USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 814 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 61 THR OG1 : rot 180:sc= 0.0269 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.08 K(o=2.3,f=-3.4) USER MOD Set 2.2: A 90 THR OG1 : rot -78:sc= 1.18 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -126:sc= 0.563 (180deg=0) USER MOD Set 3.2: A 36 THR OG1 : rot -86:sc= 1.61 USER MOD Single : A 6 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 8 GLN : amide:sc=-0.00754 X(o=-0.0075,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc=-0.00973 (180deg=-0.165) USER MOD Single : A 10 LYS NZ :NH3+ -120:sc= 1.29 (180deg=-0.629) USER MOD Single : A 11 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.6!) USER MOD Single : A 13 THR OG1 : rot -116:sc= -0.159 USER MOD Single : A 14 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.1!) USER MOD Single : A 25 SER OG : rot 125:sc= 1.31 USER MOD Single : A 26 THR OG1 : rot -94:sc= 1.26 USER MOD Single : A 27 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.016) USER MOD Single : A 30 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.1) USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= -1.26 (180deg=-3.44!) USER MOD Single : A 35 ASN : amide:sc= 0.742 K(o=0.74,f=-0.95) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.00625 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 47:sc= 0.157 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0325) USER MOD Single : A 60 THR OG1 : rot 108:sc= -0.332 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -159:sc= 1.44 USER MOD Single : A 70 ASN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.219 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= 1.31 (180deg=1.29) USER MOD Single : A 78 TYR OH : rot 23:sc= -0.453! 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 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -100:sc= 0.323 USER MOD Single : A 85 ASN : amide:sc= -0.406 K(o=-0.41,f=-7.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.992 K(o=-0.99,f=-0.15) USER MOD Single : A 94 GLN : amide:sc= -2.09 K(o=-2.1,f=-3.3) USER MOD Single : A 98 HIS : no HD1:sc= -2.3! K(o=-2.3!,f=-0.88) USER MOD Single : A 104 SER OG : rot 2:sc= 0.492 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.678 10.811 0.104 1.00 0.48 N ATOM 38 CA ASP A 3 -7.652 10.321 -0.856 1.00 0.44 C ATOM 39 C ASP A 3 -7.097 9.160 -1.667 1.00 0.32 C ATOM 40 O ASP A 3 -5.954 8.739 -1.477 1.00 0.32 O ATOM 41 CB ASP A 3 -8.079 11.444 -1.805 1.00 0.55 C ATOM 42 CG ASP A 3 -7.025 11.759 -2.843 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.989 12.348 -2.473 1.00 1.67 O ATOM 44 OD2 ASP A 3 -7.225 11.426 -4.028 1.00 1.97 O ATOM 0 HA ASP A 3 -8.517 9.969 -0.293 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -9.004 11.159 -2.306 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.294 12.342 -1.226 1.00 0.55 H new ATOM 49 N TRP A 4 -7.914 8.690 -2.598 1.00 0.32 N ATOM 50 CA TRP A 4 -7.612 7.519 -3.406 1.00 0.27 C ATOM 51 C TRP A 4 -6.386 7.733 -4.294 1.00 0.24 C ATOM 52 O TRP A 4 -5.563 6.833 -4.451 1.00 0.25 O ATOM 53 CB TRP A 4 -8.838 7.175 -4.255 1.00 0.29 C ATOM 54 CG TRP A 4 -8.640 6.004 -5.162 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.868 5.964 -6.505 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.169 4.705 -4.793 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.578 4.716 -6.992 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.141 3.927 -5.960 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.766 4.124 -3.588 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.729 2.600 -5.958 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.359 2.804 -3.586 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.342 2.054 -4.765 1.00 0.22 C ATOM 0 H TRP A 4 -8.815 9.116 -2.816 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.374 6.690 -2.739 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.680 6.971 -3.593 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -9.108 8.044 -4.855 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.225 6.793 -7.098 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.672 4.422 -7.964 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.773 4.698 -2.673 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.715 2.019 -6.868 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.049 2.345 -2.659 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.017 1.024 -4.734 1.00 0.22 H new ATOM 73 N LEU A 5 -6.261 8.920 -4.875 1.00 0.28 N ATOM 74 CA LEU A 5 -5.146 9.207 -5.767 1.00 0.32 C ATOM 75 C LEU A 5 -3.831 9.231 -4.999 1.00 0.32 C ATOM 76 O LEU A 5 -2.795 8.798 -5.505 1.00 0.35 O ATOM 77 CB LEU A 5 -5.360 10.537 -6.493 1.00 0.42 C ATOM 78 CG LEU A 5 -6.397 10.519 -7.624 1.00 0.54 C ATOM 79 CD1 LEU A 5 -6.048 9.459 -8.657 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.805 10.297 -7.091 1.00 0.84 C ATOM 0 H LEU A 5 -6.913 9.694 -4.746 1.00 0.28 H new ATOM 0 HA LEU A 5 -5.097 8.411 -6.510 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.662 11.285 -5.760 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.405 10.862 -6.906 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.374 11.497 -8.104 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.796 9.463 -9.450 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -5.068 9.674 -9.082 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -6.030 8.479 -8.181 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -8.511 10.290 -7.921 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.850 9.341 -6.569 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -8.064 11.100 -6.401 1.00 0.84 H new ATOM 92 N THR A 6 -3.883 9.722 -3.772 1.00 0.34 N ATOM 93 CA THR A 6 -2.706 9.771 -2.921 1.00 0.40 C ATOM 94 C THR A 6 -2.362 8.369 -2.410 1.00 0.35 C ATOM 95 O THR A 6 -1.191 7.974 -2.359 1.00 0.37 O ATOM 96 CB THR A 6 -2.942 10.727 -1.735 1.00 0.52 C ATOM 97 OG1 THR A 6 -3.393 11.999 -2.228 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.669 10.918 -0.923 1.00 0.61 C ATOM 0 H THR A 6 -4.730 10.093 -3.342 1.00 0.34 H new ATOM 0 HA THR A 6 -1.867 10.145 -3.509 1.00 0.40 H new ATOM 0 HB THR A 6 -3.700 10.289 -1.086 1.00 0.52 H new ATOM 0 HG1 THR A 6 -4.367 11.982 -2.335 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.865 11.597 -0.093 1.00 0.61 H new ATOM 0 HG22 THR A 6 -1.338 9.955 -0.534 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.891 11.339 -1.560 1.00 0.61 H new ATOM 106 N PHE A 7 -3.403 7.617 -2.064 1.00 0.29 N ATOM 107 CA PHE A 7 -3.257 6.247 -1.591 1.00 0.26 C ATOM 108 C PHE A 7 -2.577 5.386 -2.653 1.00 0.23 C ATOM 109 O PHE A 7 -1.701 4.575 -2.343 1.00 0.24 O ATOM 110 CB PHE A 7 -4.639 5.675 -1.254 1.00 0.24 C ATOM 111 CG PHE A 7 -4.611 4.333 -0.578 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.528 3.165 -1.321 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.670 4.241 0.803 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.505 1.931 -0.698 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.646 3.011 1.431 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.563 1.855 0.679 1.00 0.27 C ATOM 0 H PHE A 7 -4.369 7.941 -2.104 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.635 6.243 -0.696 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -5.163 6.381 -0.610 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.218 5.592 -2.174 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.481 3.220 -2.399 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.736 5.142 1.396 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.442 1.028 -1.288 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.692 2.953 2.508 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.544 0.892 1.168 1.00 0.27 H new ATOM 126 N GLN A 8 -2.985 5.584 -3.903 1.00 0.23 N ATOM 127 CA GLN A 8 -2.447 4.830 -5.026 1.00 0.24 C ATOM 128 C GLN A 8 -0.940 4.978 -5.150 1.00 0.24 C ATOM 129 O GLN A 8 -0.215 3.985 -5.120 1.00 0.25 O ATOM 130 CB GLN A 8 -3.082 5.289 -6.324 1.00 0.27 C ATOM 131 CG GLN A 8 -4.275 4.460 -6.751 1.00 0.27 C ATOM 132 CD GLN A 8 -4.806 4.877 -8.108 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.373 4.370 -9.144 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.753 5.800 -8.108 1.00 0.45 N ATOM 0 H GLN A 8 -3.695 6.269 -4.163 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.679 3.782 -4.836 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.394 6.328 -6.217 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.331 5.261 -7.114 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -3.992 3.408 -6.781 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.067 4.556 -6.008 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -6.082 6.193 -7.226 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -6.154 6.119 -8.990 1.00 0.45 H new ATOM 143 N LYS A 9 -0.486 6.221 -5.292 1.00 0.26 N ATOM 144 CA LYS A 9 0.929 6.526 -5.497 1.00 0.29 C ATOM 145 C LYS A 9 1.812 5.792 -4.494 1.00 0.29 C ATOM 146 O LYS A 9 2.910 5.336 -4.819 1.00 0.33 O ATOM 147 CB LYS A 9 1.155 8.031 -5.340 1.00 0.32 C ATOM 148 CG LYS A 9 0.395 8.889 -6.336 1.00 0.33 C ATOM 149 CD LYS A 9 0.363 10.339 -5.882 1.00 0.67 C ATOM 150 CE LYS A 9 -0.251 11.256 -6.930 1.00 1.20 C ATOM 151 NZ LYS A 9 0.580 11.336 -8.161 1.00 1.88 N ATOM 0 H LYS A 9 -1.087 7.045 -5.268 1.00 0.26 H new ATOM 0 HA LYS A 9 1.198 6.199 -6.501 1.00 0.29 H new ATOM 0 HB2 LYS A 9 0.866 8.326 -4.331 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.220 8.238 -5.440 1.00 0.32 H new ATOM 0 HG2 LYS A 9 0.866 8.820 -7.317 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.623 8.514 -6.444 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -0.207 10.416 -4.956 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.377 10.671 -5.660 1.00 0.67 H new ATOM 0 HE2 LYS A 9 -1.246 10.895 -7.188 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -0.373 12.255 -6.510 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 0.251 12.126 -8.751 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 1.575 11.490 -7.899 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.497 10.447 -8.695 1.00 1.88 H new ATOM 165 N LYS A 10 1.316 5.691 -3.275 1.00 0.28 N ATOM 166 CA LYS A 10 2.099 5.168 -2.163 1.00 0.30 C ATOM 167 C LYS A 10 1.945 3.663 -1.952 1.00 0.26 C ATOM 168 O LYS A 10 2.813 3.043 -1.336 1.00 0.29 O ATOM 169 CB LYS A 10 1.722 5.910 -0.878 1.00 0.38 C ATOM 170 CG LYS A 10 2.301 7.316 -0.778 1.00 0.63 C ATOM 171 CD LYS A 10 1.752 8.049 0.436 1.00 0.73 C ATOM 172 CE LYS A 10 2.489 9.356 0.701 1.00 1.10 C ATOM 173 NZ LYS A 10 3.905 9.126 1.096 1.00 1.34 N ATOM 0 H LYS A 10 0.366 5.966 -3.025 1.00 0.28 H new ATOM 0 HA LYS A 10 3.146 5.336 -2.417 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.636 5.971 -0.812 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.062 5.327 -0.022 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.388 7.261 -0.713 1.00 0.63 H new ATOM 0 HG3 LYS A 10 2.064 7.876 -1.683 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.692 8.255 0.285 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.830 7.406 1.313 1.00 0.73 H new ATOM 0 HE2 LYS A 10 2.458 9.978 -0.194 1.00 1.10 H new ATOM 0 HE3 LYS A 10 1.977 9.907 1.490 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 4.070 9.522 2.043 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 4.100 8.105 1.109 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 4.536 9.590 0.412 1.00 1.34 H new ATOM 187 N HIS A 11 0.859 3.066 -2.425 1.00 0.25 N ATOM 188 CA HIS A 11 0.580 1.676 -2.058 1.00 0.24 C ATOM 189 C HIS A 11 0.252 0.776 -3.245 1.00 0.23 C ATOM 190 O HIS A 11 0.220 -0.439 -3.093 1.00 0.26 O ATOM 191 CB HIS A 11 -0.563 1.606 -1.043 1.00 0.26 C ATOM 192 CG HIS A 11 -0.225 2.197 0.290 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.652 1.608 1.179 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.651 3.337 0.884 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.748 2.360 2.260 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.029 3.415 2.104 1.00 0.37 N ATOM 0 H HIS A 11 0.174 3.501 -3.044 1.00 0.25 H new ATOM 0 HA HIS A 11 1.505 1.300 -1.620 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.431 2.125 -1.451 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.851 0.564 -0.905 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.148 0.730 1.025 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.350 4.051 0.474 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.359 2.148 3.125 1.00 0.34 H new ATOM 205 N ILE A 12 0.015 1.342 -4.411 1.00 0.23 N ATOM 206 CA ILE A 12 -0.371 0.531 -5.560 1.00 0.24 C ATOM 207 C ILE A 12 0.824 0.296 -6.481 1.00 0.23 C ATOM 208 O ILE A 12 1.298 1.218 -7.146 1.00 0.30 O ATOM 209 CB ILE A 12 -1.530 1.184 -6.355 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.748 1.388 -5.451 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.911 0.339 -7.564 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.306 0.106 -4.870 1.00 0.48 C ATOM 0 H ILE A 12 0.080 2.344 -4.592 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.720 -0.428 -5.178 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.187 2.155 -6.712 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.474 2.056 -4.634 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.531 1.887 -6.021 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.727 0.822 -8.103 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.049 0.239 -8.224 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.230 -0.649 -7.232 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.167 0.336 -4.242 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.614 -0.556 -5.679 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.540 -0.385 -4.270 1.00 0.48 H new ATOM 224 N THR A 13 1.319 -0.936 -6.494 1.00 0.20 N ATOM 225 CA THR A 13 2.410 -1.308 -7.379 1.00 0.21 C ATOM 226 C THR A 13 1.976 -2.450 -8.297 1.00 0.22 C ATOM 227 O THR A 13 1.209 -3.327 -7.897 1.00 0.24 O ATOM 228 CB THR A 13 3.694 -1.714 -6.603 1.00 0.21 C ATOM 229 OG1 THR A 13 4.761 -1.974 -7.521 1.00 0.30 O ATOM 230 CG2 THR A 13 3.479 -2.951 -5.743 1.00 0.21 C ATOM 0 H THR A 13 0.980 -1.693 -5.900 1.00 0.20 H new ATOM 0 HA THR A 13 2.654 -0.427 -7.973 1.00 0.21 H new ATOM 0 HB THR A 13 3.946 -0.880 -5.948 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.019 -2.918 -7.464 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.404 -3.196 -5.220 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.691 -2.756 -5.015 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.188 -3.789 -6.377 1.00 0.21 H new ATOM 238 N ASN A 14 2.458 -2.431 -9.532 1.00 0.28 N ATOM 239 CA ASN A 14 2.152 -3.498 -10.479 1.00 0.33 C ATOM 240 C ASN A 14 3.400 -4.342 -10.711 1.00 0.32 C ATOM 241 O ASN A 14 3.414 -5.274 -11.515 1.00 0.36 O ATOM 242 CB ASN A 14 1.622 -2.917 -11.798 1.00 0.46 C ATOM 243 CG ASN A 14 1.034 -3.977 -12.717 1.00 1.36 C ATOM 244 OD1 ASN A 14 -0.130 -4.353 -12.587 1.00 2.20 O ATOM 245 ND2 ASN A 14 1.827 -4.451 -13.664 1.00 2.08 N ATOM 0 H ASN A 14 3.059 -1.694 -9.901 1.00 0.28 H new ATOM 0 HA ASN A 14 1.370 -4.134 -10.065 1.00 0.33 H new ATOM 0 HB2 ASN A 14 0.860 -2.169 -11.580 1.00 0.46 H new ATOM 0 HB3 ASN A 14 2.433 -2.404 -12.315 1.00 0.46 H new ATOM 0 HD21 ASN A 14 1.478 -5.152 -14.317 1.00 2.08 H new ATOM 0 HD22 ASN A 14 2.787 -4.115 -13.741 1.00 2.08 H new ATOM 252 N THR A 15 4.451 -4.014 -9.983 1.00 0.33 N ATOM 253 CA THR A 15 5.660 -4.806 -10.007 1.00 0.36 C ATOM 254 C THR A 15 5.821 -5.517 -8.665 1.00 0.33 C ATOM 255 O THR A 15 5.751 -4.892 -7.601 1.00 0.36 O ATOM 256 CB THR A 15 6.905 -3.946 -10.346 1.00 0.42 C ATOM 257 OG1 THR A 15 8.069 -4.772 -10.464 1.00 0.48 O ATOM 258 CG2 THR A 15 7.156 -2.863 -9.304 1.00 0.43 C ATOM 0 H THR A 15 4.489 -3.202 -9.367 1.00 0.33 H new ATOM 0 HA THR A 15 5.576 -5.551 -10.798 1.00 0.36 H new ATOM 0 HB THR A 15 6.702 -3.457 -11.299 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.845 -4.214 -10.680 1.00 0.48 H new ATOM 0 HG21 THR A 15 8.038 -2.286 -9.584 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.291 -2.201 -9.251 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.319 -3.325 -8.330 1.00 0.43 H new ATOM 266 N ARG A 16 5.981 -6.830 -8.729 1.00 0.32 N ATOM 267 CA ARG A 16 6.059 -7.655 -7.533 1.00 0.31 C ATOM 268 C ARG A 16 7.292 -7.294 -6.712 1.00 0.33 C ATOM 269 O ARG A 16 7.224 -7.159 -5.491 1.00 0.45 O ATOM 270 CB ARG A 16 6.088 -9.132 -7.926 1.00 0.36 C ATOM 271 CG ARG A 16 6.094 -10.078 -6.739 1.00 0.45 C ATOM 272 CD ARG A 16 4.890 -9.853 -5.837 1.00 0.38 C ATOM 273 NE ARG A 16 4.776 -10.871 -4.796 1.00 0.32 N ATOM 274 CZ ARG A 16 4.409 -10.613 -3.541 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.252 -9.359 -3.137 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.221 -11.610 -2.683 1.00 0.51 N ATOM 0 H ARG A 16 6.060 -7.350 -9.603 1.00 0.32 H new ATOM 0 HA ARG A 16 5.178 -7.470 -6.918 1.00 0.31 H new ATOM 0 HB2 ARG A 16 5.221 -9.350 -8.549 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.973 -9.320 -8.534 1.00 0.36 H new ATOM 0 HG2 ARG A 16 6.095 -11.108 -7.094 1.00 0.45 H new ATOM 0 HG3 ARG A 16 7.010 -9.937 -6.166 1.00 0.45 H new ATOM 0 HD2 ARG A 16 4.966 -8.870 -5.373 1.00 0.38 H new ATOM 0 HD3 ARG A 16 3.982 -9.851 -6.441 1.00 0.38 H new ATOM 0 HE ARG A 16 4.990 -11.837 -5.044 1.00 0.32 H new ATOM 0 HH11 ARG A 16 4.412 -8.590 -3.787 1.00 0.49 H new ATOM 0 HH12 ARG A 16 3.971 -9.164 -2.176 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.358 -12.575 -2.984 1.00 0.51 H new ATOM 0 HH22 ARG A 16 3.940 -11.411 -1.723 1.00 0.51 H new ATOM 290 N ASP A 17 8.410 -7.132 -7.396 1.00 0.37 N ATOM 291 CA ASP A 17 9.644 -6.707 -6.759 1.00 0.42 C ATOM 292 C ASP A 17 9.801 -5.203 -6.947 1.00 0.36 C ATOM 293 O ASP A 17 10.419 -4.744 -7.912 1.00 0.46 O ATOM 294 CB ASP A 17 10.833 -7.459 -7.375 1.00 0.60 C ATOM 295 CG ASP A 17 12.096 -7.384 -6.538 1.00 1.16 C ATOM 296 OD1 ASP A 17 12.839 -6.384 -6.647 1.00 1.40 O ATOM 297 OD2 ASP A 17 12.364 -8.347 -5.791 1.00 1.94 O ATOM 0 H ASP A 17 8.489 -7.290 -8.401 1.00 0.37 H new ATOM 0 HA ASP A 17 9.614 -6.934 -5.693 1.00 0.42 H new ATOM 0 HB2 ASP A 17 10.559 -8.505 -7.512 1.00 0.60 H new ATOM 0 HB3 ASP A 17 11.038 -7.051 -8.365 1.00 0.60 H new ATOM 302 N VAL A 18 9.181 -4.434 -6.058 1.00 0.31 N ATOM 303 CA VAL A 18 9.223 -2.983 -6.167 1.00 0.29 C ATOM 304 C VAL A 18 10.599 -2.463 -5.769 1.00 0.29 C ATOM 305 O VAL A 18 11.171 -2.889 -4.763 1.00 0.35 O ATOM 306 CB VAL A 18 8.107 -2.278 -5.343 1.00 0.36 C ATOM 307 CG1 VAL A 18 8.001 -2.817 -3.928 1.00 0.53 C ATOM 308 CG2 VAL A 18 8.336 -0.775 -5.313 1.00 0.58 C ATOM 0 H VAL A 18 8.649 -4.788 -5.263 1.00 0.31 H new ATOM 0 HA VAL A 18 9.034 -2.739 -7.212 1.00 0.29 H new ATOM 0 HB VAL A 18 7.162 -2.491 -5.843 1.00 0.36 H new ATOM 0 HG11 VAL A 18 7.208 -2.291 -3.397 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.772 -3.882 -3.961 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.947 -2.665 -3.409 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.546 -0.298 -4.733 1.00 0.58 H new ATOM 0 HG22 VAL A 18 9.302 -0.563 -4.854 1.00 0.58 H new ATOM 0 HG23 VAL A 18 8.324 -0.385 -6.331 1.00 0.58 H new ATOM 318 N ASP A 19 11.146 -1.570 -6.579 1.00 0.34 N ATOM 319 CA ASP A 19 12.480 -1.046 -6.331 1.00 0.41 C ATOM 320 C ASP A 19 12.430 0.035 -5.263 1.00 0.39 C ATOM 321 O ASP A 19 12.346 1.228 -5.565 1.00 0.46 O ATOM 322 CB ASP A 19 13.104 -0.498 -7.615 1.00 0.58 C ATOM 323 CG ASP A 19 14.614 -0.376 -7.517 1.00 1.11 C ATOM 324 OD1 ASP A 19 15.093 0.386 -6.648 1.00 1.91 O ATOM 325 OD2 ASP A 19 15.327 -1.035 -8.297 1.00 1.28 O ATOM 0 H ASP A 19 10.689 -1.194 -7.410 1.00 0.34 H new ATOM 0 HA ASP A 19 13.106 -1.865 -5.976 1.00 0.41 H new ATOM 0 HB2 ASP A 19 12.848 -1.152 -8.448 1.00 0.58 H new ATOM 0 HB3 ASP A 19 12.676 0.480 -7.835 1.00 0.58 H new ATOM 330 N CYS A 20 12.419 -0.403 -4.013 1.00 0.38 N ATOM 331 CA CYS A 20 12.352 0.493 -2.869 1.00 0.40 C ATOM 332 C CYS A 20 13.433 1.570 -2.921 1.00 0.38 C ATOM 333 O CYS A 20 13.145 2.756 -2.793 1.00 0.39 O ATOM 334 CB CYS A 20 12.490 -0.303 -1.580 1.00 0.51 C ATOM 335 SG CYS A 20 11.596 -1.892 -1.593 1.00 0.93 S ATOM 0 H CYS A 20 12.456 -1.391 -3.763 1.00 0.38 H new ATOM 0 HA CYS A 20 11.383 0.991 -2.900 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.547 -0.494 -1.394 1.00 0.51 H new ATOM 0 HB3 CYS A 20 12.124 0.302 -0.750 1.00 0.51 H new ATOM 340 N ASP A 21 14.675 1.146 -3.131 1.00 0.47 N ATOM 341 CA ASP A 21 15.828 2.048 -3.064 1.00 0.59 C ATOM 342 C ASP A 21 15.785 3.133 -4.136 1.00 0.53 C ATOM 343 O ASP A 21 16.556 4.091 -4.088 1.00 0.64 O ATOM 344 CB ASP A 21 17.132 1.263 -3.189 1.00 0.85 C ATOM 345 CG ASP A 21 17.419 0.417 -1.968 1.00 1.36 C ATOM 346 OD1 ASP A 21 16.829 -0.680 -1.847 1.00 2.26 O ATOM 347 OD2 ASP A 21 18.228 0.841 -1.122 1.00 1.66 O ATOM 0 H ASP A 21 14.913 0.179 -3.350 1.00 0.47 H new ATOM 0 HA ASP A 21 15.782 2.538 -2.092 1.00 0.59 H new ATOM 0 HB2 ASP A 21 17.083 0.621 -4.068 1.00 0.85 H new ATOM 0 HB3 ASP A 21 17.957 1.958 -3.347 1.00 0.85 H new ATOM 352 N ASN A 22 14.914 2.976 -5.116 1.00 0.50 N ATOM 353 CA ASN A 22 14.736 3.997 -6.138 1.00 0.49 C ATOM 354 C ASN A 22 13.431 4.743 -5.915 1.00 0.42 C ATOM 355 O ASN A 22 13.415 5.966 -5.775 1.00 0.43 O ATOM 356 CB ASN A 22 14.749 3.358 -7.531 1.00 0.59 C ATOM 357 CG