ATOM 0 H GLN A 14 1.331 9.507 -8.973 1.00 10.00 H new ATOM 0 HA GLN A 14 0.576 8.564 -11.680 1.00 10.00 H new ATOM 0 HB2 GLN A 14 3.077 8.545 -11.432 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.905 7.601 -9.965 1.00 10.00 H new ATOM 0 HG2 GLN A 14 1.835 5.766 -11.254 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.959 6.712 -12.724 1.00 10.00 H new ATOM 0 HE21 GLN A 14 4.209 7.250 -13.529 1.00 10.00 H new ATOM 0 HE22 GLN A 14 5.521 6.137 -13.125 1.00 10.00 H new ATOM 227 N THR A 15 -0.584 6.565 -10.550 1.00 10.00 N ATOM 228 CA THR A 15 -1.460 5.578 -9.889 1.00 10.00 C ATOM 229 C THR A 15 -1.305 4.189 -10.519 1.00 10.00 C ATOM 230 O THR A 15 -1.133 4.075 -11.735 1.00 10.00 O ATOM 231 CB THR A 15 -2.943 6.000 -9.927 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.104 7.396 -9.739 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.755 5.304 -8.837 1.00 10.00 C ATOM 0 H THR A 15 -0.578 6.485 -11.567 1.00 10.00 H new ATOM 0 HA THR A 15 -1.145 5.535 -8.846 1.00 10.00 H new ATOM 0 HB THR A 15 -3.302 5.711 -10.915 1.00 10.00 H new ATOM 0 HG1 THR A 15 -3.903 7.700 -10.217 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.795 5.627 -8.896 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.702 4.224 -8.977 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.349 5.564 -7.859 1.00 10.00 H new ATOM 241 N PHE A 16 -1.368 3.130 -9.705 1.00 10.00 N ATOM 242 CA PHE A 16 -1.191 1.731 -10.120 1.00 10.00 C ATOM 243 C PHE A 16 -2.117 0.775 -9.344 1.00 10.00 C ATOM 244 O PHE A 16 -2.802 1.181 -8.404 1.00 10.00 O ATOM 245 CB PHE A 16 0.298 1.341 -10.029 1.00 10.00 C ATOM 246 CG PHE A 16 0.947 1.422 -8.657 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.311 2.673 -8.116 1.00 10.00 C ATOM 248 CD2 PHE A 16 1.253 0.246 -7.942 1.00 10.00 C ATOM 249 CE1 PHE A 16 1.950 2.753 -6.866 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.920 0.330 -6.711 1.00 10.00 C ATOM 251 CZ PHE A 16 2.262 1.577 -6.164 1.00 10.00 C ATOM 0 H PHE A 16 -1.550 3.224 -8.706 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.492 1.634 -11.163 1.00 10.00 H new ATOM 0 HB2 PHE A 16 0.404 0.320 -10.395 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.859 1.983 -10.708 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.097 3.577 -8.667 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.974 -0.718 -8.342 1.00 10.00 H new ATOM 0 HE1 PHE A 16 2.200 3.716 -6.447 1.00 10.00 H new ATOM 0 HE2 PHE A 16 2.173 -0.575 -6.178 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.762 1.632 -5.208 1.00 10.00 H new ATOM 261 N LYS A 17 -2.184 -0.491 -9.772 1.00 10.00 N ATOM 262 CA LYS A 17 -3.192 -1.489 -9.368 1.00 10.00 C ATOM 263 C LYS A 17 -2.507 -2.752 -8.840 1.00 10.00 C ATOM 264 O LYS A 17 -1.724 -3.380 -9.554 1.00 10.00 O ATOM 265 CB LYS A 17 -4.084 -1.838 -10.582 1.00 10.00 C ATOM 266 CG LYS A 17 -4.816 -0.651 -11.238 1.00 10.00 C ATOM 267 CD LYS A 17 -5.883 0.006 -10.350 1.00 10.00 C ATOM 268 CE LYS A 17 -7.085 -0.904 -10.047 1.00 10.00 C ATOM 269 NZ LYS A 17 -7.924 -1.165 -11.247 1.00 10.00 N ATOM 0 H LYS A 17 -1.510 -0.868 -10.438 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.809 -1.072 -8.572 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -3.464 -2.321 -11.338 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -4.828 -2.569 -10.265 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -4.081 0.103 -11.519 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -5.288 -0.995 -12.158 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -5.423 0.310 -9.410 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.240 0.913 -10.838 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -6.726 -1.852 -9.647 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.699 -0.443 -9.273 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -8.719 -1.783 -10.987 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -8.291 -0.265 -11.616 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -7.349 -1.630 -11.978 1.00 10.00 H new ATOM 283 N ILE A 18 -2.813 -3.112 -7.596 1.00 10.00 N ATOM 284 CA ILE A 18 -2.151 -4.150 -6.792 1.00 10.00 C ATOM 285 C ILE A 18 -3.196 -5.112 -6.217 1.00 10.00 C ATOM 286 O ILE A 18 -4.337 -4.717 -6.005 1.00 10.00 O ATOM 287 CB ILE A 18 -1.354 -3.443 -5.666 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.198 -2.585 -6.224 1.00 10.00 C ATOM 289 CG2 ILE A 18 -0.809 -4.408 -4.603 1.00 10.00 C ATOM 290 CD1 ILE A 18 0.791 -3.317 -7.144 1.00 10.00 C ATOM 0 H ILE A 18 -3.575 -2.663 -7.087 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.469 -4.740 -7.404 1.00 10.00 H new ATOM 0 HB ILE A 18 -2.080 -2.792 -5.179 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.625 -1.747 -6.774 1.00 10.00 H new ATOM 0 HG13 ILE A 18 0.357 -2.166 -5.385 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -0.262 -3.845 -3.847 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -1.638 -4.937 -4.133 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.139 -5.128 -5.074 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.561 -2.621 -7.478 1.00 10.00 H new ATOM 0 HD12 ILE A 18 1.256 -4.138 -6.598 1.00 10.00 H new ATOM 0 HD13 ILE A 18 0.259 -3.712 -8.009 1.00 10.00 H new ATOM 302 N ASP A 19 -2.824 -6.362 -5.934 1.00 10.00 N ATOM 303 CA ASP A 19 -3.682 -7.343 -5.262 1.00 10.00 C ATOM 304 C ASP A 19 -2.890 -8.195 -4.253 1.00 10.00 C ATOM 305 O ASP A 19 -1.763 -8.613 -4.538 1.00 10.00 O ATOM 306 CB ASP A 19 -4.431 -8.203 -6.295 1.00 10.00 C ATOM 307 CG ASP A 19 -3.522 -9.140 -7.114 1.00 10.00 C ATOM 308 OD1 ASP A 19 -2.794 -8.661 -8.017 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.574 -10.373 -6.892 1.00 10.00 O ATOM 0 H ASP A 19 -1.902 -6.729 -6.169 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.430 -6.802 -4.683 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.180 -8.802 -5.778 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -4.967 -7.545 -6.979 1.00 10.00 H new ATOM 314 N ILE A 20 -3.473 -8.418 -3.069 1.00 10.00 N ATOM 315 CA ILE A 20 -2.965 -9.279 -1.982 1.00 10.00 C ATOM 316 C ILE A 20 -4.136 -9.963 -1.238 1.00 10.00 C ATOM 317 O ILE A 20 -5.302 -9.614 -1.440 1.00 10.00 O ATOM 318 CB ILE A 20 -2.029 -8.525 -0.991 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.735 -7.574 0.005 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.831 -7.828 -1.677 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.561 -6.428 -0.591 1.00 10.00 C ATOM 0 H ILE A 20 -4.362 -7.980 -2.825 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.350 -10.047 -2.451 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.634 -9.338 -0.381 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.392 -8.172 0.636 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.975 -7.141 0.656 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.224 -7.324 -0.925 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.225 -8.572 -2.194 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.199 -7.096 -2.396 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -4.001 -5.839 0.214 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -2.916 -5.791 -1.196 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.355 -6.838 -1.216 1.00 10.00 H new ATOM 333 N ASP A 21 -3.850 -10.928 -0.361 1.00 10.00 N ATOM 334 CA ASP A 21 -4.849 -11.578 0.507 1.00 10.00 C ATOM 335 C ASP A 21 -5.515 -10.563 1.480 1.00 10.00 C ATOM 336 O ASP A 21 -4.795 -9.824 2.162 1.00 10.00 O ATOM 337 CB ASP A 21 -4.152 -12.725 1.257 1.00 10.00 C ATOM 338 CG ASP A 21 -5.103 -13.594 2.099 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.784 -13.055 3.001 1.00 10.00 O ATOM 340 OD2 ASP A 21 -5.141 -14.829 1.881 1.00 10.00 O ATOM 0 H ASP A 21 -2.905 -11.289 -0.228 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.661 -11.979 -0.099 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.641 -13.360 0.534 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -3.386 -12.306 1.910 1.00 10.00 H new ATOM 345 N PRO A 22 -6.862 -10.511 1.589 1.00 10.00 N ATOM 346 CA PRO A 22 -7.580 -9.523 2.409 1.00 10.00 C ATOM 347 C PRO A 22 -7.341 -9.635 3.926 1.00 10.00 C ATOM 348 O PRO A 22 -7.624 -8.689 4.664 1.00 10.00 O ATOM 349 CB PRO A 22 -9.064 -9.716 2.072 1.00 10.00 C ATOM 350 CG PRO A 22 -9.146 -11.172 1.629 1.00 10.00 C ATOM 351 CD PRO A 22 -7.818 -11.371 0.905 1.00 10.00 C ATOM 0 HA PRO A 22 -7.209 -8.526 2.171 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.699 -9.524 2.936 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -9.387 -9.038 1.282 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -9.252 -11.849 2.477 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.997 -11.349 0.972 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.504 -12.414 0.944 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.902 -11.102 -0.148 1.00 10.00 H new ATOM 359 N GLU A 23 -6.807 -10.757 4.410 1.00 10.00 N ATOM 360 CA GLU A 23 -6.544 -11.029 5.829 1.00 10.00 C ATOM 361 C GLU A 23 -5.044 -11.221 6.134 1.00 10.00 C ATOM 362 O GLU A 23 -4.676 -11.512 7.275 1.00 10.00 O ATOM 363 CB GLU A 23 -7.384 -12.228 6.306 1.00 10.00 C ATOM 364 CG GLU A 23 -8.892 -12.023 6.098 1.00 10.00 C ATOM 365 CD GLU A 23 -9.705 -13.100 6.840 1.00 10.00 C ATOM 366 OE1 GLU A 23 -9.986 -14.174 6.254 1.00 10.00 O ATOM 367 OE2 GLU A 23 -10.076 -12.874 8.018 1.00 10.00 O ATOM 0 H GLU A 23 -6.535 -11.532 3.805 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.848 -10.147 6.393 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -7.067 -13.123 5.771 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -7.189 -12.404 7.364 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -9.181 -11.034 6.455 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -9.123 -12.057 5.033 1.00 10.00 H new ATOM 374 N GLU A 24 -4.161 -11.015 5.150 1.00 10.00 N ATOM 375 CA GLU A 24 -2.726 -10.831 5.385 1.00 10.00 C ATOM 376 C GLU A 24 -2.449 -9.389 5.862 1.00 10.00 C ATOM 377 O GLU A 24 -3.310 -8.510 5.745 1.00 10.00 O ATOM 378 CB GLU A 24 -1.988 -11.200 4.087 1.00 10.00 C ATOM 379 CG GLU A 24 -0.460 -11.179 4.151 1.00 10.00 C ATOM 380 CD GLU A 24 0.101 -12.128 5.225 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.188 -11.710 6.404 1.00 10.00 O ATOM 382 OE2 GLU A 24 0.455 -13.287 4.899 1.00 10.00 O ATOM 0 H GLU A 24 -4.424 -10.971 4.165 1.00 10.00 H new ATOM 0 HA GLU A 24 -2.360 -11.481 6.180 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.305 -12.198 3.784 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -2.308 -10.513 3.304 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -0.056 -11.458 3.178 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.123 -10.163 4.357 1.00 10.00 H new ATOM 389 N THR A 25 -1.273 -9.125 6.439 1.00 10.00 N ATOM 390 CA THR A 25 -0.925 -7.800 6.978 1.00 10.00 C ATOM 391 C THR A 25 -0.417 -6.826 5.911 1.00 10.00 C ATOM 392 O THR A 25 -0.007 -7.223 4.816 1.00 10.00 O ATOM 393 CB THR A 25 0.091 -7.883 8.128 1.00 10.00 C ATOM 394 OG1 THR A 25 1.339 -8.336 7.659 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.356 -8.807 9.261 1.00 10.00 C ATOM 0 H THR A 25 -0.534 -9.820 6.547 1.00 10.00 H new ATOM 0 HA THR A 25 -1.863 -7.406 7.368 1.00 10.00 H new ATOM 0 HB THR A 25 0.169 -6.870 8.523 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.045 -7.732 7.972 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.405 -8.821 10.041 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.295 -8.444 9.678 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.497 -9.816 8.873 1.00 10.00 H new ATOM 403 N VAL A 26 -0.407 -5.527 6.239 1.00 10.00 N ATOM 404 CA VAL A 26 0.087 -4.449 5.354 1.00 10.00 C ATOM 405 C VAL A 26 1.531 -4.681 4.899 1.00 10.00 C ATOM 406 O VAL A 26 1.865 -4.296 3.783 1.00 10.00 O ATOM 407 CB VAL A 26 -0.067 -3.069 6.024 1.00 10.00 C ATOM 408 CG1 VAL A 26 0.400 -1.906 5.139 1.00 10.00 C ATOM 409 CG2 VAL A 26 -1.529 -2.794 6.410 1.00 10.00 C ATOM 0 H VAL A 26 -0.745 -5.185 7.138 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.533 -4.467 4.458 1.00 10.00 H new ATOM 0 HB VAL A 26 0.569 -3.118 6.908 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.263 -0.965 5.672 1.00 10.00 H new ATOM 0 HG12 VAL A 26 1.454 -2.035 4.895 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -0.186 -1.890 4.220 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.603 -1.813 6.880 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -2.152 -2.816 5.516 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.871 -3.558 7.109 1.00 10.00 H new ATOM 419 N LYS A 27 2.366 -5.383 5.682 1.00 10.00 N ATOM 420 CA LYS A 27 3.721 -5.805 5.280 1.00 10.00 C ATOM 421 C LYS A 27 3.741 -6.487 3.907 1.00 10.00 C ATOM 422 O LYS A 27 4.592 -6.151 3.094 1.00 10.00 O ATOM 423 CB LYS A 27 4.307 -6.708 6.379 1.00 10.00 C ATOM 424 CG LYS A 27 5.729 -7.200 6.077 1.00 10.00 C ATOM 425 CD LYS A 27 6.288 -7.996 7.266 1.00 10.00 C ATOM 426 CE LYS A 27 7.711 -8.519 7.022 1.00 10.00 C ATOM 427 NZ LYS A 27 7.759 -9.591 5.993 1.00 10.00 N ATOM 0 H LYS A 27 2.117 -5.678 6.626 1.00 10.00 H new ATOM 0 HA LYS A 27 4.345 -4.918 5.171 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.313 -6.161 7.322 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.654 -7.570 6.515 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.722 -7.826 5.184 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.377 -6.349 5.865 1.00 10.00 H new ATOM 0 HD2 LYS A 27 6.287 -7.362 8.153 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.628 -8.838 7.475 1.00 10.00 H new ATOM 0 HE2 LYS A 27 8.349 -7.692 6.710 1.00 10.00 H new ATOM 0 HE3 LYS A 27 8.119 -8.901 7.958 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.736 -9.931 5.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.146 -10.379 6.284 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.428 -9.213 5.082 1.00 10.00 H new ATOM 441 N ALA A 28 2.791 -7.372 3.597 1.00 10.00 N ATOM 442 CA ALA A 28 2.739 -8.054 2.298 1.00 10.00 C ATOM 443 C ALA A 28 2.477 -7.087 1.122 1.00 10.00 C ATOM 444 O ALA A 28 3.180 -7.120 0.110 1.00 10.00 O ATOM 445 CB ALA A 28 1.669 -9.147 2.381 1.00 10.00 C ATOM 0 H ALA A 28 2.039 -7.636 4.234 1.00 10.00 H new ATOM 0 HA ALA A 28 3.714 -8.495 2.090 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.609 -9.671 1.427 1.00 10.00 H new ATOM 0 HB2 ALA A 28 1.932 -9.854 3.168 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.704 -8.695 2.608 1.00 10.00 H new ATOM 451 N LEU A 29 1.505 -6.182 1.278 1.00 10.00 N ATOM 452 CA LEU A 29 1.174 -5.106 0.344 1.00 10.00 C ATOM 453 C LEU A 29 2.337 -4.105 0.193 1.00 10.00 C ATOM 454 O LEU A 29 2.616 -3.628 -0.903 1.00 10.00 O ATOM 455 CB LEU A 29 -0.130 -4.469 0.882 1.00 10.00 C ATOM 456 CG LEU A 29 -0.446 -3.045 0.412 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.666 -2.944 -1.099 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.721 -2.535 1.083 1.00 10.00 C ATOM 0 H LEU A 29 0.900 -6.182 2.099 1.00 10.00 H new ATOM 0 HA LEU A 29 1.017 -5.477 -0.669 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.964 -5.113 0.602 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -0.083 -4.465 1.971 1.00 10.00 H new ATOM 0 HG LEU A 29 0.424 -2.448 0.685 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.886 -1.910 -1.366 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.234 -3.270 -1.620 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.503 -3.579 -1.388 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.933 -1.522 0.740 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.555 -3.188 0.824 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.586 -2.530 2.165 1.00 10.00 H new ATOM 470 N LYS A 30 3.023 -3.772 1.283 1.00 10.00 N ATOM 471 CA LYS A 30 4.096 -2.774 1.321 1.00 10.00 C ATOM 472 C LYS A 30 5.446 -3.301 0.837 1.00 10.00 C ATOM 473 O LYS A 30 6.169 -2.580 0.151 1.00 10.00 O ATOM 474 CB LYS A 30 4.064 -2.197 2.750 1.00 10.00 C ATOM 475 CG LYS A 30 5.041 -1.078 3.132 1.00 10.00 C ATOM 476 CD LYS A 30 6.399 -1.610 3.620 1.00 10.00 C ATOM 477 CE LYS A 30 7.157 -0.624 4.524 1.00 10.00 C ATOM 478 NZ LYS A 30 6.429 -0.332 5.785 1.00 10.00 N ATOM 0 H LYS A 30 2.845 -4.199 2.192 1.00 10.00 H new ATOM 0 HA LYS A 30 3.935 -1.972 0.601 1.00 10.00 H new ATOM 0 HB2 LYS A 30 3.055 -1.826 2.931 1.00 10.00 H new ATOM 0 HB3 LYS A 30 4.228 -3.024 3.441 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.199 -0.430 2.270 1.00 10.00 H new ATOM 0 HG3 LYS A 30 4.595 -0.464 3.914 1.00 10.00 H new ATOM 0 HD2 LYS A 30 6.241 -2.541 4.164 1.00 10.00 H new ATOM 0 HD3 LYS A 30 7.019 -1.848 2.755 1.00 10.00 H new ATOM 0 HE2 LYS A 30 8.138 -1.035 4.762 1.00 10.00 H new ATOM 0 HE3 LYS A 30 7.324 0.306 3.981 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 7.100 0.012 6.501 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 5.707 0.396 5.609 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 5.969 -1.199 6.129 1.00 10.00 H new ATOM 492 N GLU A 31 5.769 -4.565 1.101 1.00 10.00 N ATOM 493 CA GLU A 31 6.945 -5.225 0.524 1.00 10.00 C ATOM 494 C GLU A 31 6.820 -5.433 -0.988 1.00 10.00 C ATOM 495 O GLU A 31 7.799 -5.207 -1.703 1.00 10.00 O ATOM 496 CB GLU A 31 7.230 -6.572 1.209 1.00 10.00 C ATOM 497 CG GLU A 31 7.822 -6.392 2.613 1.00 10.00 C ATOM 498 CD GLU A 31 8.257 -7.737 3.223 1.00 10.00 C ATOM 499 OE1 GLU A 31 7.413 -8.649 3.393 1.00 10.00 O ATOM 500 OE2 GLU A 31 9.448 -7.891 3.585 1.00 10.00 O ATOM 0 H GLU A 31 5.224 -5.164 1.721 1.00 10.00 H new ATOM 0 HA GLU A 31 7.783 -4.551 0.702 1.00 10.00 H new ATOM 0 HB2 GLU A 31 6.306 -7.146 1.277 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.921 -7.151 0.596 1.00 10.00 H new ATOM 0 HG2 GLU A 31 8.679 -5.720 2.563 1.00 10.00 H new ATOM 0 HG3 GLU A 31 7.084 -5.920 3.262 1.00 