ASN A 22 14.846 4.368 -8.664 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.405 5.512 -8.547 1.00 1.07 O ATOM 359 ND2 ASN A 22 15.417 3.942 -9.781 1.00 1.14 N ATOM 0 H ASN A 22 14.319 2.155 -5.228 1.00 0.50 H new ATOM 0 HA ASN A 22 15.560 4.707 -6.070 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.591 2.668 -7.597 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.842 2.767 -7.659 1.00 0.59 H new ATOM 0 HD21 ASN A 22 15.503 4.569 -10.581 1.00 1.14 H new ATOM 0 HD22 ASN A 22 15.771 2.987 -9.841 1.00 1.14 H new ATOM 366 N ILE A 23 12.341 3.994 -5.850 1.00 0.40 N ATOM 367 CA ILE A 23 11.011 4.577 -5.740 1.00 0.38 C ATOM 368 C ILE A 23 10.836 5.343 -4.427 1.00 0.33 C ATOM 369 O ILE A 23 10.216 6.405 -4.405 1.00 0.34 O ATOM 370 CB ILE A 23 9.917 3.490 -5.891 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.959 2.917 -7.315 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.532 4.044 -5.575 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.932 1.838 -7.577 1.00 0.48 C ATOM 0 H ILE A 23 12.351 2.974 -5.872 1.00 0.40 H new ATOM 0 HA ILE A 23 10.900 5.292 -6.555 1.00 0.38 H new ATOM 0 HB ILE A 23 10.118 2.694 -5.174 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.807 3.729 -8.026 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.953 2.511 -7.503 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.789 3.255 -5.691 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.513 4.412 -4.549 1.00 0.40 H new ATOM 0 HG23 ILE A 23 8.302 4.861 -6.258 1.00 0.40 H new ATOM 0 HD11 ILE A 23 9.028 1.486 -8.604 1.00 0.48 H new ATOM 0 HD12 ILE A 23 9.095 1.006 -6.892 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.932 2.243 -7.424 1.00 0.48 H new ATOM 385 N LEU A 24 11.419 4.836 -3.344 1.00 0.30 N ATOM 386 CA LEU A 24 11.262 5.474 -2.038 1.00 0.29 C ATOM 387 C LEU A 24 12.184 6.678 -1.902 1.00 0.32 C ATOM 388 O LEU A 24 12.015 7.498 -0.997 1.00 0.33 O ATOM 389 CB LEU A 24 11.541 4.494 -0.892 1.00 0.31 C ATOM 390 CG LEU A 24 10.747 3.186 -0.916 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.974 2.407 0.361 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.270 3.437 -1.107 1.00 1.01 C ATOM 0 H LEU A 24 11.998 3.996 -3.342 1.00 0.30 H new ATOM 0 HA LEU A 24 10.225 5.804 -1.972 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.603 4.251 -0.900 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.337 5.002 0.051 1.00 0.31 H new ATOM 0 HG LEU A 24 11.104 2.601 -1.764 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.402 1.480 0.328 1.00 1.03 H new ATOM 0 HD12 LEU A 24 12.034 2.176 0.463 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.649 3.003 1.214 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.738 2.486 -1.119 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.896 4.051 -0.288 1.00 1.01 H new ATOM 0 HD23 LEU A 24 9.108 3.955 -2.052 1.00 1.01 H new ATOM 404 N SER A 25 13.149 6.789 -2.806 1.00 0.36 N ATOM 405 CA SER A 25 14.102 7.891 -2.761 1.00 0.41 C ATOM 406 C SER A 25 13.473 9.176 -3.294 1.00 0.42 C ATOM 407 O SER A 25 14.044 10.262 -3.168 1.00 0.49 O ATOM 408 CB SER A 25 15.364 7.540 -3.551 1.00 0.50 C ATOM 409 OG SER A 25 16.030 6.427 -2.973 1.00 1.28 O ATOM 0 H SER A 25 13.292 6.134 -3.575 1.00 0.36 H new ATOM 0 HA SER A 25 14.381 8.058 -1.721 1.00 0.41 H new ATOM 0 HB2 SER A 25 15.100 7.315 -4.584 1.00 0.50 H new ATOM 0 HB3 SER A 25 16.035 8.399 -3.573 1.00 0.50 H new ATOM 0 HG SER A 25 16.148 5.729 -3.650 1.00 1.28 H new ATOM 415 N THR A 26 12.286 9.049 -3.872 1.00 0.41 N ATOM 416 CA THR A 26 11.563 10.199 -4.386 1.00 0.46 C ATOM 417 C THR A 26 11.032 11.052 -3.240 1.00 0.45 C ATOM 418 O THR A 26 11.009 10.617 -2.089 1.00 0.45 O ATOM 419 CB THR A 26 10.381 9.769 -5.275 1.00 0.49 C ATOM 420 OG1 THR A 26 9.478 8.951 -4.521 1.00 0.44 O ATOM 421 CG2 THR A 26 10.869 9.009 -6.497 1.00 0.56 C ATOM 0 H THR A 26 11.805 8.158 -3.996 1.00 0.41 H new ATOM 0 HA THR A 26 12.264 10.779 -4.986 1.00 0.46 H new ATOM 0 HB THR A 26 9.862 10.666 -5.614 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.700 8.006 -4.658 1.00 0.44 H new ATOM 0 HG21 THR A 26 10.015 8.716 -7.108 1.00 0.56 H new ATOM 0 HG22 THR A 26 11.532 9.647 -7.081 1.00 0.56 H new ATOM 0 HG23 THR A 26 11.410 8.118 -6.179 1.00 0.56 H new ATOM 429 N ASN A 27 10.590 12.255 -3.561 1.00 0.49 N ATOM 430 CA ASN A 27 10.027 13.163 -2.564 1.00 0.52 C ATOM 431 C ASN A 27 8.685 12.635 -2.055 1.00 0.52 C ATOM 432 O ASN A 27 8.190 13.058 -1.011 1.00 0.67 O ATOM 433 CB ASN A 27 9.866 14.564 -3.170 1.00 0.61 C ATOM 434 CG ASN A 27 9.351 15.592 -2.178 1.00 0.87 C ATOM 435 OD1 ASN A 27 10.125 16.192 -1.428 1.00 1.46 O ATOM 436 ND2 ASN A 27 8.048 15.824 -2.187 1.00 1.53 N ATOM 0 H ASN A 27 10.608 12.632 -4.509 1.00 0.49 H new ATOM 0 HA ASN A 27 10.708 13.224 -1.715 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.828 14.896 -3.560 1.00 0.61 H new ATOM 0 HB3 ASN A 27 9.180 14.510 -4.016 1.00 0.61 H new ATOM 0 HD21 ASN A 27 7.650 16.521 -1.558 1.00 1.53 H new ATOM 0 HD22 ASN A 27 7.442 15.306 -2.823 1.00 1.53 H new ATOM 443 N LEU A 28 8.124 11.679 -2.788 1.00 0.48 N ATOM 444 CA LEU A 28 6.838 11.081 -2.438 1.00 0.47 C ATOM 445 C LEU A 28 6.946 10.262 -1.153 1.00 0.45 C ATOM 446 O LEU A 28 5.971 10.112 -0.415 1.00 0.52 O ATOM 447 CB LEU A 28 6.338 10.194 -3.585 1.00 0.47 C ATOM 448 CG LEU A 28 4.991 9.503 -3.342 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.879 10.529 -3.172 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.671 8.553 -4.482 1.00 0.51 C ATOM 0 H LEU A 28 8.544 11.298 -3.636 1.00 0.48 H new ATOM 0 HA LEU A 28 6.123 11.887 -2.271 1.00 0.47 H new ATOM 0 HB2 LEU A 28 6.257 10.804 -4.485 1.00 0.47 H new ATOM 0 HB3 LEU A 28 7.089 9.429 -3.784 1.00 0.47 H new ATOM 0 HG LEU A 28 5.063 8.926 -2.420 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.933 10.015 -3.001 1.00 0.51 H new ATOM 0 HD12 LEU A 28 4.103 11.170 -2.320 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.804 11.137 -4.074 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.712 8.070 -4.295 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.620 9.111 -5.417 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.451 7.795 -4.554 1.00 0.51 H new ATOM 462 N PHE A 29 8.130 9.725 -0.899 1.00 0.42 N ATOM 463 CA PHE A 29 8.369 8.950 0.313 1.00 0.40 C ATOM 464 C PHE A 29 9.444 9.615 1.164 1.00 0.42 C ATOM 465 O PHE A 29 9.391 9.570 2.396 1.00 0.48 O ATOM 466 CB PHE A 29 8.781 7.520 -0.040 1.00 0.36 C ATOM 467 CG PHE A 29 7.771 6.800 -0.888 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.638 6.246 -0.316 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.955 6.675 -2.255 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.707 5.582 -1.088 1.00 0.44 C ATOM 471 CE2 PHE A 29 7.028 6.009 -3.034 1.00 0.39 C ATOM 472 CZ PHE A 29 5.902 5.476 -2.465 1.00 0.42 C ATOM 0 H PHE A 29 8.940 9.810 -1.513 1.00 0.42 H new ATOM 0 HA PHE A 29 7.443 8.912 0.888 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.735 7.544 -0.566 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.939 6.958 0.880 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.481 6.335 0.749 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.832 7.103 -2.717 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.832 5.147 -0.629 1.00 0.44 H new ATOM 0 HE2 PHE A 29 7.192 5.908 -4.097 1.00 0.39 H new ATOM 0 HZ PHE A 29 5.168 4.976 -3.080 1.00 0.42 H new ATOM 482 N HIS A 30 10.417 10.224 0.487 1.00 0.43 N ATOM 483 CA HIS A 30 11.497 10.969 1.133 1.00 0.52 C ATOM 484 C HIS A 30 12.364 10.036 1.975 1.00 0.45 C ATOM 485 O HIS A 30 12.951 10.451 2.976 1.00 0.48 O ATOM 486 CB HIS A 30 10.923 12.101 1.992 1.00 0.70 C ATOM 487 CG HIS A 30 11.893 13.214 2.242 1.00 1.23 C ATOM 488 ND1 HIS A 30 12.546 13.398 3.440 1.00 1.78 N ATOM 489 CD2 HIS A 30 12.311 14.215 1.432 1.00 2.07 C ATOM 490 CE1 HIS A 30 13.321 14.462 3.357 1.00 2.74 C ATOM 491 NE2 HIS A 30 13.198 14.979 2.148 1.00 2.97 N ATOM 0 H HIS A 30 10.478 10.214 -0.531 1.00 0.43 H new ATOM 0 HA HIS A 30 12.126 11.410 0.360 1.00 0.52 H new ATOM 0 HB2 HIS A 30 10.038 12.505 1.501 1.00 0.70 H new ATOM 0 HB3 HIS A 30 10.598 11.691 2.948 1.00 0.70 H new ATOM 0 HD2 HIS A 30 12.003 14.382 0.410 1.00 2.07 H new ATOM 0 HE1 HIS A 30 13.951 14.846 4.146 1.00 2.74 H new ATOM 0 HE2 HIS A 30 13.682 15.808 1.804 1.00 2.97 H new ATOM 500 N CYS A 31 12.464 8.789 1.523 1.00 0.44 N ATOM 501 CA CYS A 31 13.203 7.751 2.232 1.00 0.45 C ATOM 502 C CYS A 31 12.661 7.567 3.650 1.00 0.40 C ATOM 503 O CYS A 31 13.310 7.934 4.631 1.00 0.47 O ATOM 504 CB CYS A 31 14.701 8.071 2.272 1.00 0.62 C ATOM 505 SG CYS A 31 15.451 8.379 0.637 1.00 1.10 S ATOM 0 H CYS A 31 12.034 8.470 0.654 1.00 0.44 H new ATOM 0 HA CYS A 31 13.067 6.817 1.687 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.856 8.948 2.900 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.225 7.242 2.748 1.00 0.62 H new ATOM 510 N LYS A 32 11.454 7.021 3.746 1.00 0.39 N ATOM 511 CA LYS A 32 10.837 6.754 5.034 1.00 0.43 C ATOM 512 C LYS A 32 11.449 5.508 5.673 1.00 0.45 C ATOM 513 O LYS A 32 12.364 4.902 5.115 1.00 0.55 O ATOM 514 CB LYS A 32 9.320 6.611 4.872 1.00 0.50 C ATOM 515 CG LYS A 32 8.867 5.361 4.123 1.00 0.53 C ATOM 516 CD LYS A 32 7.431 5.491 3.629 1.00 0.90 C ATOM 517 CE LYS A 32 6.413 5.342 4.753 1.00 2.05 C ATOM 518 NZ LYS A 32 6.446 6.466 5.728 1.00 2.72 N ATOM 0 H LYS A 32 10.884 6.755 2.943 1.00 0.39 H new ATOM 0 HA LYS A 32 11.028 7.595 5.700 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.863 6.609 5.861 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.941 7.488 4.347 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.529 5.184 3.275 1.00 0.53 H new ATOM 0 HG3 LYS A 32 8.950 4.494 4.778 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.301 6.462 3.151 1.00 0.90 H new ATOM 0 HD3 LYS A 32 7.242 4.734 2.868 1.00 0.90 H new ATOM 0 HE2 LYS A 32 5.414 5.272 4.323 1.00 2.05 H new ATOM 0 HE3 LYS A 32 6.599 4.406 5.281 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 5.480 6.671 6.054 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 7.037 6.202 6.542 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 6.844 7.311 5.270 1.00 2.72 H new ATOM 532 N ASP A 33 10.961 5.142 6.847 1.00 0.49 N ATOM 533 CA ASP A 33 11.449 3.956 7.539 1.00 0.54 C ATOM 534 C ASP A 33 11.005 2.692 6.820 1.00 0.48 C ATOM 535 O ASP A 33 11.823 1.839 6.480 1.00 0.51 O ATOM 536 CB ASP A 33 10.959 3.913 8.990 1.00 0.66 C ATOM 537 CG ASP A 33 11.526 5.031 9.835 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.657 4.880 10.346 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.848 6.070 9.988 1.00 2.06 O ATOM 0 H ASP A 33 10.227 5.648 7.343 1.00 0.49 H new ATOM 0 HA ASP A 33 12.538 4.008 7.540 1.00 0.54 H new ATOM 0 HB2 ASP A 33 9.871 3.971 9.003 1.00 0.66 H new ATOM 0 HB3 ASP A 33 11.233 2.955 9.432 1.00 0.66 H new ATOM 544 N LYS A 34 9.706 2.579 6.585 1.00 0.44 N ATOM 545 CA LYS A 34 9.143 1.375 6.000 1.00 0.41 C ATOM 546 C LYS A 34 7.829 1.681 5.290 1.00 0.38 C ATOM 547 O LYS A 34 7.030 2.492 5.759 1.00 0.43 O ATOM 548 CB LYS A 34 8.976 0.314 7.107 1.00 0.48 C ATOM 549 CG LYS A 34 8.031 -0.841 6.796 1.00 0.95 C ATOM 550 CD LYS A 34 6.598 -0.508 7.180 1.00 1.27 C ATOM 551 CE LYS A 34 5.717 -1.743 7.145 1.00 1.96 C ATOM 552 NZ LYS A 34 4.291 -1.422 7.409 1.00 2.60 N ATOM 0 H LYS A 34 9.023 3.308 6.791 1.00 0.44 H new ATOM 0 HA LYS A 34 9.818 0.979 5.241 1.00 0.41 H new ATOM 0 HB2 LYS A 34 9.958 -0.099 7.336 1.00 0.48 H new ATOM 0 HB3 LYS A 34 8.622 0.813 8.009 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.079 -1.075 5.733 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.355 -1.732 7.333 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.579 -0.073 8.179 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.202 0.244 6.497 1.00 1.27 H new ATOM 0 HE2 LYS A 34 5.805 -2.223 6.170 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.070 -2.460 7.886 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 3.942 -2.011 8.191 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 4.203 -0.418 7.666 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 3.729 -1.611 6.555 1.00 2.60 H new ATOM 566 N ASN A 35 7.622 1.034 4.152 1.00 0.37 N ATOM 567 CA ASN A 35 6.401 1.207 3.375 1.00 0.36 C ATOM 568 C ASN A 35 5.936 -0.134 2.829 1.00 0.34 C ATOM 569 O ASN A 35 6.747 -0.939 2.380 1.00 0.38 O ATOM 570 CB ASN A 35 6.608 2.168 2.202 1.00 0.36 C ATOM 571 CG ASN A 35 5.291 2.528 1.537 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.247 2.590 2.191 1.00 0.75 O ATOM 573 ND2 ASN A 35 5.324 2.751 0.236 1.00 0.35 N ATOM 0 H ASN A 35 8.289 0.379 3.743 1.00 0.37 H new ATOM 0 HA ASN A 35 5.649 1.627 4.043 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.098 3.075 2.556 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.274 1.711 1.469 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.466 2.984 -0.263 1.00 0.35 H new ATOM 0 HD22 ASN A 35 6.208 2.690 -0.270 1.00 0.35 H new ATOM 580 N THR A 36 4.638 -0.372 2.857 1.00 0.32 N ATOM 581 CA THR A 36 4.087 -1.619 2.355 1.00 0.30 C ATOM 582 C THR A 36 3.291 -1.379 1.072 1.00 0.26 C ATOM 583 O THR A 36 2.290 -0.654 1.078 1.00 0.28 O ATOM 584 CB THR A 36 3.179 -2.281 3.407 1.00 0.36 C ATOM 585 OG1 THR A 36 3.832 -2.271 4.683 1.00 0.45 O ATOM 586 CG2 THR A 36 2.842 -3.716 3.015 1.00 0.37 C ATOM 0 H THR A 36 3.945 0.281 3.222 1.00 0.32 H new ATOM 0 HA THR A 36 4.921 -2.287 2.139 1.00 0.30 H new ATOM 0 HB THR A 36 2.250 -1.713 3.464 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.409 -3.060 4.762 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.200 -4.160 3.776 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.324 -3.719 2.056 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.761 -4.296 2.933 1.00 0.37 H new ATOM 594 N PHE A 37 3.749 -1.967 -0.026 1.00 0.21 N ATOM 595 CA PHE A 37 3.060 -1.840 -1.304 1.00 0.18 C ATOM 596 C PHE A 37 2.164 -3.047 -1.546 1.00 0.18 C ATOM 597 O PHE A 37 2.411 -4.137 -1.027 1.00 0.21 O ATOM 598 CB PHE A 37 4.052 -1.722 -2.464 1.00 0.17 C ATOM 599 CG PHE A 37 4.975 -0.536 -2.398 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.114 -0.555 -1.599 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.682 0.617 -3.109 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.933 0.551 -1.515 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.505 1.720 -3.032 1.00 0.20 C ATOM 604 CZ PHE A 37 6.723 1.617 -2.321 1.00 0.20 C ATOM 0 H PHE A 37 4.595 -2.537 -0.057 1.00 0.21 H new ATOM 0 HA PHE A 37 2.458 -0.932 -1.259 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.654 -2.630 -2.500 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.491 -1.675 -3.397 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.359 -1.445 -1.039 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.799 0.652 -3.730 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.745 0.566 -0.803 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.224 2.648 -3.507 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.479 2.382 -2.421 1.00 0.20 H new ATOM 614 N ILE A 38 1.133 -2.838 -2.339 1.00 0.18 N ATOM 615 CA ILE A 38 0.210 -3.890 -2.704 1.00 0.17 C ATOM 616 C ILE A 38 0.380 -4.230 -4.177 1.00 0.17 C ATOM 617 O ILE A 38 0.173 -3.375 -5.043 1.00 0.18 O ATOM 618 CB ILE A 38 -1.248 -3.452 -2.449 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.411 -2.992 -0.995 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.214 -4.590 -2.772 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.664 -2.185 -0.749 1.00 0.22 C ATOM 0 H ILE A 38 0.912 -1.931 -2.749 1.00 0.18 H new ATOM 0 HA ILE A 38 0.426 -4.766 -2.092 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.484 -2.615 -3.105 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.420 -3.867 -0.345 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.544 -2.395 -0.713 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.237 -4.263 -2.586 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.108 -4.871 -3.820 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -1.988 -5.449 -2.141 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.710 -1.896 0.301 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.649 -1.291 -1.372 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.539 -2.786 -0.998 1.00 0.22 H new ATOM 633 N TYR A 39 0.788 -5.456 -4.456 1.00 0.16 N ATOM 634 CA TYR A 39 0.909 -5.925 -5.824 1.00 0.17 C ATOM 635 C TYR A 39 -0.461 -6.335 -6.340 1.00 0.18 C ATOM 636 O TYR A 39 -0.881 -7.489 -6.205 1.00 0.18 O ATOM 637 CB TYR A 39 1.903 -7.091 -5.921 1.00 0.20 C ATOM 638 CG TYR A 39 1.990 -7.710 -7.299 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.378 -6.958 -8.398 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.682 -9.049 -7.495 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.454 -7.526 -9.657 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.757 -9.621 -8.747 1.00 0.34 C ATOM 643 CZ TYR A 39 2.141 -8.857 -9.826 1.00 0.35 C ATOM 644 OH TYR A 39 2.215 -9.427 -11.080 1.00 0.40 O ATOM 0 H TYR A 39 1.042 -6.147 -3.750 1.00 0.16 H new ATOM 0 HA TYR A 39 1.295 -5.116 -6.443 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.892 -6.738 -5.629 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.616 -7.861 -5.205 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.624 -5.914 -8.269 1.00 0.26 H new ATOM 0 HD2 TYR A 39 1.379 -9.653 -6.653 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.757 -6.929 -10.504 1.00 0.31 H new ATOM 0 HE2 TYR A 39 1.515 -10.665 -8.881 1.00 0.34 H new ATOM 0 HH TYR A 39 1.963 -10.372 -11.025 1.00 0.40 H new ATOM 654 N SER A 40 -1.164 -5.363 -6.885 1.00 0.23 N ATOM 655 CA SER A 40 -2.503 -5.559 -7.393 1.00 0.26 C ATOM 656 C SER A 40 -2.907 -4.306 -8.153 1.00 0.29 C ATOM 657 O SER A 40 -2.111 -3.374 -8.286 1.00 0.50 O ATOM 658 CB SER A 40 -3.478 -5.833 -6.235 1.00 0.25 C ATOM 659 OG SER A 40 -4.734 -6.292 -6.713 1.00 0.93 O ATOM 0 H SER A 40 -0.818 -4.409 -6.988 1.00 0.23 H new ATOM 0 HA SER A 40 -2.533 -6.421 -8.059 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.048 -6.577 -5.564 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.619 -4.922 -5.653 1.00 0.25 H new ATOM 0 HG SER A 40 -5.331 -6.459 -5.954 1.00 0.93 H new ATOM 665 N ARG A 41 -4.126 -4.272 -8.653 1.00 0.25 N ATOM 666 CA ARG A 41 -4.611 -3.102 -9.350 1.00 0.27 C ATOM 667 C ARG A 41 -5.434 -2.231 -8.421 1.00 0.22 C ATOM 668 O ARG A 41 -5.988 -2.704 -7.429 1.00 0.23 O ATOM 669 CB ARG A 41 -5.427 -3.488 -10.584 1.00 0.33 C ATOM 670 CG ARG A 41 -4.572 -3.944 -11.749 1.00 0.54 C ATOM 671 CD ARG A 41 -3.672 -2.817 -12.221 1.00 1.08 C ATOM 672 NE ARG A 41 -2.825 -3.209 -13.343 1.00 1.30 N ATOM 673 CZ ARG A 41 -2.127 -2.345 -14.079 1.00 2.21 C ATOM 674 NH1 ARG A 41 -2.229 -1.039 -13.856 1.00 2.92 N ATOM 675 NH2 ARG A 41 -1.322 -2.786 -15.040 1.00 2.66 N ATOM 0 H ARG A 41 -4.795 -5.039 -8.589 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.745 -2.532 -9.686 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.121 -4.285 -10.317 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -6.028 -2.634 -10.896 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.967 -4.800 -11.450 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.210 -4.275 -12.568 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -4.286 -1.965 -12.514 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -3.044 -2.488 -11.394 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.764 -4.200 -13.577 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.844 -0.694 -13.119 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.693 -0.382 -14.422 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -1.238 -3.787 -15.215 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -0.788 -2.123 -15.602 1.00 2.66 H new ATOM 689 N PRO A 42 -5.512 -0.940 -8.737 1.00 0.22 N ATOM 690 CA PRO A 42 -6.286 0.027 -7.965 1.00 0.21 C ATOM 691 C PRO A 42 -7.768 -0.327 -7.920 1.00 0.20 C ATOM 692 O PRO A 42 -8.422 -0.124 -6.906 1.00 0.23 O ATOM 693 CB PRO A 42 -6.063 1.352 -8.707 1.00 0.24 C ATOM 694 CG PRO A 42 -5.542 0.980 -10.051 1.00 0.25 C ATOM 695 CD PRO A 42 -4.832 -0.325 -9.880 1.00 0.30 C ATOM 0 HA PRO A 42 -5.971 0.060 -6.922 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.992 1.915 -8.790 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.353 1.985 -8.174 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.355 0.889 -10.771 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.864 1.745 -10.430 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.910 -0.944 -10.774 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.769 -0.181 -9.684 1.00 0.30 H new ATOM 703 N GLU A 43 -8.285 -0.902 -8.996 1.00 0.21 N ATOM 704 CA GLU A 43 -9.708 -1.182 -9.089 1.00 0.25 C ATOM 705 C GLU A 43 -10.156 -2.224 -8.054 1.00 0.23 C ATOM 706 O GLU A 43 -11.047 -1.950 -7.252 1.00 0.24 O ATOM 707 CB GLU A 43 -10.069 -1.628 -10.503 1.00 0.36 C ATOM 708 CG GLU A 43 -10.079 -0.491 -11.508 1.00 0.48 C ATOM 709 CD GLU A 43 -11.011 0.632 -11.101 1.00 1.60 C ATOM 710 OE1 GLU A 43 -12.228 0.523 -11.358 1.00 1.99 O ATOM 711 OE2 GLU A 43 -10.531 1.629 -10.524 1.00 2.36 O ATOM 0 H GLU A 43 -7.742 -1.182 -9.813 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.243 -0.259 -8.865 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.357 -2.386 -10.830 