10.00 H new ATOM 507 N LYS A 32 5.646 -5.835 -1.508 1.00 10.00 N ATOM 508 CA LYS A 32 5.539 -6.217 -2.923 1.00 10.00 C ATOM 509 C LYS A 32 5.783 -5.062 -3.906 1.00 10.00 C ATOM 510 O LYS A 32 6.333 -5.298 -4.980 1.00 10.00 O ATOM 511 CB LYS A 32 4.206 -6.946 -3.154 1.00 10.00 C ATOM 512 CG LYS A 32 2.992 -6.007 -3.249 1.00 10.00 C ATOM 513 CD LYS A 32 2.602 -5.661 -4.700 1.00 10.00 C ATOM 514 CE LYS A 32 2.193 -6.861 -5.585 1.00 10.00 C ATOM 515 NZ LYS A 32 1.226 -7.797 -4.940 1.00 10.00 N ATOM 0 H LYS A 32 4.776 -5.902 -0.980 1.00 10.00 H new ATOM 0 HA LYS A 32 6.354 -6.906 -3.144 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.276 -7.528 -4.073 1.00 10.00 H new ATOM 0 HB3 LYS A 32 4.044 -7.653 -2.340 1.00 10.00 H new ATOM 0 HG2 LYS A 32 2.141 -6.473 -2.752 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.211 -5.086 -2.709 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.775 -4.952 -4.676 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.443 -5.154 -5.172 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.755 -6.484 -6.509 1.00 10.00 H new ATOM 0 HE3 LYS A 32 3.089 -7.416 -5.861 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 1.003 -8.572 -5.596 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.647 -8.188 -4.073 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 0.353 -7.284 -4.701 1.00 10.00 H new ATOM 529 N ILE A 33 5.402 -3.821 -3.567 1.00 10.00 N ATOM 530 CA ILE A 33 5.508 -2.681 -4.498 1.00 10.00 C ATOM 531 C ILE A 33 6.956 -2.190 -4.670 1.00 10.00 C ATOM 532 O ILE A 33 7.281 -1.591 -5.695 1.00 10.00 O ATOM 533 CB ILE A 33 4.529 -1.532 -4.167 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.887 -0.661 -2.943 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.103 -2.085 -4.032 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.742 0.556 -3.324 1.00 10.00 C ATOM 0 H ILE A 33 5.017 -3.578 -2.654 1.00 10.00 H new ATOM 0 HA ILE A 33 5.196 -3.065 -5.469 1.00 10.00 H new ATOM 0 HB ILE A 33 4.609 -0.848 -5.012 1.00 10.00 H new ATOM 0 HG12 ILE A 33 3.970 -0.322 -2.461 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.425 -1.267 -2.214 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.417 -1.270 -3.799 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.804 -2.553 -4.970 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.074 -2.824 -3.232 1.00 10.00 H new ATOM 0 HD11 ILE A 33 5.967 1.137 -2.430 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.672 0.218 -3.781 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.194 1.178 -4.032 1.00 10.00 H new ATOM 548 N GLU A 34 7.855 -2.505 -3.727 1.00 10.00 N ATOM 549 CA GLU A 34 9.308 -2.323 -3.907 1.00 10.00 C ATOM 550 C GLU A 34 9.826 -3.077 -5.149 1.00 10.00 C ATOM 551 O GLU A 34 10.688 -2.568 -5.863 1.00 10.00 O ATOM 552 CB GLU A 34 10.064 -2.774 -2.641 1.00 10.00 C ATOM 553 CG GLU A 34 11.553 -2.393 -2.655 1.00 10.00 C ATOM 554 CD GLU A 34 12.306 -2.969 -1.439 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.624 -4.183 -1.441 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.609 -2.208 -0.489 1.00 10.00 O ATOM 0 H GLU A 34 7.599 -2.893 -2.819 1.00 10.00 H new ATOM 0 HA GLU A 34 9.494 -1.261 -4.069 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.590 -2.330 -1.766 1.00 10.00 H new ATOM 0 HB3 GLU A 34 9.974 -3.855 -2.538 1.00 10.00 H new ATOM 0 HG2 GLU A 34 12.013 -2.759 -3.573 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.650 -1.307 -2.661 1.00 10.00 H new ATOM 563 N SER A 35 9.258 -4.246 -5.471 1.00 10.00 N ATOM 564 CA SER A 35 9.576 -5.007 -6.694 1.00 10.00 C ATOM 565 C SER A 35 8.975 -4.403 -7.977 1.00 10.00 C ATOM 566 O SER A 35 9.385 -4.776 -9.077 1.00 10.00 O ATOM 567 CB SER A 35 9.099 -6.460 -6.566 1.00 10.00 C ATOM 568 OG SER A 35 9.664 -7.083 -5.419 1.00 10.00 O ATOM 0 H SER A 35 8.556 -4.698 -4.885 1.00 10.00 H new ATOM 0 HA SER A 35 10.661 -4.961 -6.788 1.00 10.00 H new ATOM 0 HB2 SER A 35 8.011 -6.485 -6.499 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.376 -7.018 -7.461 1.00 10.00 H new ATOM 0 HG SER A 35 9.344 -8.007 -5.358 1.00 10.00 H new ATOM 574 N GLU A 36 8.024 -3.468 -7.863 1.00 10.00 N ATOM 575 CA GLU A 36 7.321 -2.848 -8.999 1.00 10.00 C ATOM 576 C GLU A 36 7.894 -1.470 -9.374 1.00 10.00 C ATOM 577 O GLU A 36 8.007 -1.159 -10.563 1.00 10.00 O ATOM 578 CB GLU A 36 5.822 -2.700 -8.672 1.00 10.00 C ATOM 579 CG GLU A 36 5.092 -4.025 -8.401 1.00 10.00 C ATOM 580 CD GLU A 36 5.137 -4.982 -9.609 1.00 10.00 C ATOM 581 OE1 GLU A 36 4.567 -4.648 -10.676 1.00 10.00 O ATOM 582 OE2 GLU A 36 5.731 -6.082 -9.500 1.00 10.00 O ATOM 0 H GLU A 36 7.713 -3.112 -6.959 1.00 10.00 H new ATOM 0 HA GLU A 36 7.463 -3.508 -9.855 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.716 -2.057 -7.798 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.331 -2.193 -9.503 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.542 -4.514 -7.537 1.00 10.00 H new ATOM 0 HG3 GLU A 36 4.053 -3.818 -8.144 1.00 10.00 H new ATOM 589 N LYS A 37 8.279 -0.651 -8.381 1.00 10.00 N ATOM 590 CA LYS A 37 8.852 0.702 -8.578 1.00 10.00 C ATOM 591 C LYS A 37 10.358 0.778 -8.283 1.00 10.00 C ATOM 592 O LYS A 37 11.030 1.684 -8.777 1.00 10.00 O ATOM 593 CB LYS A 37 8.084 1.741 -7.742 1.00 10.00 C ATOM 594 CG LYS A 37 6.778 2.259 -8.369 1.00 10.00 C ATOM 595 CD LYS A 37 5.676 1.201 -8.519 1.00 10.00 C ATOM 596 CE LYS A 37 4.350 1.806 -8.993 1.00 10.00 C ATOM 597 NZ LYS A 37 4.418 2.331 -10.383 1.00 10.00 N ATOM 0 H LYS A 37 8.201 -0.911 -7.398 1.00 10.00 H new ATOM 0 HA LYS A 37 8.737 0.931 -9.637 1.00 10.00 H new ATOM 0 HB2 LYS A 37 7.852 1.302 -6.772 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.741 2.591 -7.558 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.397 3.077 -7.758 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.002 2.673 -9.352 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.000 0.440 -9.229 1.00 10.00 H new ATOM 0 HD3 LYS A 37 5.523 0.700 -7.563 1.00 10.00 H new ATOM 0 HE2 LYS A 37 3.569 1.048 -8.934 1.00 10.00 H new ATOM 0 HE3 LYS A 37 4.063 2.613 -8.319 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 4.355 3.369 -10.366 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 5.319 2.046 -10.818 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 3.628 1.946 -10.939 1.00 10.00 H new ATOM 611 N GLY A 38 10.890 -0.176 -7.519 1.00 10.00 N ATOM 612 CA GLY A 38 12.311 -0.331 -7.205 1.00 10.00 C ATOM 613 C GLY A 38 12.666 0.079 -5.772 1.00 10.00 C ATOM 614 O GLY A 38 12.137 1.057 -5.232 1.00 10.00 O ATOM 0 H GLY A 38 10.315 -0.896 -7.081 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.598 -1.371 -7.359 1.00 10.00 H new ATOM 0 HA3 GLY A 38 12.897 0.268 -7.902 1.00 10.00 H new ATOM 618 N LYS A 39 13.650 -0.616 -5.189 1.00 10.00 N ATOM 619 CA LYS A 39 14.362 -0.266 -3.952 1.00 10.00 C ATOM 620 C LYS A 39 14.870 1.183 -3.937 1.00 10.00 C ATOM 621 O LYS A 39 14.843 1.846 -2.905 1.00 10.00 O ATOM 622 CB LYS A 39 15.512 -1.285 -3.846 1.00 10.00 C ATOM 623 CG LYS A 39 16.434 -1.117 -2.640 1.00 10.00 C ATOM 624 CD LYS A 39 15.724 -1.441 -1.325 1.00 10.00 C ATOM 625 CE LYS A 39 16.733 -1.247 -0.199 1.00 10.00 C ATOM 626 NZ LYS A 39 16.202 -1.728 1.102 1.00 10.00 N ATOM 0 H LYS A 39 13.991 -1.489 -5.591 1.00 10.00 H new ATOM 0 HA LYS A 39 13.694 -0.315 -3.092 1.00 10.00 H new ATOM 0 HB2 LYS A 39 15.084 -2.287 -3.817 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.114 -1.222 -4.752 1.00 10.00 H new ATOM 0 HG2 LYS A 39 17.301 -1.768 -2.753 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.806 -0.093 -2.608 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.862 -0.789 -1.184 1.00 10.00 H new ATOM 0 HD3 LYS A 39 15.351 -2.465 -1.333 1.00 10.00 H new ATOM 0 HE2 LYS A 39 17.652 -1.782 -0.437 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.991 -0.191 -0.