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -11.052 -2.099 -10.488 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -9.068 -0.098 -11.618 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -10.380 -0.874 -12.483 1.00 0.48 H new ATOM 718 N PRO A 44 -9.543 -3.425 -8.037 1.00 0.24 N ATOM 719 CA PRO A 44 -9.895 -4.474 -7.071 1.00 0.26 C ATOM 720 C PRO A 44 -9.623 -4.064 -5.620 1.00 0.24 C ATOM 721 O PRO A 44 -10.202 -4.630 -4.693 1.00 0.27 O ATOM 722 CB PRO A 44 -9.009 -5.658 -7.471 1.00 0.30 C ATOM 723 CG PRO A 44 -7.908 -5.070 -8.282 1.00 0.36 C ATOM 724 CD PRO A 44 -8.494 -3.871 -8.964 1.00 0.27 C ATOM 0 HA PRO A 44 -10.961 -4.698 -7.101 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.619 -6.172 -6.592 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.572 -6.393 -8.046 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.066 -4.787 -7.650 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -7.533 -5.789 -9.010 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.745 -3.096 -9.125 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.904 -4.126 -9.941 1.00 0.27 H new ATOM 732 N VAL A 45 -8.760 -3.072 -5.427 1.00 0.20 N ATOM 733 CA VAL A 45 -8.457 -2.580 -4.085 1.00 0.19 C ATOM 734 C VAL A 45 -9.442 -1.478 -3.695 1.00 0.17 C ATOM 735 O VAL A 45 -9.838 -1.361 -2.536 1.00 0.18 O ATOM 736 CB VAL A 45 -7.002 -2.058 -3.982 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.723 -1.472 -2.605 1.00 0.20 C ATOM 738 CG2 VAL A 45 -6.018 -3.176 -4.289 1.00 0.23 C ATOM 0 H VAL A 45 -8.260 -2.594 -6.177 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.558 -3.416 -3.393 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.876 -1.263 -4.718 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.694 -1.114 -2.563 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.404 -0.642 -2.418 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.871 -2.240 -1.846 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.999 -2.795 -4.213 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.156 -3.988 -3.575 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.192 -3.547 -5.299 1.00 0.23 H new ATOM 748 N LYS A 46 -9.858 -0.694 -4.678 1.00 0.15 N ATOM 749 CA LYS A 46 -10.872 0.333 -4.471 1.00 0.15 C ATOM 750 C LYS A 46 -12.226 -0.327 -4.234 1.00 0.17 C ATOM 751 O LYS A 46 -13.045 0.161 -3.456 1.00 0.20 O ATOM 752 CB LYS A 46 -10.935 1.244 -5.695 1.00 0.17 C ATOM 753 CG LYS A 46 -11.691 2.545 -5.484 1.00 0.20 C ATOM 754 CD LYS A 46 -11.780 3.316 -6.786 1.00 0.27 C ATOM 755 CE LYS A 46 -12.442 4.667 -6.604 1.00 0.37 C ATOM 756 NZ LYS A 46 -12.631 5.363 -7.905 1.00 1.36 N ATOM 0 H LYS A 46 -9.507 -0.749 -5.634 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.613 0.932 -3.598 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.918 1.478 -6.009 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.403 0.697 -6.514 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.692 2.335 -5.108 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.187 3.149 -4.729 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.779 3.455 -7.194 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.342 2.732 -7.515 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.408 4.537 -6.116 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -11.833 5.286 -5.945 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -13.086 6.284 -7.743 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -11.706 5.509 -8.358 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -13.233 4.783 -8.525 1.00 1.36 H new ATOM 770 N ALA A 47 -12.429 -1.467 -4.894 1.00 0.18 N ATOM 771 CA ALA A 47 -13.670 -2.229 -4.787 1.00 0.22 C ATOM 772 C ALA A 47 -13.885 -2.770 -3.374 1.00 0.22 C ATOM 773 O ALA A 47 -14.979 -3.215 -3.030 1.00 0.27 O ATOM 774 CB ALA A 47 -13.675 -3.371 -5.791 1.00 0.26 C ATOM 0 H ALA A 47 -11.738 -1.887 -5.516 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.493 -1.549 -5.010 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.606 -3.931 -5.701 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.590 -2.968 -6.800 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.832 -4.033 -5.593 1.00 0.26 H new ATOM 780 N ILE A 48 -12.837 -2.744 -2.560 1.00 0.20 N ATOM 781 CA ILE A 48 -12.945 -3.154 -1.168 1.00 0.21 C ATOM 782 C ILE A 48 -13.764 -2.124 -0.396 1.00 0.21 C ATOM 783 O ILE A 48 -14.473 -2.447 0.561 1.00 0.23 O ATOM 784 CB ILE A 48 -11.552 -3.314 -0.520 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.680 -4.224 -1.389 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.677 -3.888 0.886 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.244 -4.311 -0.931 1.00 0.21 C ATOM 0 H ILE A 48 -11.904 -2.443 -2.841 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.444 -4.123 -1.133 1.00 0.21 H new ATOM 0 HB ILE A 48 -11.083 -2.333 -0.447 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -11.111 -5.225 -1.396 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.702 -3.860 -2.416 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.685 -3.993 1.326 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.277 -3.217 1.501 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -12.158 -4.865 0.839 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.690 -4.973 -1.596 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.795 -3.318 -0.951 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -9.209 -4.704 0.085 1.00 0.21 H new ATOM 799 N CYS A 49 -13.700 -0.888 -0.864 1.00 0.20 N ATOM 800 CA CYS A 49 -14.368 0.221 -0.209 1.00 0.21 C ATOM 801 C CYS A 49 -15.646 0.602 -0.939 1.00 0.25 C ATOM 802 O CYS A 49 -16.316 1.567 -0.572 1.00 0.25 O ATOM 803 CB CYS A 49 -13.421 1.415 -0.137 1.00 0.19 C ATOM 804 SG CYS A 49 -11.925 1.088 0.840 1.00 0.18 S ATOM 0 H CYS A 49 -13.185 -0.628 -1.705 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.642 -0.086 0.800 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -13.131 1.701 -1.148 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.950 2.264 0.295 1.00 0.19 H new ATOM 809 N LYS A 50 -15.989 -0.164 -1.967 1.00 0.32 N ATOM 810 CA LYS A 50 -17.196 0.094 -2.739 1.00 0.40 C ATOM 811 C LYS A 50 -18.424 -0.004 -1.845 1.00 0.39 C ATOM 812 O LYS A 50 -18.705 -1.056 -1.272 1.00 0.47 O ATOM 813 CB LYS A 50 -17.316 -0.893 -3.904 1.00 0.54 C ATOM 814 CG LYS A 50 -18.441 -0.558 -4.870 1.00 0.68 C ATOM 815 CD LYS A 50 -18.593 -1.622 -5.945 1.00 0.92 C ATOM 816 CE LYS A 50 -19.091 -2.934 -5.362 1.00 1.58 C ATOM 817 NZ LYS A 50 -19.202 -3.999 -6.394 1.00 2.33 N ATOM 0 H LYS A 50 -15.448 -0.968 -2.285 1.00 0.32 H new ATOM 0 HA LYS A 50 -17.132 1.103 -3.146 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.373 -0.914 -4.450 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.476 -1.895 -3.506 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.377 -0.460 -4.319 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.244 0.407 -5.338 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.290 -1.274 -6.708 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.634 -1.782 -6.438 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -18.411 -3.262 -4.575 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -20.064 -2.777 -4.897 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -19.545 -4.876 -5.952 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -19.870 -3.699 -7.132 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -18.268 -4.168 -6.820 1.00 2.33 H new ATOM 831 N GLY A 51 -19.130 1.106 -1.712 1.00 0.36 N ATOM 832 CA GLY A 51 -20.323 1.134 -0.898 1.00 0.38 C ATOM 833 C GLY A 51 -20.059 1.622 0.513 1.00 0.37 C ATOM 834 O GLY A 51 -20.952 1.600 1.359 1.00 0.44 O ATOM 0 H GLY A 51 -18.896 1.993 -2.157 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -21.064 1.780 -1.369 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.753 0.133 -0.857 1.00 0.38 H new ATOM 838 N ILE A 52 -18.832 2.057 0.779 1.00 0.31 N ATOM 839 CA ILE A 52 -18.472 2.534 2.110 1.00 0.29 C ATOM 840 C ILE A 52 -18.212 4.038 2.089 1.00 0.29 C ATOM 841 O ILE A 52 -17.104 4.479 1.791 1.00 0.27 O ATOM 842 CB ILE A 52 -17.211 1.821 2.644 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.276 0.313 2.366 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.052 2.084 4.136 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.429 -0.401 3.040 1.00 0.33 C ATOM 0 H ILE A 52 -18.075 2.089 0.096 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.312 2.311 2.768 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.342 2.222 2.123 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.348 0.158 1.290 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.342 -0.144 2.692 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.160 1.576 4.502 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.956 3.156 4.308 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.927 1.708 4.667 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.397 -1.461 2.789 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.349 -0.281 4.120 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.372 0.025 2.696 1.00 0.33 H new ATOM 857 N ILE A 53 -19.234 4.824 2.394 1.00 0.33 N ATOM 858 CA ILE A 53 -19.123 6.274 2.350 1.00 0.35 C ATOM 859 C ILE A 53 -18.500 6.823 3.633 1.00 0.34 C ATOM 860 O ILE A 53 -17.576 7.635 3.578 1.00 0.35 O ATOM 861 CB ILE A 53 -20.498 6.943 2.099 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.955 6.739 0.646 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.446 8.433 2.415 1.00 0.42 C ATOM 864 CD1 ILE A 53 -21.126 5.296 0.220 1.00 0.55 C ATOM 0 H ILE A 53 -20.152 4.480 2.675 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.467 6.517 1.514 1.00 0.35 H new ATOM 0 HB ILE A 53 -21.218 6.466 2.764 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.903 7.258 0.504 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -20.230 7.213 -0.016 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.424 8.878 2.230 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -20.175 8.574 3.461 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.702 8.914 1.780 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.450 5.260 -0.820 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -20.176 4.771 0.323 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.875 4.817 0.850 1.00 0.55 H new ATOM 876 N ALA A 54 -18.993 6.376 4.777 1.00 0.37 N ATOM 877 CA ALA A 54 -18.481 6.849 6.058 1.00 0.38 C ATOM 878 C ALA A 54 -17.155 6.172 6.377 1.00 0.33 C ATOM 879 O ALA A 54 -16.972 4.999 6.062 1.00 0.32 O ATOM 880 CB ALA A 54 -19.496 6.596 7.163 1.00 0.46 C ATOM 0 H ALA A 54 -19.744 5.689 4.847 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.312 