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.915 -1.580 1.844 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.339 -1.200 1.341 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.980 -2.742 1.033 1.00 10.00 H new ATOM 640 N ASP A 40 15.289 1.682 -5.098 1.00 10.00 N ATOM 641 CA ASP A 40 15.769 3.054 -5.322 1.00 10.00 C ATOM 642 C ASP A 40 14.677 4.145 -5.230 1.00 10.00 C ATOM 643 O ASP A 40 15.010 5.333 -5.200 1.00 10.00 O ATOM 644 CB ASP A 40 16.451 3.120 -6.699 1.00 10.00 C ATOM 645 CG ASP A 40 17.692 2.217 -6.778 1.00 10.00 C ATOM 646 OD1 ASP A 40 18.780 2.636 -6.314 1.00 10.00 O ATOM 647 OD2 ASP A 40 17.583 1.084 -7.308 1.00 10.00 O ATOM 0 H ASP A 40 15.306 1.120 -5.949 1.00 10.00 H new ATOM 0 HA ASP A 40 16.466 3.272 -4.513 1.00 10.00 H new ATOM 0 HB2 ASP A 40 15.739 2.824 -7.469 1.00 10.00 H new ATOM 0 HB3 ASP A 40 16.739 4.150 -6.910 1.00 10.00 H new ATOM 652 N ALA A 41 13.389 3.774 -5.180 1.00 10.00 N ATOM 653 CA ALA A 41 12.253 4.706 -5.239 1.00 10.00 C ATOM 654 C ALA A 41 11.212 4.507 -4.118 1.00 10.00 C ATOM 655 O ALA A 41 10.644 5.492 -3.645 1.00 10.00 O ATOM 656 CB ALA A 41 11.601 4.572 -6.621 1.00 10.00 C ATOM 0 H ALA A 41 13.102 2.799 -5.096 1.00 10.00 H new ATOM 0 HA ALA A 41 12.641 5.712 -5.080 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.754 5.254 -6.691 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.330 4.818 -7.393 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.255 3.548 -6.762 1.00 10.00 H new ATOM 662 N PHE A 42 10.995 3.269 -3.658 1.00 10.00 N ATOM 663 CA PHE A 42 10.073 2.920 -2.565 1.00 10.00 C ATOM 664 C PHE A 42 10.673 1.837 -1.639 1.00 10.00 C ATOM 665 O PHE A 42 10.145 0.723 -1.555 1.00 10.00 O ATOM 666 CB PHE A 42 8.698 2.525 -3.138 1.00 10.00 C ATOM 667 CG PHE A 42 7.872 3.685 -3.662 1.00 10.00 C ATOM 668 CD1 PHE A 42 7.034 4.403 -2.786 1.00 10.00 C ATOM 669 CD2 PHE A 42 7.943 4.054 -5.018 1.00 10.00 C ATOM 670 CE1 PHE A 42 6.285 5.495 -3.262 1.00 10.00 C ATOM 671 CE2 PHE A 42 7.190 5.142 -5.495 1.00 10.00 C ATOM 672 CZ PHE A 42 6.366 5.866 -4.616 1.00 10.00 C ATOM 0 H PHE A 42 11.470 2.455 -4.047 1.00 10.00 H new ATOM 0 HA PHE A 42 9.924 3.798 -1.936 1.00 10.00 H new ATOM 0 HB2 PHE A 42 8.849 1.810 -3.946 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.129 2.013 -2.361 1.00 10.00 H new ATOM 0 HD1 PHE A 42 6.966 4.115 -1.747 1.00 10.00 H new ATOM 0 HD2 PHE A 42 8.577 3.500 -5.694 1.00 10.00 H new ATOM 0 HE1 PHE A 42 5.648 6.048 -2.588 1.00 10.00 H new ATOM 0 HE2 PHE A 42 7.245 5.421 -6.537 1.00 10.00 H new ATOM 0 HZ PHE A 42 5.795 6.707 -4.981 1.00 10.00 H new ATOM 682 N PRO A 43 11.790 2.123 -0.939 1.00 10.00 N ATOM 683 CA PRO A 43 12.434 1.162 -0.044 1.00 10.00 C ATOM 684 C PRO A 43 11.526 0.795 1.138 1.00 10.00 C ATOM 685 O PRO A 43 10.985 1.677 1.805 1.00 10.00 O ATOM 686 CB PRO A 43 13.734 1.825 0.419 1.00 10.00 C ATOM 687 CG PRO A 43 13.424 3.313 0.311 1.00 10.00 C ATOM 688 CD PRO A 43 12.484 3.403 -0.889 1.00 10.00 C ATOM 0 HA PRO A 43 12.636 0.220 -0.554 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.990 1.540 1.439 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.577 1.543 -0.212 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.952 3.690 1.218 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.329 3.900 0.155 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.779 4.227 -0.774 1.00 10.00 H new ATOM 0 HD3 PRO A 43 13.039 3.584 -1.809 1.00 10.00 H new ATOM 696 N VAL A 44 11.392 -0.495 1.458 1.00 10.00 N ATOM 697 CA VAL A 44 10.613 -0.991 2.619 1.00 10.00 C ATOM 698 C VAL A 44 11.071 -0.363 3.947 1.00 10.00 C ATOM 699 O VAL A 44 10.252 -0.120 4.833 1.00 10.00 O ATOM 700 CB VAL A 44 10.652 -2.535 2.667 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.019 -3.161 3.920 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.881 -3.095 1.468 1.00 10.00 C ATOM 0 H VAL A 44 11.824 -1.243 0.916 1.00 10.00 H new ATOM 0 HA VAL A 44 9.578 -0.678 2.483 1.00 10.00 H new ATOM 0 HB VAL A 44 11.712 -2.790 2.666 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.095 -4.247 3.862 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.543 -2.808 4.808 1.00 10.00 H new ATOM 0 HG13 VAL A 44 8.969 -2.873 3.980 1.00 10.00 H new ATOM 0 HG21 VAL A 44 9.905 -4.184 1.497 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.847 -2.754 1.509 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.342 -2.746 0.544 1.00 10.00 H new ATOM 712 N ALA A 45 12.356 -0.017 4.059 1.00 10.00 N ATOM 713 CA ALA A 45 12.945 0.686 5.201 1.00 10.00 C ATOM 714 C ALA A 45 12.478 2.151 5.392 1.00 10.00 C ATOM 715 O ALA A 45 12.752 2.737 6.444 1.00 10.00 O ATOM 716 CB ALA A 45 14.467 0.630 5.031 1.00 10.00 C ATOM 0 H ALA A 45 13.039 -0.226 3.331 1.00 10.00 H new ATOM 0 HA ALA A 45 12.604 0.181 6.105 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.945 1.145 5.864 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.793 -0.410 5.011 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.747 1.116 4.096 1.00 10.00 H new ATOM 722 N GLY A 46 11.801 2.758 4.405 1.00 10.00 N ATOM 723 CA GLY A 46 11.461 4.190 4.404 1.00 10.00 C ATOM 724 C GLY A 46 10.129 4.581 3.750 1.00 10.00 C ATOM 725 O GLY A 46 9.737 5.745 3.865 1.00 10.00 O ATOM 0 H GLY A 46 11.471 2.264 3.576 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.448 4.537 5.437 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.261 4.729 3.896 1.00 10.00 H new ATOM 729 N GLN A 47 9.413 3.662 3.087 1.00 10.00 N ATOM 730 CA GLN A 47 8.068 3.941 2.559 1.00 10.00 C ATOM 731 C GLN A 47 6.965 3.836 3.634 1.00 10.00 C ATOM 732 O GLN A 47 7.057 3.046 4.579 1.00 10.00 O ATOM 733 CB GLN A 47 7.748 3.099 1.306 1.00 10.00 C ATOM 734 CG GLN A 47 7.495 1.609 1.569 1.00 10.00 C ATOM 735 CD GLN A 47 6.825 0.920 0.384 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.623 1.019 0.185 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.545 0.187 -0.433 1.00 10.00 N ATOM 0 H GLN A 47 9.744 2.715 2.903 1.00 10.00 H new ATOM 0 HA GLN A 47 8.078 4.984 2.243 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.868 3.520 0.819 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.576 3.192 0.604 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.442 1.114 1.787 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.867 1.499 2.453 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.549 0.093 -0.283 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.100 -0.288 -1.218 1.00 10.00 H new ATOM 746 N LYS A 48 5.896 4.616 3.447 1.00 10.00 N ATOM 747 CA LYS A 48 4.730 4.791 4.329 1.00 10.00 C ATOM 748 C LYS A 48 3.442 4.873 3.499 1.00 10.00 C ATOM 749 O LYS A 48 3.483 5.212 2.316 1.00 10.00 O ATOM 750 CB LYS A 48 4.895 6.082 5.153 1.00 10.00 C ATOM 751 CG LYS A 48 6.237 6.159 5.899 1.00 10.00 C ATOM 752 CD LYS A 48 6.287 7.311 6.908 1.00 10.00 C ATOM 753 CE LYS A 48 6.278 8.692 6.236 1.00 10.00 C ATOM 754 NZ LYS A 48 6.276 9.787 7.243 1.00 10.00 N ATOM 0 H LYS A 48 5.814 5.189 2.607 1.00 10.00 H new ATOM 0 HA LYS A 48 4.664 3.934 5.000 1.00 10.00 H new ATOM 0 HB2 LYS A 48 4.806 6.942 4.490 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.081 6.151 5.875 1.00 10.00 H new ATOM 0 HG2 LYS A 48 6.413 5.218 6.419 1.00 10.00 H new ATOM 0 HG3 LYS A 48 7.044 6.279 5.176 1.00 10.00 H new ATOM 0 HD2 LYS A 48 5.434 7.235 7.582 1.00 10.00 H new ATOM 0 HD3 LYS A 48 7.185 7.215 7.518 1.00 10.00 H new ATOM 0 HE2 LYS A 48 7.152 8.790 5.592 1.00 10.00 H new ATOM 0 HE3 LYS A 48 5.399 8.782 5.597 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 6.270 10.706 6.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 5.429 9.707 7.842 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 7.127 9.715 7.836 1.00 10.00 H new ATOM 768 N LEU A 49 2.301 4.590 4.125 1.00 10.00 N ATOM 769 CA LEU A 49 0.973 4.512 3.505 1.00 10.00 C ATOM 770 C LEU A 49 -0.064 5.367 4.264 1.00 10.00 C ATOM 771 O LEU A 49 -0.026 5.446 5.494 1.00 10.00 O ATOM 772 CB LEU A 49 0.489 3.044 3.476 1.00 10.00 C ATOM 773 CG LEU A 49 1.061 2.129 2.380 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.498 1.659 2.621 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.199 0.867 2.277 1.00 10.00 C ATOM 0 H LEU A 49 2.273 4.399 5.127 1.00 10.00 H new ATOM 0 HA LEU A 49 1.064 4.900 2.490 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.718 2.595 4.442 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.596 3.050 3.377 1.00 10.00 H new ATOM 0 HG LEU A 49 1.057 2.734 1.473 1.00 10.00 H new ATOM 0 HD11 LEU A 49 2.815 1.020 1.797 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.158 2.524 2.684 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.546 1.098 3.554 1.00 10.00 H new ATOM 0 HD21 LEU A 49 0.600 0.215 1.501 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.207 0.342 3.232 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.824 1.145 2.024 1.00 10.00 H new ATOM 787 N ILE A 50 -1.049 5.910 3.537 1.00 10.00 N ATOM 788 CA ILE A 50 -2.279 6.529 4.077 1.00 10.00 C ATOM 789 C ILE A 50 -3.501 6.079 3.266 1.00 10.00 C ATOM 790 O ILE A 50 -3.475 6.092 2.037 1.00 10.00 O ATOM 791 CB ILE A 50 -2.172 8.079 4.077 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.254 8.619 5.195 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.545 8.774 4.200 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.782 8.420 6.625 1.00 10.00 C ATOM 0 H ILE A 50 -1.015 5.934 2.518 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.399 6.199 5.109 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.733 8.317 3.108 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.282 8.133 5.112 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -1.093 9.684 5.029 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.407 9.855 4.195 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.176 8.484 3.360 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.023 8.474 5.133 