7.924 5.992 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.098 6.955 8.112 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.422 7.124 6.935 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.697 5.527 7.235 1.00 0.46 H new ATOM 886 N SER A 55 -16.232 6.932 6.971 1.00 0.34 N ATOM 887 CA SER A 55 -14.912 6.420 7.341 1.00 0.34 C ATOM 888 C SER A 55 -15.013 5.121 8.142 1.00 0.32 C ATOM 889 O SER A 55 -15.326 5.131 9.336 1.00 0.36 O ATOM 890 CB SER A 55 -14.152 7.483 8.137 1.00 0.41 C ATOM 891 OG SER A 55 -14.960 8.021 9.175 1.00 1.42 O ATOM 0 H SER A 55 -16.378 7.913 7.208 1.00 0.34 H new ATOM 0 HA SER A 55 -14.366 6.194 6.425 1.00 0.34 H new ATOM 0 HB2 SER A 55 -13.250 7.046 8.564 1.00 0.41 H new ATOM 0 HB3 SER A 55 -13.833 8.283 7.469 1.00 0.41 H new ATOM 0 HG SER A 55 -15.398 7.291 9.660 1.00 1.42 H new ATOM 897 N LYS A 56 -14.757 4.010 7.476 1.00 0.30 N ATOM 898 CA LYS A 56 -14.882 2.698 8.086 1.00 0.31 C ATOM 899 C LYS A 56 -13.672 1.838 7.747 1.00 0.29 C ATOM 900 O LYS A 56 -13.340 1.657 6.575 1.00 0.27 O ATOM 901 CB LYS A 56 -16.169 2.033 7.586 1.00 0.34 C ATOM 902 CG LYS A 56 -16.432 0.647 8.155 1.00 0.40 C ATOM 903 CD LYS A 56 -17.669 0.027 7.520 1.00 0.51 C ATOM 904 CE LYS A 56 -17.945 -1.376 8.044 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.319 -1.379 9.484 1.00 1.71 N ATOM 0 H LYS A 56 -14.458 3.991 6.501 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.928 2.805 9.170 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -17.013 2.677 7.831 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.127 1.962 6.499 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.568 0.007 7.979 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.566 0.712 9.235 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.533 0.662 7.716 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -17.540 -0.010 6.438 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -18.748 -1.827 7.462 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -17.060 -1.996 7.900 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.563 -2.347 9.777 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -17.518 -1.037 10.052 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -19.139 -0.756 9.631 1.00 1.71 H new ATOM 919 N ASN A 57 -13.001 1.335 8.775 1.00 0.36 N ATOM 920 CA ASN A 57 -11.861 0.448 8.579 1.00 0.37 C ATOM 921 C ASN A 57 -12.353 -0.933 8.193 1.00 0.33 C ATOM 922 O ASN A 57 -13.098 -1.566 8.946 1.00 0.41 O ATOM 923 CB ASN A 57 -11.009 0.356 9.851 1.00 0.50 C ATOM 924 CG ASN A 57 -10.348 1.670 10.219 1.00 0.80 C ATOM 925 OD1 ASN A 57 -10.043 2.493 9.356 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.118 1.872 11.505 1.00 1.13 N ATOM 0 H ASN A 57 -13.226 1.525 9.752 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.241 0.856 7.781 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.637 0.027 10.679 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.240 -0.404 9.712 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.672 2.736 11.814 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.386 1.164 12.188 1.00 1.13 H new ATOM 933 N VAL A 58 -11.970 -1.392 7.013 1.00 0.28 N ATOM 934 CA VAL A 58 -12.409 -2.691 6.540 1.00 0.27 C ATOM 935 C VAL A 58 -11.216 -3.605 6.262 1.00 0.25 C ATOM 936 O VAL A 58 -10.193 -3.175 5.725 1.00 0.25 O ATOM 937 CB VAL A 58 -13.290 -2.575 5.276 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.418 -1.578 5.497 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.467 -2.199 4.058 1.00 0.57 C ATOM 0 H VAL A 58 -11.360 -0.887 6.370 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.013 -3.130 7.334 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.729 -3.554 5.086 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.026 -1.511 4.595 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.039 -1.909 6.330 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.998 -0.598 5.725 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.118 -2.126 3.187 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.981 -1.238 4.229 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.709 -2.962 3.881 1.00 0.57 H new ATOM 949 N LEU A 59 -11.355 -4.859 6.651 1.00 0.28 N ATOM 950 CA LEU A 59 -10.308 -5.845 6.466 1.00 0.26 C ATOM 951 C LEU A 59 -10.663 -6.734 5.276 1.00 0.26 C ATOM 952 O LEU A 59 -11.814 -7.146 5.125 1.00 0.30 O ATOM 953 CB LEU A 59 -10.169 -6.653 7.762 1.00 0.30 C ATOM 954 CG LEU A 59 -8.944 -7.562 7.899 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.160 -8.893 7.215 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.705 -6.879 7.359 1.00 0.67 C ATOM 0 H LEU A 59 -12.195 -5.221 7.103 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.351 -5.370 6.252 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.163 -5.952 8.597 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.060 -7.271 7.871 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.797 -7.756 8.961 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.270 -9.511 7.333 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.015 -9.398 7.664 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.351 -8.730 6.154 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.847 -7.543 7.467 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.850 -6.642 6.305 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.524 -5.960 7.916 1.00 0.67 H new ATOM 968 N THR A 60 -9.683 -7.021 4.436 1.00 0.22 N ATOM 969 CA THR A 60 -9.927 -7.752 3.198 1.00 0.22 C ATOM 970 C THR A 60 -10.297 -9.206 3.458 1.00 0.24 C ATOM 971 O THR A 60 -9.892 -9.803 4.454 1.00 0.33 O ATOM 972 CB THR A 60 -8.708 -7.690 2.259 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.537 -8.150 2.938 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.483 -6.273 1.766 1.00 0.24 C ATOM 0 H THR A 60 -8.709 -6.760 4.587 1.00 0.22 H new ATOM 0 HA THR A 60 -10.773 -7.264 2.714 1.00 0.22 H new ATOM 0 HB THR A 60 -8.906 -8.335 1.403 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.283 -9.031 2.591 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.617 -6.251 1.104 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.364 -5.933 1.222 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.306 -5.615 2.617 1.00 0.24 H new ATOM 982 N THR A 61 -11.073 -9.769 2.551 1.00 0.27 N ATOM 983 CA THR A 61 -11.545 -11.138 2.674 1.00 0.33 C ATOM 984 C THR A 61 -10.442 -12.139 2.349 1.00 0.33 C ATOM 985 O THR A 61 -10.456 -13.281 2.810 1.00 0.43 O ATOM 986 CB THR A 61 -12.741 -11.366 1.731 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.425 -10.884 0.414 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.978 -10.652 2.246 1.00 0.46 C ATOM 0 H THR A 61 -11.394 -9.292 1.709 1.00 0.27 H new ATOM 0 HA THR A 61 -11.854 -11.294 3.708 1.00 0.33 H new ATOM 0 HB THR A 61 -12.945 -12.436 1.691 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.189 -11.034 -0.181 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.810 -10.827 1.564 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.233 -11.033 3.235 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.780 -9.582 2.310 1.00 0.46 H new ATOM 996 N SER A 62 -9.473 -11.684 1.582 1.00 0.28 N ATOM 997 CA SER A 62 -8.417 -12.541 1.079 1.00 0.31 C ATOM 998 C SER A 62 -7.059 -11.875 1.252 1.00 0.26 C ATOM 999 O SER A 62 -6.979 -10.667 1.508 1.00 0.24 O ATOM 1000 CB SER A 62 -8.680 -12.850 -0.395 1.00 0.41 C ATOM 1001 OG SER A 62 -9.132 -11.689 -1.076 1.00 1.09 O ATOM 0 H SER A 62 -9.394 -10.710 1.289 1.00 0.28 H new ATOM 0 HA SER A 62 -8.408 -13.472 1.646 1.00 0.31 H new ATOM 0 HB2 SER A 62 -7.768 -13.221 -0.863 1.00 0.41 H new ATOM 0 HB3 SER A 62 -9.425 -13.641 -0.479 1.00 0.41 H new ATOM 0 HG SER A 62 -9.294 -11.905 -2.018 1.00 1.09 H new ATOM 1007 N GLU A 63 -5.997 -12.663 1.142 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.649 -12.133 1.238 1.00 0.23 C ATOM 1009 C GLU A 63 -4.183 -11.646 -0.122 1.00 0.24 C ATOM 1010 O GLU A 63 -4.337 -12.337 -1.130 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.669 -13.185 1.762 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.080 -13.805 3.087 1.00 0.34 C ATOM 1013 CD GLU A 63 -3.114 -14.869 3.560 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -2.914 -15.866 2.832 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -2.568 -14.726 4.672 1.00 2.06 O ATOM 0 H GLU A 63 -6.046 -13.670 0.986 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.670 -11.301 1.942 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.568 -13.975 1.018 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.686 -12.727 1.876 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -4.151 -13.023 3.843 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -5.074 -14.242 2.986 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.618 -10.459 -0.143 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.083 -9.896 -1.363 1.00 0.17 C ATOM 1024 C PHE A 64 -1.572 -10.003 -1.356 1.00 0.16 C ATOM 1025 O PHE A 64 -0.965 -10.253 -0.314 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.504 -8.438 -1.525 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.952 -8.258 -1.897 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.951 -8.513 -0.971 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.315 -7.839 -3.169 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.283 -8.355 -1.304 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.646 -7.680 -3.508 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.623 -7.913 -2.594 1.00 0.28 C ATOM 0 H PHE A 64 -3.517 -9.861 0.677 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.483 -10.459 -2.206 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.310 -7.908 -0.592 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.882 -7.973 -2.290 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.685 -8.839 0.024 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.549 -7.635 -3.903 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.055 -8.569 -0.580 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -6.911 -7.368 -4.508 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.659 -7.759 -2.858 1.00 0.28 H new ATOM 1042 N TYR A 65 -0.970 -9.810 -2.513 1.00 0.17 N ATOM 1043 CA TYR A 65 0.469 -9.944 -2.643 1.00 0.16 C ATOM 1044 C TYR A 65 1.142 -8.646 -2.254 1.00 0.16 C ATOM 1045 O TYR A 65 1.160 -7.686 -3.012 1.00 0.18 O ATOM 1046 CB TYR A 65 0.834 -10.355 -4.069 1.00 0.20 C ATOM 1047 CG TYR A 65 0.216 -11.675 -4.455 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.808 -12.877 -4.092 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -0.947 -11.716 -5.212 1.00 0.40 C ATOM 1050 CE1 TYR A 65 0.250 -14.086 -4.467 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.507 -12.917 -5.594 1.00 0.51 C ATOM 1052 CZ TYR A 65 -0.938 -14.116 -5.111 1.00 0.54 C ATOM 1053 OH TYR A 65 -1.465 -15.297 -5.609 1.00 0.66 O ATOM 0 H TYR A 65 -1.453 -9.560 -3.376 1.00 0.17 H new ATOM 0 HA TYR A 65 0.822 -10.726 -1.970 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.503 -9.583 -4.764 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.918 -10.422 -4.160 1.00 0.20 H new ATOM 0 HD1 TYR A 65 1.717 -12.868 -3.509 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.421 -10.792 -5.507 1.00 0.40 H new ATOM 0 HE1 TYR A 65 0.765 -15.009 -4.245 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.365 -12.940 -6.250 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.327 -15.115 -6.038 1.00 0.66 H new ATOM 1063 N LEU A 66 1.672 -8.616 -1.052 1.00 0.15 N ATOM 1064 CA LEU A 66 2.248 -7.404 -0.519 1.00 0.16 C ATOM 1065 C LEU A 66 3.755 -7.419 -0.678 1.00 0.16 C ATOM 1066 O LEU A 66 4.397 -8.467 -0.552 1.00 0.20 O ATOM 1067 CB LEU A 66 1.869 -7.248 0.950 1.00 0.18 C ATOM 1068 CG LEU A 66 0.370 -7.326 1.234 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.098 -7.155 2.717 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.386 -6.278 0.430 1.00 0.19 C ATOM 0 H LEU A 66 1.716 -9.419 -0.425 1.00 0.15 H new ATOM 0 HA LEU A 66 1.853 -6.554 -1.076 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.375 -8.023 1.526 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.243 -6.289 1.308 1.00 0.18 H new ATOM 0 HG LEU A 66 0.017 -8.311 0.930 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -0.975 -7.214 2.899 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.604 -7.944 3.273 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.469 -6.184 3.045 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.452 -6.351 0.648 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.028 -5.284 0.700 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.220 -6.447 -0.634 1.00 0.19 H new ATOM 1082 N SER A 67 4.309 -6.260 -0.952 1.00 0.17 N ATOM 1083 CA SER A 67 5.741 -6.108 -1.092 1.00 0.18 C ATOM 1084 C SER A 67 6.184 -4.997 -0.160 1.00 0.22 C ATOM 1085 O SER A 67 5.851 -3.829 -0.356 1.00 0.26 O ATOM 1086 CB SER A 67 6.105 -5.777 -2.541 1.00 0.22 C ATOM 1087 OG SER A 67 5.568 -6.744 -3.434 1.00 0.29 O ATOM 0 H SER A 67 3.782 -5.397 -1.084 1.00 0.17 H new ATOM 0 HA SER A 67 6.247 -7.038 -0.833 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.725 -4.788 -2.798 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.189 -5.740 -2.648 1.00 0.22 H new ATOM 0 HG SER A 67 6.064 -6.721 -4.279 1.00 0.29 H new ATOM 1093 N ASP A 68 6.905 -5.380 0.870 1.00 0.26 N ATOM 1094 CA ASP A 68 7.207 -4.479 1.962 1.00 0.34 C ATOM 1095 C ASP A 68 8.629 -3.962 1.855 1.00 0.29 C ATOM 1096 O ASP A 68 9.577 -4.738 1.741 1.00 0.34 O ATOM 1097 CB ASP A 68 7.003 -5.209 3.286 1.00 0.46 C ATOM 1098 CG ASP A 68 7.096 -4.299 4.491 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.081 -3.657 4.836 1.00 1.12 O ATOM 1100 OD2 ASP A 68 8.199 -4.198 5.068 1.00 2.01 O ATOM 0 H ASP A 68 7.296 -6.316 0.975 1.00 0.26 H new ATOM 0 HA ASP A 68 6.536 -3.622 1.914 1.00 0.34 H new ATOM 0 HB2 ASP A 68 6.026 -5.693 3.279 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.749 -5.998 3.377 1.00 0.46 H new ATOM 1105 N CYS A 69 8.763 -2.652 1.874 1.00 0.28 N ATOM 1106 CA CYS A 69 10.061 -2.016 1.820 1.00 0.26 C ATOM 1107 C CYS A 69 10.418 -1.465 3.189 1.00 0.30 C ATOM 1108 O CYS A 69 9.719 -0.603 3.716 1.00 0.35 O ATOM 1109 CB CYS A 69 10.043 -0.885 0.795 1.00 0.25 C ATOM 1110 SG CYS A 69 9.744 -1.427 -0.914 1.00 0.62 S ATOM 0 H CYS A 69 7.979 -2.002 1.927 1.00 0.28 H new ATOM 0 HA CYS A 69 10.808 -2.752 1.523 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.272 -0.168 1.076 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.997 -0.359 0.835 1.00 0.25 H new ATOM 1115 N ASN A 70 11.504 -1.952 3.757 1.00 0.35 N ATOM 1116 CA ASN A 70 11.933 -1.513 5.075 1.00 0.42 C ATOM 1117 C ASN A 70 13.414 -1.192 5.073 1.00 0.44 C ATOM 1118 O ASN A 70 14.210 -1.889 4.441 1.00 0.49 O ATOM 1119 CB ASN A 70 11.606 -2.572 6.138 1.00 0.51 C ATOM 1120 CG ASN A 70 12.103 -3.959 5.774 1.00 0.97 C ATOM 1121 OD1 ASN A 70 13.237 -4.330 6.078 1.00 1.93 O ATOM 1122 ND2 ASN A 70 11.245 -4.745 5.139 1.00 1.08 N ATOM 0 H ASN A 70 12.108 -2.653 3.327 1.00 0.35 H new ATOM 0 HA ASN A 70 11.386 -0.604 5.326 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.049 -2.272 7.088 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.527 -2.607 6.286 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.516 -5.695 4.885 1.00 1.08 H new ATOM 0 HD22 ASN A 70 10.314 -4.400 4.905 1.00 1.08 H new ATOM 1129 N VAL A 71 13.766 -0.109 5.753 1.00 0.47 N ATOM 1130 CA VAL A 71 15.143 0.352 5.820 1.00 0.51 C ATOM 1131 C VAL A 71 16.009 -0.644 6.593 1.00 0.56 C ATOM 1132 O VAL A 71 15.585 -1.194 7.615 1.00 0.60 O ATOM 1133 CB VAL A 71 15.218 1.760 6.461 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.792 1.731 7.922 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.609 2.357 6.314 1.00 0.82 C ATOM 0 H VAL A 71 13.107 0.472 6.271 1.00 0.47 H new ATOM 0 HA VAL A 71 15.530 0.421 4.803 1.00 0.51 H new ATOM 0 HB VAL A 71 14.518 2.400 5.924 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.857 2.736 8.340 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.765 1.373 7.994 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.449 1.063 8.479 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.631 3.345 6.773 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.336 1.711 6.807 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.858 2.443 5.256 1.00 0.82 H new ATOM 1145 N THR A 72 17.204 -0.899 6.087 1.00 0.58 N ATOM 1146 CA THR A 72 18.095 -1.865 6.703 1.00 0.64 C ATOM 1147 C THR A 72 19.011 -1.206 7.733 1.00 0.75 C ATOM 1148 O THR A 72 18.570 -0.829 8.824 1.00 0.93 O ATOM 1149 CB THR A 72 18.936 -2.606 5.639 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.600 -1.665 4.778 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.055 -3.521 4.803 1.00 0.78 C ATOM 0 H THR A 72 17.579 -0.450 5.251 1.00 0.58 H new ATOM 0 HA THR A 72 17.470 -2.593 7.220 1.00 0.64 H new ATOM 0 HB THR A 72 19.683 -3.207 6.158 1.00 0.71 H new ATOM 0 HG1 THR A 72 20.130 -2.149 4.111 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.665 -4.034 4.060 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.577 -4.256 5.450 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.290 -2.929 4.299 1.00 0.78 H new ATOM 1159 N SER A 73 20.276 -1.057 7.382 1.00 0.86 N ATOM 1160 CA SER A 73 21.253 -0.464 8.274 1.00 1.02 C ATOM 1161 C SER A 73 21.603 0.950 7.832 1.00 0.90 C ATOM 1162 O SER A 73 21.832 1.837 8.655 1.00 0.99 O ATOM 1163 CB SER A 73 22.504 -1.335 8.310 1.00 1.33 C ATOM 1164 OG SER A 73 22.973 -1.613 7.001 1.00 1.87 O ATOM 0 H SER A 73 20.652 -1.342 6.477 1.00 0.86 H new ATOM 0 HA SER A 73 20.826 -0.406 9.275 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.285 -0.831 8.880 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.285 -2.269 8.827 1.00 1.33 H new ATOM 0 HG SER A 73 23.777 -2.171 7.053 1.00 1.87 H new ATOM 1170 N ARG A 74 21.634 1.154 6.525 1.00 0.81 N ATOM 1171 CA ARG A 74 21.978 2.447 5.963 1.00 0.76 C ATOM 1172 C ARG A 74 20.725 3.235 5.619 1.00 0.68 C ATOM 1173 O ARG A 74 19.692 2.663 5.267 1.00 0.63 O ATOM 1174 CB ARG A 74 22.869 2.266 4.736 1.00 0.88 C ATOM 1175 CG ARG A 74 24.279 1.833 5.095 1.00 1.40 C ATOM 1176 CD ARG A 74 25.091 1.464 3.864 1.00 1.55 C ATOM 1177 NE ARG A 74 25.310 2.608 2.977 1.00 2.35 N ATOM 1178 CZ ARG A 74 25.131 2.570 1.655 1.00 2.74 C ATOM 1179 NH1 ARG A 74 24.699 1.456 1.072 1.00 2.41 N ATOM 1180 NH2 ARG A 74 25.393 3.641 0.920 1.00 3.76 N ATOM 0 H ARG A 74 21.424 0.436 5.832 1.00 0.81 H new ATOM 0 HA ARG A 74 22.533 3.017 6.709 1.00 0.76 H new ATOM 0 HB2 ARG A 74 22.423 1.524 4.074 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.911 3.203 4.181 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.780 2.638 5.632 1.00 1.40 H new ATOM 0 HG3 ARG A 74 24.235 0.978 5.770 1.00 1.40 H new ATOM 0 HD2 ARG A 74 26.054 1.059 4.175 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.576 0.675 3.315 1.00 1.55 H new ATOM 0 HE ARG A 74 25.618 3.486 3.394 1.00 2.35 H new ATOM 0 HH11 ARG A 74 24.504 0.628 1.635 1.00 2.41 H new ATOM 0 HH12 ARG A 74 24.563 1.429 0.061 1.00 2.41 H new ATOM 0 HH21 ARG A 74 25.731 4.494 1.365 1.00 3.76 H new ATOM 0 HH22 ARG A 74 25.256 3.612 -0.090 1.00 3.76 H new ATOM 1194 N PRO A 75 20.807 4.564 5.713 1.00 0.74 N ATOM 1195 CA PRO A 75 19.654 5.440 5.522 1.00 0.74 C ATOM 1196 C PRO A 75 19.178 5.445 4.075 1.00 0.65 C ATOM 1197 O PRO A 75 19.982 5.587 3.150 1.00 0.70 O ATOM 1198 CB PRO A 75 20.167 6.820 5.938 1.00 0.92 C ATOM 1199 CG PRO A 75 21.650 6.755 5.799 1.00 1.05 C ATOM 1200 CD PRO A 75 22.046 5.315 5.983 1.00 0.92 C ATOM 0 HA PRO A 75 18.791 5.115 6.103 1.00 0.74 H new ATOM 0 HB2 PRO A 75 19.748 7.601 5.304 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.879 7.053 6.963 1.00 0.92 H new ATOM 0 HG2 PRO A 75 21.962 7.119 4.820 1.00 1.05 H new ATOM 0 HG3 PRO A 75 22.135 7.387 6.543 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.843 5.030 5.296 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.413 5.128 6.992 1.00 0.92 H new ATOM 1208 N CYS A 76 17.869 5.262 3.894 1.00 0.57 N ATOM 1209 CA CYS A 76 17.247 5.210 2.572 1.00 0.52 C ATOM 1210 C CYS A 76 17.692 3.960 1.802 1.00 0.51 C ATOM 1211 O CYS A 76 17.496 3.855 0.594 1.00 0.55 O ATOM 1212 CB CYS A 76 17.556 6.489 1.779 1.00 0.58 C ATOM 1213 SG CYS A 76 16.553 6.711 0.270 1.00 1.55 S ATOM 0 H CYS A 76 17.209 5.145 4.663 1.00 0.57 H new ATOM 0 HA CYS A 76 16.167 5.147 2.706 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.404 7.350 2.430 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.610 6.482 1.501 1.00 0.58 H new ATOM 1218 N LYS A 77 18.282 3.007 2.513 1.00 0.50 N ATOM 1219 CA LYS A 77 18.639 1.720 1.930 1.00 0.50 C ATOM 1220 C LYS A 77 17.698 0.653 2.463 1.00 0.47 C ATOM 1221 O LYS A 77 17.588 0.463 3.674 1.00 0.51 O ATOM 1222 CB LYS A 77 20.093 1.373 2.252 1.00 0.60 C ATOM 1223 CG LYS A 77 21.106 2.204 1.477 1.00 1.30 C ATOM 1224 CD LYS A 77 21.257 1.706 0.048 1.00 1.57 C ATOM 1225 CE LYS A 77 20.991 2.801 -0.975 1.00 2.24 C ATOM 1226 NZ LYS A 77 19.553 3.174 -1.028 1.00 2.60 N ATOM 0 H LYS A 77 18.524 3.102 3.499 1.00 0.50 H new ATOM 0 HA LYS A 77 18.541 1.772 0.846 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.263 1.512 3.320 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.262 0.318 2.037 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.792 3.248 