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -1.067 8.832 7.337 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.739 8.931 6.734 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -1.915 7.356 6.819 1.00 10.00 H new ATOM 806 N TYR A 51 -4.607 5.775 3.951 1.00 10.00 N ATOM 807 CA TYR A 51 -5.909 5.470 3.348 1.00 10.00 C ATOM 808 C TYR A 51 -6.930 6.546 3.739 1.00 10.00 C ATOM 809 O TYR A 51 -7.623 6.434 4.750 1.00 10.00 O ATOM 810 CB TYR A 51 -6.348 4.037 3.702 1.00 10.00 C ATOM 811 CG TYR A 51 -7.689 3.615 3.122 1.00 10.00 C ATOM 812 CD1 TYR A 51 -7.933 3.741 1.739 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.686 3.072 3.958 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.169 3.342 1.197 1.00 10.00 C ATOM 815 CE2 TYR A 51 -9.920 2.659 3.417 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.170 2.804 2.034 1.00 10.00 C ATOM 817 OH TYR A 51 -11.356 2.401 1.496 1.00 10.00 O ATOM 0 H TYR A 51 -4.622 5.733 4.970 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.832 5.496 2.261 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.584 3.342 3.354 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.393 3.944 4.787 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.168 4.145 1.093 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.503 2.972 5.018 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.352 3.448 0.138 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -10.675 2.231 4.060 1.00 10.00 H new ATOM 0 HH TYR A 51 -11.936 2.054 2.206 1.00 10.00 H new ATOM 827 N ALA A 52 -6.954 7.638 2.965 1.00 10.00 N ATOM 828 CA ALA A 52 -7.881 8.777 3.081 1.00 10.00 C ATOM 829 C ALA A 52 -7.996 9.418 4.492 1.00 10.00 C ATOM 830 O ALA A 52 -9.020 10.018 4.829 1.00 10.00 O ATOM 831 CB ALA A 52 -9.230 8.354 2.476 1.00 10.00 C ATOM 0 H ALA A 52 -6.292 7.760 2.198 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.461 9.607 2.512 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.937 9.181 2.549 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.091 8.087 1.428 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.620 7.494 3.021 1.00 10.00 H new ATOM 837 N GLY A 53 -6.956 9.277 5.324 1.00 10.00 N ATOM 838 CA GLY A 53 -6.886 9.793 6.702 1.00 10.00 C ATOM 839 C GLY A 53 -6.523 8.740 7.759 1.00 10.00 C ATOM 840 O GLY A 53 -6.294 9.094 8.918 1.00 10.00 O ATOM 0 H GLY A 53 -6.108 8.783 5.048 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.149 10.595 6.739 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.849 10.233 6.961 1.00 10.00 H new ATOM 844 N LYS A 54 -6.454 7.456 7.378 1.00 10.00 N ATOM 845 CA LYS A 54 -6.086 6.326 8.248 1.00 10.00 C ATOM 846 C LYS A 54 -4.625 5.956 8.013 1.00 10.00 C ATOM 847 O LYS A 54 -4.154 5.997 6.875 1.00 10.00 O ATOM 848 CB LYS A 54 -6.972 5.095 7.962 1.00 10.00 C ATOM 849 CG LYS A 54 -8.416 5.177 8.485 1.00 10.00 C ATOM 850 CD LYS A 54 -9.359 6.056 7.649 1.00 10.00 C ATOM 851 CE LYS A 54 -10.787 5.964 8.199 1.00 10.00 C ATOM 852 NZ LYS A 54 -11.731 6.795 7.408 1.00 10.00 N ATOM 0 H LYS A 54 -6.660 7.164 6.423 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.235 6.630 9.284 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -7.004 4.936 6.884 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.496 4.218 8.400 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.828 4.169 8.531 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.396 5.560 9.505 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -9.018 7.091 7.670 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.340 5.735 6.607 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.117 4.925 8.186 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.799 6.289 9.239 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -12.687 6.709 7.807 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -11.430 7.790 7.441 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.738 6.468 6.421 1.00 10.00 H new ATOM 866 N ILE A 55 -3.933 5.557 9.079 1.00 10.00 N ATOM 867 CA ILE A 55 -2.508 5.199 9.070 1.00 10.00 C ATOM 868 C ILE A 55 -2.398 3.669 9.130 1.00 10.00 C ATOM 869 O ILE A 55 -2.715 3.049 10.149 1.00 10.00 O ATOM 870 CB ILE A 55 -1.760 5.876 10.247 1.00 10.00 C ATOM 871 CG1 ILE A 55 -1.927 7.415 10.231 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.263 5.508 10.194 1.00 10.00 C ATOM 873 CD1 ILE A 55 -1.455 8.107 11.516 1.00 10.00 C ATOM 0 H ILE A 55 -4.358 5.470 10.002 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.036 5.558 8.156 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.199 5.508 11.175 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -1.371 7.822 9.386 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -2.978 7.655 10.066 1.00 10.00 H new ATOM 0 HG21 ILE A 55 0.259 5.986 11.023 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.151 4.426 10.270 1.00 10.00 H new ATOM 0 HG23 ILE A 55 0.163 5.851 9.251 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -1.605 9.183 11.426 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -2.028 7.730 12.364 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -0.396 7.900 11.673 1.00 10.00 H new ATOM 885 N LEU A 56 -1.993 3.058 8.016 1.00 10.00 N ATOM 886 CA LEU A 56 -1.855 1.606 7.872 1.00 10.00 C ATOM 887 C LEU A 56 -0.646 1.076 8.677 1.00 10.00 C ATOM 888 O LEU A 56 0.350 1.785 8.848 1.00 10.00 O ATOM 889 CB LEU A 56 -1.714 1.247 6.379 1.00 10.00 C ATOM 890 CG LEU A 56 -2.859 1.612 5.411 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.224 1.125 5.886 1.00 10.00 C ATOM 892 CD2 LEU A 56 -2.972 3.107 5.124 1.00 10.00 C ATOM 0 H LEU A 56 -1.746 3.569 7.169 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.750 1.129 8.273 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -0.806 1.724 6.010 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.558 0.170 6.313 1.00 10.00 H new ATOM 0 HG LEU A 56 -2.581 1.094 4.493 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -4.986 1.413 5.161 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.209 0.040 5.984 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -4.454 1.573 6.852 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -3.799 3.284 4.436 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -3.153 3.644 6.055 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -2.044 3.462 4.675 1.00 10.00 H new ATOM 904 N ASN A 57 -0.713 -0.177 9.140 1.00 10.00 N ATOM 905 CA ASN A 57 0.287 -0.786 10.028 1.00 10.00 C ATOM 906 C ASN A 57 0.766 -2.164 9.542 1.00 10.00 C ATOM 907 O ASN A 57 -0.039 -3.075 9.343 1.00 10.00 O ATOM 908 CB ASN A 57 -0.334 -0.907 11.425 1.00 10.00 C ATOM 909 CG ASN A 57 0.662 -1.419 12.453 1.00 10.00 C ATOM 910 OD1 ASN A 57 1.788 -0.954 12.551 1.00 10.00 O ATOM 911 ND2 ASN A 57 0.302 -2.414 13.226 1.00 10.00 N ATOM 0 H ASN A 57 -1.478 -0.809 8.904 1.00 10.00 H new ATOM 0 HA ASN A 57 1.170 -0.147 10.039 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.710 0.067 11.739 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.190 -1.581 11.383 1.00 10.00 H new ATOM 0 HD21 ASN A 57 0.960 -2.796 13.905 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -0.636 -2.806 13.149 1.00 10.00 H new ATOM 918 N ASP A 58 2.085 -2.337 9.421 1.00 10.00 N ATOM 919 CA ASP A 58 2.753 -3.555 8.931 1.00 10.00 C ATOM 920 C ASP A 58 2.393 -4.848 9.693 1.00 10.00 C ATOM 921 O ASP A 58 2.490 -5.936 9.128 1.00 10.00 O ATOM 922 CB ASP A 58 4.275 -3.346 8.970 1.00 10.00 C ATOM 923 CG ASP A 58 4.746 -2.256 7.998 1.00 10.00 C ATOM 924 OD1 ASP A 58 4.738 -1.059 8.368 1.00 10.00 O ATOM 925 OD2 ASP A 58 5.156 -2.583 6.861 1.00 10.00 O ATOM 0 H ASP A 58 2.748 -1.604 9.671 1.00 10.00 H new ATOM 0 HA ASP A 58 2.390 -3.704 7.914 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.575 -3.079 9.983 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.773 -4.284 8.727 1.00 10.00 H new ATOM 930 N ASP A 59 1.945 -4.745 10.948 1.00 10.00 N ATOM 931 CA ASP A 59 1.617 -5.880 11.827 1.00 10.00 C ATOM 932 C ASP A 59 0.094 -6.128 11.967 1.00 10.00 C ATOM 933 O ASP A 59 -0.338 -6.932 12.796 1.00 10.00 O ATOM 934 CB ASP A 59 2.308 -5.644 13.183 1.00 10.00 C ATOM 935 CG ASP A 59 2.333 -6.892 14.086 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.809 -7.963 13.635 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.935 -6.793 15.273 1.00 10.00 O ATOM 0 H ASP A 59 1.795 -3.842 11.398 1.00 10.00 H new ATOM 0 HA ASP A 59 1.992 -6.799 11.377 1.00 10.00 H new ATOM 0 HB2 ASP A 59 3.331 -5.312 13.007 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.796 -4.837 13.707 1.00 10.00 H new ATOM 942 N THR A 60 -0.732 -5.462 11.148 1.00 10.00 N ATOM 943 CA THR A 60 -2.206 -5.505 11.210 1.00 10.00 C ATOM 944 C THR A 60 -2.797 -5.954 9.871 1.00 10.00 C ATOM 945 O THR A 60 -2.363 -5.507 8.807 1.00 10.00 O ATOM 946 CB THR A 60 -2.754 -4.122 11.600 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.238 -3.731 12.858 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.275 -4.072 11.720 1.00 10.00 C ATOM 0 H THR A 60 -0.386 -4.860 10.401 1.00 10.00 H new ATOM 0 HA THR A 60 -2.499 -6.231 11.968 1.00 10.00 H new ATOM 0 HB THR A 60 -2.444 -3.456 10.795 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.591 -2.849 13.097 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.585 -3.065 11.998 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.724 -4.339 10.764 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.603 -4.776 12.484 1.00 10.00 H new ATOM 956 N ALA A 61 -3.779 -6.861 9.919 1.00 10.00 N ATOM 957 CA ALA A 61 -4.457 -7.419 8.747 1.00 10.00 C ATOM 958 C ALA A 61 -5.241 -6.358 7.949 1.00 10.00 C ATOM 959 O ALA A 61 -5.932 -5.520 8.531 1.00 10.00 O ATOM 960 CB ALA A 61 -5.371 -8.555 9.217 1.00 10.00 C ATOM 0 H ALA A 61 -4.133 -7.236 10.799 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.705 -7.802 8.057 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.887 -8.986 8.359 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.773 -9.325 9.705 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -6.104 -8.164 9.922 1.00 10.00 H new ATOM 966 N LEU A 62 -5.185 -6.420 6.614 1.00 10.00 N ATOM 967 CA LEU A 62 -5.794 -5.451 5.698 1.00 10.00 C ATOM 968 C LEU A 62 -7.265 -5.112 5.985 1.00 10.00 C ATOM 969 O LEU A 62 -7.626 -3.934 6.032 1.00 10.00 O ATOM 970 CB LEU A 62 -5.637 -6.019 4.276 1.00 10.00 C ATOM 971 CG LEU A 62 -4.493 -5.425 3.452 1.00 10.00 C ATOM 972 CD1 LEU A 62 -4.810 -3.982 3.055 1.00 10.00 C ATOM 973 CD2 LEU A 62 -3.128 -5.447 4.132 1.00 10.00 C ATOM 0 H LEU A 62 -4.698 -7.172 6.126 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.277 -4.500 5.830 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.488 -7.096 4.348 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.570 -5.862 3.736 1.00 10.00 H new ATOM 0 HG LEU A 62 -4.421 -6.075 2.580 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -3.985 -3.576 2.470 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -5.723 -3.961 2.459 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -4.949 -3.380 3.953 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.384 -5.005 3.469 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.174 -4.875 5.059 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -2.849 -6.477 4.355 1.00 10.00 H new ATOM 985 N LYS A 63 -8.118 -6.121 6.201 1.00 10.00 N ATOM 986 CA LYS A 63 -9.559 -5.929 6.452 1.00 10.00 C ATOM 987 C LYS A 63 -9.915 -5.152 7.730 1.00 10.00 C ATOM 988 O LYS A 63 -11.032 -4.651 7.828 1.00 10.00 O ATOM 989 CB LYS A 63 -10.315 -7.265 6.321 1.00 10.00 C ATOM 990 CG LYS A 63 -10.301 -8.230 7.521 1.00 10.00 C ATOM 991 CD LYS A 63 -8.931 -8.469 8.177 1.00 10.00 C ATOM 992 CE LYS A 63 -8.945 -9.653 9.159 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.933 -9.483 10.257 1.00 10.00 N ATOM 0 H LYS A 63 -7.830 -7.100 6.207 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.906 -5.258 5.666 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.355 -7.037 6.089 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.906 -7.796 5.462 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.983 -7.845 8.279 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.698 -9.191 7.194 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -8.188 -8.654 7.401 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.623 -7.567 8.705 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -9.171 -10.569 8.613 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -7.950 -9.775 9.588 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.783 -10.220 10.976 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -9.812 -8.546 10.691 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -10.896 -9.565 9.873 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.979 -4.961 8.667 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.163 -4.058 9.819 1.00 10.00 C ATOM 1009 C GLU A 64 -9.257 -2.581 9.390 1.00 10.00 C ATOM 1010 O GLU A 64 -9.878 -1.768 10.078 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.009 -4.210 10.826 1.00 10.00 C ATOM 1012 CG GLU A 64 -7.834 -5.625 11.397 1.00 10.00 C ATOM 1013 CD GLU A 64 -9.094 -6.129 12.121 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -9.453 -5.582 13.192 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -9.725 -7.092 11.624 1.00 10.00 O ATOM 0 H GLU A 64 -8.071 -5.426 8.652 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.104 -4.345 10.288 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.080 -3.912 10.340 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.173 -3.518 11.652 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -7.585 -6.311 10.588 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -6.993 -5.632 12.091 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.684 -2.245 8.228 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.733 -0.911 7.610 1.00 10.00 C ATOM 1024 C TYR A 65 -9.871 -0.755 6.583 1.00 10.00 C ATOM 1025 O TYR A 65 -10.067 0.337 6.045 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.362 -0.606 6.982 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.249 -0.549 8.012 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -6.213 0.525 8.923 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.278 -1.569 8.090 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -5.233 0.567 9.928 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.286 -1.526 9.083 1.00 10.00 C ATOM 1032 CZ TYR A 65 -4.280 -0.468 10.019 1.00 10.00 C ATOM 1033 OH TYR A 65 -3.361 -0.436 11.013 1.00 10.00 O ATOM 0 H TYR A 65 -8.155 -2.916 7.672 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.955 -0.185 8.392 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.128 -1.370 6.241 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.412 0.346 6.453 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.942 1.319 8.848 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.297 -2.386 7.384 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -5.209 1.389 10.628 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.532 -2.298 9.131 1.00 10.00 H new ATOM 0 HH TYR A 65 -3.344 -1.302 11.471 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.634 -1.832 6.330 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.761 -1.929 5.380 1.00 10.00 C ATOM 1045 C LYS A 66 -11.474 -1.270 4.018 1.00 10.00 C ATOM 1046 O LYS A 66 -12.321 -0.562 3.467 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.058 -1.424 6.050 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.431 -2.234 7.306 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.801 -1.852 7.885 1.00 10.00 C ATOM 1050 CE LYS A 66 -14.832 -0.408 8.404 1.00 10.00 C ATOM 1051 NZ LYS A 66 -16.148 -0.075 9.010 1.00 10.00 N ATOM 0 H LYS A 66 -10.472 -2.716 6.813 1.00 10.00 H new ATOM 0 HA LYS A 66 -11.902 -2.981 5.133 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -12.938 -0.375 6.321 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -13.877 -1.476 5.333 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.431 -3.296 7.059 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.666 -2.084 8.068 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -15.565 -1.976 7.117 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.052 -2.533 8.698 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -14.044 -0.269 9.144 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.624 0.279 7.584 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.135 0.908 9.350 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.896 -0.184 8.296 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -16.335 -0.715 9.808 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.258 -1.469 3.493 1.00 10.00 N ATOM 1066 CA ILE A 67 -9.834 -0.895 2.207 1.00 10.00 C ATOM 1067 C ILE A 67 -10.712 -1.454 1.079 1.00 10.00 C ATOM 1068 O ILE A 67 -10.976 -2.657 1.016 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.328 -1.094 1.934 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.502 -0.640 3.159 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -7.931 -0.315 0.662 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.003 -0.506 2.891 1.00 10.00 C ATOM 0 H ILE A 67 -9.539 -2.033 3.947 1.00 10.00 H new ATOM 0 HA ILE A 67 -9.975 0.185 2.253 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.118 -2.151 1.768 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -7.885 0.320 3.505 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -7.652 -1.354 3.969 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -6.868 -0.454 0.467 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -8.507 -0.686 -0.186 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.138 0.746 0.805 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.498 -0.184 3.802 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -5.602 -1.469 2.575 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -5.838 0.231 2.105 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.178 -0.569 0.202 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.219 -0.859 -0.788 1.00 10.00 C ATOM 1086 C ASP A 68 -11.662 -0.939 -2.222 1.00 10.00 C ATOM 1087 O ASP A 68 -10.788 -0.168 -2.623 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.317 0.201 -0.649 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.387 0.060 -1.732 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.201 0.623 -2.831 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.406 -0.635 -1.515 1.00 10.00 O ATOM 0 H ASP A 68 -10.837 0.391 0.156 1.00 10.00 H new ATOM 0 HA ASP A 68 -12.638 -1.846 -0.594 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -13.782 0.116 0.333 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -12.872 1.194 -0.706 1.00 10.00 H new ATOM 1096 N GLU A 69 -12.197 -1.881 -3.003 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.701 -2.285 -4.327 1.00 10.00 C ATOM 1098 C GLU A 69 -11.903 -1.237 -5.449 1.00 10.00 C ATOM 1099 O GLU A 69 -11.418 -1.422 -6.569 1.00 10.00 O ATOM 1100 CB GLU A 69 -12.341 -3.650 -4.648 1.00 10.00 C ATOM 1101 CG GLU A 69 -11.651 -4.416 -5.780 1.00 10.00 C ATOM 1102 CD GLU A 69 -11.922 -5.929 -5.686 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.022 -6.381 -6.092 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -11.030 -6.675 -5.214 1.00 10.00 O ATOM 0 H GLU A 69 -13.024 -2.407 -2.720 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.615 -2.366 -4.287 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -12.329 -4.265 -3.748 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -13.387 -3.495 -4.914 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -12.003 -4.041 -6.741 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -10.577 -4.235 -5.741 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.573 -0.114 -5.151 1.00 10.00 N ATOM 1112 CA LYS A 70 -12.730 1.056 -6.036 1.00 10.00 C ATOM 1113 C LYS A 70 -12.453 2.403 -5.334 1.00 10.00 C ATOM 1114 O LYS A 70 -12.728 3.464 -5.900 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.061 1.010 -6.818 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.353 0.988 -5.984 1.00 10.00 C ATOM 1117 CD LYS A 70 -15.763 -0.435 -5.568 1.00 10.00 C ATOM 1118 CE LYS A 70 -17.133 -0.473 -4.876 1.00 10.00 C ATOM 1119 NZ LYS A 70 -17.121 0.232 -3.569 1.00 10.00 N ATOM 0 H LYS A 70 -13.039 0.012 -4.253 1.00 10.00 H new ATOM 0 HA LYS A 70 -11.942 0.988 -6.786 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -14.097 1.876 -7.479 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -14.051 0.125 -7.454 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -15.216 1.598 -5.091 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -16.160 1.442 -6.559 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -15.787 -1.075 -6.450 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -15.009 -0.845 -4.897 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -17.879 -0.017 -5.526 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -17.433 -1.510 -4.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -18.090 0.284 -3.194 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -16.518 -0.288 -2.900 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -16.747 1.194 -3.697 1.00 10.00 H new ATOM 1133 N ASN A 71 -11.836 2.366 -4.149 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.143 3.504 -3.526 1.00 10.00 C ATOM 1135 C ASN A 71 -9.619 3.382 -3.756 1.00 10.00 C ATOM 1136 O ASN A 71 -9.143 2.407 -4.348 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.476 3.548 -2.018 1.00 10.00 C ATOM 1138 CG ASN A 71 -12.906 3.952 -1.684 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -13.683 4.420 -2.506 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.280 3.832 -0.430 1.00 10.00 N ATOM 0 H ASN A 71 -11.802 1.521 -3.579 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.481 4.435 -3.982 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.284 2.564 -1.590 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -10.795 4.246 -1.531 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.214 4.128 -0.146 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.637 3.443 0.259 1.00 10.00 H new ATOM 1147 N PHE A 72 -8.840 4.357 -3.273 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.375 4.348 -3.357 1.00 10.00 C ATOM 1149 C PHE A 72 -6.682 4.788 -2.059 1.00 10.00 C ATOM 1150 O PHE A 72 -7.271 5.452 -1.202 1.00 10.00 O ATOM 1151 CB PHE A 72 -6.898 5.164 -4.574 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.321 6.622 -4.627 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.748 7.571 -3.757 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.251 7.042 -5.598 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.126 8.923 -3.839 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.609 8.397 -5.695 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.055 9.338 -4.810 1.00 10.00 C ATOM 0 H PHE A 72 -9.214 5.184 -2.807 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.075 3.310 -3.499 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -5.809 5.124 -4.604 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.260 4.672 -5.477 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.017 7.259 -3.026 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.690 6.320 -6.270 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.702 9.644 -3.155 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.311 8.716 -6.451 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.342 10.377 -4.875 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.406 4.419 -1.939 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.491 4.723 -0.826 1.00 10.00 C ATOM 1169 C VAL A 73 -3.212 5.355 -1.395 1.00 10.00 C ATOM 1170 O VAL A 73 -2.827 5.076 -2.530 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.237 3.483 0.084 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -4.854 2.169 -0.416 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -2.767 3.179 0.423 1.00 10.00 C ATOM 0 H VAL A 73 -4.949 3.863 -2.662 1.00 10.00 H new ATOM 0 HA VAL A 73 -4.952 5.450 -0.158 1.00 10.00 H new ATOM 0 HB VAL A 73 -4.748 3.821 0.986 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -4.621 1.368 0.285 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -5.935 2.281 -0.493 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -4.444 1.924 -1.396 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -2.716 2.296 1.060 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -2.212 2.995 -0.497 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -2.331 4.030 0.946 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.554 6.225 -0.630 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.336 6.943 -1.042 1.00 10.00 C ATOM 1185 C VAL A 74 -0.098 6.264 -0.448 1.00 10.00 C ATOM 1186 O VAL A 74 -0.071 5.990 0.752 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.395 8.423 -0.605 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.174 9.210 -1.103 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -2.647 9.127 -1.150 1.00 10.00 C ATOM 0 H VAL A 74 -2.855 6.460 0.316 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.271 6.911 -2.130 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.416 8.409 0.485 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.251 10.247 -0.776 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.735 8.768 -0.695 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.138 9.175 -2.192 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -2.652 10.166 -0.821 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -2.639 9.091 -2.239 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.539 8.624 -0.777 1.00 10.00 H new ATOM 1199 N VAL A 75 0.937 6.044 -1.264 1.00 10.00 N ATOM 1200 CA VAL A 75 2.295 5.639 -0.851 1.00 10.00 C ATOM 1201 C VAL A 75 3.264 6.824 -0.944 1.00 10.00 C ATOM 1202 O VAL A 75 3.301 7.544 -1.945 1.00 10.00 O ATOM 1203 CB VAL A 75 2.845 4.441 -1.662 1.00 10.00 C ATOM 1204 CG1 VAL A 75 2.219 3.126 -1.193 1.00 10.00 C ATOM 1205 CG2 VAL A 75 2.662 4.536 -3.182 1.00 10.00 C ATOM 0 H VAL A 75 0.854 6.146 -2.275 1.00 10.00 H new ATOM 0 HA VAL A 75 2.214 5.312 0.186 1.00 10.00 H new ATOM 0 HB VAL A 75 3.917 4.469 -1.467 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.623 2.301 -1.780 1.00 10.00 H new ATOM 0 HG12 VAL A 75 2.449 2.969 -0.139 1.00 10.00 H new ATOM 0 HG13 VAL A 75 1.138 3.170 -1.326 1.00 10.00 H new ATOM 0 HG21 VAL A 75 3.081 3.648 -3.655 1.00 10.00 H new ATOM 0 HG22 VAL A 75 1.600 4.605 -3.417 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.175 5.422 -3.556 1.00 10.00 H new ATOM 1215 N MET A 76 4.056 7.030 0.110 1.00 10.00 N ATOM 1216 CA MET A 76 5.032 8.127 0.250 1.00 10.00 C ATOM 1217 C MET A 76 6.323 7.633 0.923 1.00 10.00 C ATOM 1218 O MET A 76 6.321 6.560 1.519 1.00 10.00 O ATOM 1219 CB MET A 76 4.387 9.303 1.007 1.00 10.00 C ATOM 1220 CG MET A 76 3.918 8.931 2.420 1.00 10.00 C ATOM 1221 SD MET A 76 3.041 10.260 3.285 1.00 10.00 S ATOM 1222 CE MET A 76 2.442 9.330 4.722 1.00 10.00 C ATOM 0 H MET A 76 4.039 6.416 0.925 1.00 10.00 H new ATOM 0 HA MET A 76 5.317 8.484 -0.739 1.00 10.00 H new ATOM 0 HB2 MET A 76 5.105 10.121 1.073 1.00 10.00 H new ATOM 0 HB3 MET A 76 3.536 9.672 0.434 1.00 10.00 H new ATOM 0 HG2 MET A 76 3.265 8.061 2.357 1.00 10.00 H new ATOM 0 HG3 MET A 76 4.784 8.637 3.013 1.00 10.00 H new ATOM 0 HE1 MET A 76 1.446 9.681 4.993 1.00 10.00 H new ATOM 0 HE2 MET A 76 2.399 8.269 4.476 1.00 10.00 H new ATOM 0 HE3 MET A 76 3.121 9.481 5.562 1.00 10.00 H new ATOM 1232 N VAL A 77 7.431 8.376 0.842 1.00 10.00 N ATOM 1233 CA VAL A 77 8.729 7.987 1.415 1.00 10.00 C ATOM 1234 C VAL A 77 9.329 9.072 2.311 1.00 10.00 C ATOM 1235 O VAL A 77 9.023 10.259 2.169 1.00 10.00 O ATOM 1236 CB VAL A 77 9.736 7.616 0.311 1.00 10.00 C ATOM 1237 CG1 VAL A 77 9.289 6.383 -0.479 1.00 10.00 C ATOM 1238 CG2 VAL A 77 10.034 8.763 -0.662 1.00 10.00 C ATOM 0 H VAL A 77 7.455 9.280 0.369 1.00 10.00 H new ATOM 0 HA VAL A 77 8.533 7.113 2.036 1.00 10.00 H new ATOM 0 HB VAL A 77 10.660 7.390 0.844 1.00 10.00 H new ATOM 0 HG11 VAL A 77 10.028 6.156 -1.248 1.00 10.00 H new ATOM 0 HG12 VAL A 77 9.195 5.533 0.196 1.00 10.00 H new ATOM 0 HG13 VAL A 77 8.326 6.581 -0.949 1.00 10.00 H new ATOM 0 HG21 VAL A 77 10.751 8.427 -1.411 1.00 10.00 H new ATOM 0 HG22 VAL A 77 9.112 9.071 -1.155 1.00 10.00 H new ATOM 0 HG23 VAL A 77 10.451 9.607 -0.113 1.00 10.00 H new ATOM 1248 N THR A 78 10.211 8.662 3.223 1.00 10.00 N ATOM 1249 CA THR A 78 11.048 9.547 4.047 1.00 10.00 C ATOM 1250 C THR A 78 12.471 8.994 4.227 1.00 10.00 C ATOM 1251 O THR A 78 12.695 7.784 4.112 1.00 10.00 O ATOM 1252 CB THR A 78 10.363 9.858 5.388 1.00 10.00 C ATOM 1253 OG1 THR A 78 11.106 10.836 6.083 1.00 10.00 O ATOM 1254 CG2 THR A 78 10.194 8.638 6.295 1.00 10.00 C ATOM 0 H THR A 78 10.371 7.674 3.418 1.00 10.00 H new ATOM 0 HA THR A 78 11.159 10.491 3.514 1.00 10.00 H new ATOM 0 HB THR A 78 9.363 10.214 5.140 1.00 10.00 H new ATOM 0 HG1 THR A 78 10.667 11.035 6.937 1.00 10.00 H new ATOM 0 HG21 THR A 78 9.703 8.938 7.221 1.00 10.00 H new ATOM 0 HG22 THR A 78 9.585 7.889 5.788 1.00 10.00 H new ATOM 0 HG23 THR A 78 11.173 8.216 6.523 1.00 10.00 H new ATOM 1262 N LYS A 79 13.442 9.885 4.474 1.00 10.00 N ATOM 1263 CA LYS A 79 14.885 9.595 4.567 1.00 10.00 C ATOM 1264 C LYS A 79 15.595 10.196 5.803 1.00 10.00 C ATOM 1265 O LYS A 79 16.330 9.437 6.445 1.00 10.00 O ATOM 1266 CB LYS A 79 15.542 10.017 3.241 1.00 10.00 C ATOM 1267 CG LYS A 79 17.037 9.672 3.170 1.00 10.00 C ATOM 1268 CD LYS A 79 17.590 10.038 1.787 1.00 10.00 C ATOM 1269 CE LYS A 79 19.108 9.828 1.676 1.00 10.00 C ATOM 1270 NZ LYS A 79 19.491 8.391 1.723 1.00 10.00 N ATOM 0 H LYS A 79 13.236 10.873 4.621 1.00 10.00 H new ATOM 0 HA LYS A 79 15.000 8.523 4.724 1.00 10.00 H new ATOM 0 HB2 LYS A 79 15.024 9.530 2.415 1.00 10.00 H new ATOM 0 HB3 LYS A 79 15.417 11.091 3.107 1.00 10.00 H new ATOM 0 HG2 LYS A 79 17.581 10.213 3.944 1.00 10.00 H new ATOM 0 HG3 LYS A 79 17.184 8.609 3.361 1.00 10.00 H new ATOM 0 HD2 LYS A 79 17.089 9.436 1.030 1.00 10.00 H new ATOM 0 HD3 LYS A 79 17.356 11.081 1.572 1.00 10.00 H new ATOM 0 HE2 LYS A 79 19.464 10.265 0.743 1.00 10.00 H new ATOM 0 HE3 LYS A 79 19.605 10.360 2.487 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 20.524 8.304 1.644 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 19.176 7.977 2.624 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 19.040 7.886 0.934 1.00 10.00 H new ATOM 1284 N PRO A 80 15.424 11.484 6.184 1.00 10.00 N ATOM 1285 CA PRO A 80 16.110 12.046 7.356 1.00 10.00 C ATOM 1286 C PRO A 80 15.504 11.564 8.689 1.00 10.00 C ATOM 1287 O PRO A 80 14.364 11.090 8.741 1.00 10.00 O ATOM 1288 CB PRO A 80 16.002 13.567 7.198 1.00 10.00 C ATOM 1289 CG PRO A 80 14.692 13.748 6.438 1.00 10.00 C ATOM 1290 CD PRO A 80 14.658 12.532 5.514 1.00 10.00 C ATOM 0 HA PRO A 80 17.148 11.715 7.396 1.00 10.00 H new ATOM 0 HB2 PRO A 80 15.980 14.071 8.164 1.00 10.00 H new ATOM 0 HB3 PRO A 80 16.848 13.975 6.645 1.00 10.00 H new ATOM 0 HG2 PRO A 80 13.835 13.767 7.111 1.00 10.00 H new ATOM 0 HG3 PRO A 80 14.677 14.682 5.876 1.00 10.00 H new ATOM 0 HD2 PRO A 80 13.633 12.209 5.334 1.00 10.00 H new ATOM 0 HD3 PRO A 80 15.092 12.770 4.543 1.00 10.00 H new ATOM 1298 N LYS A 81 16.265 11.720 9.782 1.00 10.00 N ATOM 1299 CA LYS A 81 15.869 11.361 11.158 1.00 10.00 C ATOM 1300 C LYS A 81 16.555 12.265 12.190 1.00 10.00 C ATOM 1301 O LYS A 81 17.738 12.584 12.052 1.00 10.00 O ATOM 1302 CB LYS A 81 16.220 9.876 11.397 1.00 10.00 C ATOM 1303 CG LYS A 81 15.686 9.332 12.732 1.00 10.00 C ATOM 1304 CD LYS A 81 16.054 7.851 12.910 1.00 10.00 C ATOM 1305 CE LYS A 81 15.641 7.304 14.284 1.00 10.00 C ATOM 1306 NZ LYS A 81 14.165 7.197 14.437 1.00 10.00 N ATOM 0 H LYS A 81 17.205 12.112 9.734 1.00 10.00 H new ATOM 0 HA LYS A 81 14.796 11.508 11.277 1.00 10.00 H new ATOM 0 HB2 LYS A 81 15.814 9.278 10.581 1.00 10.00 H new ATOM 0 HB3 LYS A 81 17.303 9.757 11.371 1.00 10.00 H new ATOM 0 HG2 LYS A 81 16.097 9.914 13.557 1.00 10.00 H new ATOM 0 HG3 LYS A 81 14.603 9.448 12.769 1.00 10.00 H new ATOM 0 HD2 LYS A 81 15.572 7.264 12.129 1.00 10.00 H new ATOM 0 HD3 LYS A 81 17.130 7.729 12.782 1.00 10.00 H new ATOM 0 HE2 LYS A 81 16.090 6.321 14.430 1.00 10.00 H new ATOM 0 HE3 LYS A 81 16.037 7.954 15.064 1.00 10.00 H new ATOM 0 HZ1 LYS A 81 13.940 6.823 15.381 1.00 10.00 H new ATOM 0 HZ2 LYS A 81 13.735 8.138 14.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 81 13.786 6.555 13.711 1.00 10.00 H new ATOM 1320 N ALA A 82 15.824 12.645 13.239 1.00 10.00 N ATOM 1321 CA ALA A 82 16.365 13.334 14.411 1.00 10.00 C ATOM 1322 C ALA A 82 17.232 12.379 15.261 1.00 10.00 C ATOM 1323 O ALA A 82 16.710 11.495 15.947 1.00 10.00 O ATOM 1324 CB ALA A 82 15.197 13.928 15.212 1.00 10.00 C ATOM 0 H ALA A 82 14.819 12.479 13.299 1.00 10.00 H new ATOM 0 HA ALA A 82 17.022 14.145 14.098 1.00 10.00 H new ATOM 0 HB1 ALA A 82 15.584 14.446 16.090 1.00 10.00 H new ATOM 0 HB2 ALA A 82 14.649 14.633 14.587 1.00 10.00 H new ATOM 0 HB3 ALA A 82 14.528 13.127 15.528 1.00 10.00 H new ATOM 1330 N VAL A 83 18.557 12.552 15.207 1.00 10.00 N ATOM 1331 CA VAL A 83 19.558 11.743 15.934 1.00 10.00 C ATOM 1332 C VAL A 83 20.634 12.657 16.536 1.00 10.00 C ATOM 1333 O VAL A 83 21.143 13.555 15.861 1.00 10.00 O ATOM 1334 CB VAL A 83 20.210 10.688 15.006 1.00 10.00 C ATOM 1335 CG1 VAL A 83 21.184 9.780 15.771 1.00 10.00 C ATOM 1336 CG2 VAL A 83 19.174 9.771 14.339 1.00 10.00 C ATOM 0 H VAL A 83 18.983 13.283 14.638 1.00 10.00 H new ATOM 0 HA VAL A 83 19.047 11.212 16.737 1.00 10.00 H new ATOM 0 HB VAL A 83 20.737 11.268 14.248 1.00 10.00 H new ATOM 0 HG11 VAL A 83 21.620 9.054 15.085 1.00 10.00 H new ATOM 0 HG12 VAL A 83 21.977 10.385 16.211 1.00 10.00 H new ATOM 0 HG13 VAL A 83 20.648 9.255 16.561 1.00 10.00 H new ATOM 0 HG21 VAL A 83 19.684 9.051 13.700 1.00 10.00 H new ATOM 0 HG22 VAL A 83 18.610 9.240 15.106 1.00 10.00 H new ATOM 0 HG23 VAL A 83 18.491 10.371 13.737 1.00 10.00 H new ATOM 1346 N SER A 84 20.984 12.418 17.805 1.00 10.00 N ATOM 1347 CA SER A 84 22.018 13.145 18.567 1.00 10.00 C ATOM 1348 C SER A 84 22.994 12.183 19.263 1.00 10.00 C ATOM 1349 O SER A 84 22.611 11.074 19.650 1.00 10.00 O ATOM 1350 CB SER A 84 21.372 14.058 19.620 1.00 10.00 C ATOM 1351 OG SER A 84 20.566 15.059 19.016 1.00 10.00 O ATOM 0 H SER A 84 20.539 11.684 18.356 1.00 10.00 H new ATOM 0 HA SER A 84 22.577 13.748 17.851 1.00 10.00 H new ATOM 0 HB2 SER A 84 20.764 13.460 20.298 1.00 10.00 H new ATOM 0 HB3 SER A 84 22.150 14.529 20.221 1.00 10.00 H new ATOM 0 HG SER A 84 20.168 15.622 19.712 1.00 10.00 H new ATOM 1357 N THR A 85 24.247 12.623 19.448 1.00 10.00 N ATOM 1358 CA THR A 85 25.347 11.878 20.106 1.00 10.00 C ATOM 1359 C THR A 85 26.145 12.799 21.033 1.00 10.00 C ATOM 1360 O THR A 85 26.246 12.485 22.240 1.00 10.00 O ATOM 1361 CB THR A 85 26.293 11.237 19.077 1.00 10.00 C ATOM 1362 OG1 THR A 85 25.563 10.422 18.183 1.00 10.00 O ATOM 1363 CG2 THR A 85 27.349 10.341 19.730 1.00 10.00 C ATOM 1364 OXT THR A 85 26.639 13.850 20.563 1.00 10.00 O ATOM 0 H THR A 85 24.541 13.547 19.132 1.00 10.00 H new ATOM 0 HA THR A 85 24.890 11.082 20.694 1.00 10.00 H new ATOM 0 HB THR A 85 26.784 12.064 18.563 1.00 10.00 H new ATOM 0 HG1 THR A 85 26.176 10.021 17.532 1.00 10.00 H new ATOM 0 HG21 THR A 85 27.990 9.914 18.959 1.00 10.00 H new ATOM 0 HG22 THR A 85 27.953 10.933 20.418 1.00 10.00 H new ATOM 0 HG23 THR A 85 26.856 9.538 20.278 1.00 10.00 H new TER 1372 THR A 85