1.469 1.00 1.30 H new ATOM 0 HG3 LYS A 77 22.072 2.166 1.981 1.00 1.30 H new ATOM 0 HD2 LYS A 77 22.265 1.316 -0.094 1.00 1.57 H new ATOM 0 HD3 LYS A 77 20.568 0.878 -0.121 1.00 1.57 H new ATOM 0 HE2 LYS A 77 21.585 3.681 -0.728 1.00 2.24 H new ATOM 0 HE3 LYS A 77 21.315 2.464 -1.960 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 19.424 3.968 -1.687 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 18.995 2.359 -1.355 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 19.232 3.456 -0.080 1.00 2.60 H new ATOM 1240 N TYR A 78 17.009 -0.034 1.565 1.00 0.45 N ATOM 1241 CA TYR A 78 15.920 -0.909 1.971 1.00 0.47 C ATOM 1242 C TYR A 78 16.173 -2.362 1.615 1.00 0.52 C ATOM 1243 O TYR A 78 17.100 -2.692 0.872 1.00 0.59 O ATOM 1244 CB TYR A 78 14.618 -0.458 1.315 1.00 0.48 C ATOM 1245 CG TYR A 78 14.237 0.955 1.654 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.449 1.236 2.762 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.658 2.007 0.860 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.100 2.532 3.070 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.313 3.304 1.161 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.536 3.555 2.292 1.00 1.17 C ATOM 1251 OH TYR A 78 13.196 4.848 2.571 1.00 1.44 O ATOM 0 H TYR A 78 17.182 -0.004 0.560 1.00 0.45 H new ATOM 0 HA TYR A 78 15.848 -0.839 3.056 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.714 -0.551 0.233 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.814 -1.127 1.623 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.105 0.428 3.390 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.267 1.807 -0.009 1.00 0.74 H new ATOM 0 HE1 TYR A 78 12.479 2.734 3.930 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.639 4.117 0.530 1.00 0.99 H new ATOM 0 HH TYR A 78 12.960 4.927 3.519 1.00 1.44 H new ATOM 1261 N LYS A 79 15.343 -3.221 2.178 1.00 0.53 N ATOM 1262 CA LYS A 79 15.297 -4.620 1.809 1.00 0.58 C ATOM 1263 C LYS A 79 13.874 -4.976 1.406 1.00 0.46 C ATOM 1264 O LYS A 79 12.931 -4.707 2.152 1.00 0.47 O ATOM 1265 CB LYS A 79 15.755 -5.500 2.973 1.00 0.78 C ATOM 1266 CG LYS A 79 15.709 -6.985 2.669 1.00 1.39 C ATOM 1267 CD LYS A 79 16.285 -7.812 3.804 1.00 2.02 C ATOM 1268 CE LYS A 79 15.548 -7.565 5.109 1.00 2.63 C ATOM 1269 NZ LYS A 79 16.025 -8.467 6.188 1.00 3.52 N ATOM 0 H LYS A 79 14.679 -2.964 2.908 1.00 0.53 H new ATOM 0 HA LYS A 79 15.971 -4.795 0.971 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.774 -5.225 3.246 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.127 -5.296 3.840 1.00 0.78 H new ATOM 0 HG2 LYS A 79 14.678 -7.287 2.487 1.00 1.39 H new ATOM 0 HG3 LYS A 79 16.266 -7.186 1.754 1.00 1.39 H new ATOM 0 HD2 LYS A 79 16.228 -8.870 3.549 1.00 2.02 H new ATOM 0 HD3 LYS A 79 17.340 -7.571 3.931 1.00 2.02 H new ATOM 0 HE2 LYS A 79 15.686 -6.528 5.414 1.00 2.63 H new ATOM 0 HE3 LYS A 79 14.479 -7.713 4.957 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 15.499 -8.269 7.063 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 15.870 -9.456 5.907 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 17.040 -8.308 6.350 1.00 3.52 H new ATOM 1283 N LEU A 80 13.720 -5.557 0.226 1.00 0.45 N ATOM 1284 CA LEU A 80 12.401 -5.907 -0.282 1.00 0.41 C ATOM 1285 C LEU A 80 11.918 -7.191 0.380 1.00 0.42 C ATOM 1286 O LEU A 80 12.685 -8.139 0.572 1.00 0.49 O ATOM 1287 CB LEU A 80 12.444 -6.049 -1.810 1.00 0.50 C ATOM 1288 CG LEU A 80 11.090 -6.086 -2.540 1.00 0.58 C ATOM 1289 CD1 LEU A 80 10.489 -7.479 -2.546 1.00 1.34 C ATOM 1290 CD2 LEU A 80 10.112 -5.098 -1.934 1.00 0.74 C ATOM 0 H LEU A 80 14.491 -5.796 -0.398 1.00 0.45 H new ATOM 0 HA LEU A 80 11.696 -5.112 -0.040 1.00 0.41 H new ATOM 0 HB2 LEU A 80 13.025 -5.219 -2.212 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.986 -6.964 -2.051 1.00 0.50 H new ATOM 0 HG LEU A 80 11.281 -5.798 -3.574 1.00 0.58 H new ATOM 0 HD11 LEU A 80 9.534 -7.461 -3.071 1.00 1.34 H new ATOM 0 HD12 LEU A 80 11.168 -8.166 -3.051 1.00 1.34 H new ATOM 0 HD13 LEU A 80 10.333 -7.812 -1.520 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.165 -5.148 -2.471 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.948 -5.345 -0.885 1.00 0.74 H new ATOM 0 HD23 LEU A 80 10.520 -4.090 -2.009 1.00 0.74 H new ATOM 1302 N LYS A 81 10.643 -7.214 0.719 1.00 0.40 N ATOM 1303 CA LYS A 81 10.061 -8.321 1.463 1.00 0.44 C ATOM 1304 C LYS A 81 8.757 -8.756 0.806 1.00 0.38 C ATOM 1305 O LYS A 81 7.830 -7.961 0.653 1.00 0.36 O ATOM 1306 CB LYS A 81 9.823 -7.908 2.921 1.00 0.49 C ATOM 1307 CG LYS A 81 9.406 -9.055 3.830 1.00 0.60 C ATOM 1308 CD LYS A 81 9.177 -8.580 5.258 1.00 0.71 C ATOM 1309 CE LYS A 81 8.016 -7.602 5.337 1.00 1.18 C ATOM 1310 NZ LYS A 81 7.828 -7.049 6.705 1.00 1.87 N ATOM 0 H LYS A 81 9.982 -6.472 0.489 1.00 0.40 H new ATOM 0 HA LYS A 81 10.753 -9.163 1.454 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.735 -7.460 3.314 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.052 -7.138 2.948 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.493 -9.511 3.446 1.00 0.60 H new ATOM 0 HG3 LYS A 81 10.176 -9.826 3.821 1.00 0.60 H new ATOM 0 HD2 LYS A 81 8.977 -9.437 5.901 1.00 0.71 H new ATOM 0 HD3 LYS A 81 10.082 -8.104 5.634 1.00 0.71 H new ATOM 0 HE2 LYS A 81 8.187 -6.783 4.638 1.00 1.18 H new ATOM 0 HE3 LYS A 81 7.101 -8.104 5.023 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 7.025 -6.388 6.705 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 7.638 -7.825 7.370 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 8.690 -6.546 6.998 1.00 1.87 H new ATOM 1324 N LYS A 82 8.695 -10.017 0.415 1.00 0.40 N ATOM 1325 CA LYS A 82 7.572 -10.530 -0.351 1.00 0.37 C ATOM 1326 C LYS A 82 6.666 -11.374 0.528 1.00 0.36 C ATOM 1327 O LYS A 82 7.094 -12.381 1.093 1.00 0.46 O ATOM 1328 CB LYS A 82 8.102 -11.364 -1.510 1.00 0.47 C ATOM 1329 CG LYS A 82 9.174 -10.642 -2.299 1.00 0.54 C ATOM 1330 CD LYS A 82 10.014 -11.613 -3.102 1.00 0.76 C ATOM 1331 CE LYS A 82 11.223 -10.927 -3.713 1.00 0.90 C ATOM 1332 NZ LYS A 82 12.140 -11.895 -4.371 1.00 1.10 N ATOM 0 H LYS A 82 9.416 -10.710 0.617 1.00 0.40 H new ATOM 0 HA LYS A 82 6.988 -9.694 -0.736 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.507 -12.300 -1.125 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.278 -11.622 -2.175 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.710 -9.918 -2.969 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.814 -10.081 -1.618 1.00 0.54 H new ATOM 0 HD2 LYS A 82 10.343 -12.429 -2.459 1.00 0.76 H new ATOM 0 HD3 LYS A 82 9.407 -12.055 -3.892 1.00 0.76 H new ATOM 0 HE2 LYS A 82 10.890 -10.189 -4.443 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.764 -10.386 -2.936 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 12.952 -11.385 -4.775 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 12.478 -12.584 -3.670 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 11.632 -12.394 -5.130 1.00 1.10 H new ATOM 1346 N SER A 83 5.419 -10.960 0.644 1.00 0.31 N ATOM 1347 CA SER A 83 4.461 -11.667 1.476 1.00 0.36 C ATOM 1348 C SER A 83 3.086 -11.669 0.830 1.00 0.31 C ATOM 1349 O SER A 83 2.843 -10.944 -0.138 1.00 0.50 O ATOM 1350 CB SER A 83 4.396 -11.013 2.859 1.00 0.46 C ATOM 1351 OG SER A 83 4.269 -9.603 2.751 1.00 1.12 O ATOM 0 H SER A 83 5.044 -10.137 0.173 1.00 0.31 H new ATOM 0 HA SER A 83 4.787 -12.701 1.583 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.550 -11.416 3.416 1.00 0.46 H new ATOM 0 HB3 SER A 83 5.296 -11.258 3.424 1.00 0.46 H new ATOM 0 HG SER A 83 4.228 -9.209 3.647 1.00 1.12 H new ATOM 1357 N THR A 84 2.209 -12.507 1.345 1.00 0.25 N ATOM 1358 CA THR A 84 0.819 -12.513 0.943 1.00 0.23 C ATOM 1359 C THR A 84 -0.053 -12.468 2.191 1.00 0.22 C ATOM 1360 O THR A 84 -0.059 -13.403 2.991 1.00 0.29 O ATOM 1361 CB THR A 84 0.491 -13.763 0.103 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.490 -13.936 -0.913 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.874 -13.636 -0.554 1.00 0.27 C ATOM 0 H THR A 84 2.441 -13.203 2.054 1.00 0.25 H new ATOM 0 HA THR A 84 0.622 -11.639 0.322 1.00 0.23 H new ATOM 0 HB THR A 84 0.479 -14.627 0.767 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.153 -13.589 -1.765 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.080 -14.531 -1.140 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.638 -13.522 0.215 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.883 -12.764 -1.208 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.766 -11.368 2.368 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.539 -11.145 3.582 1.00 0.18 C ATOM 1373 C ASN A 85 -2.706 -10.227 3.281 1.00 0.17 C ATOM 1374 O ASN A 85 -2.684 -9.481 2.300 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.673 -10.508 4.670 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.132 -10.844 6.078 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.297 -11.173 6.314 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.217 -10.747 7.031 1.00 0.37 N ATOM 0 H ASN A 85 -0.827 -10.613 1.685 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.901 -12.109 3.938 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.358 -10.838 4.543 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.679 -9.426 4.542 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.466 -10.948 8.000 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.737 -10.472 6.796 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.730 -10.300 4.107 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.847 -9.390 4.013 1.00 0.19 C ATOM 1387 C LYS A 86 -4.421 -8.027 4.531 1.00 0.18 C ATOM 1388 O LYS A 86 -3.318 -7.885 5.054 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.009 -9.937 4.835 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.262 -11.410 4.578 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.495 -11.899 5.296 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.708 -13.382 5.055 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.871 -13.912 5.810 1.00 1.17 N ATOM 0 H LYS A 86 -3.809 -10.988 4.856 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.167 -9.289 2.976 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.802 -9.787 5.895 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.911 -9.371 4.603 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.374 -11.578 3.507 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.398 -11.990 4.903 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.397 -11.710 6.365 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.366 -11.342 4.952 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -7.858 -13.557 3.990 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -6.810 -13.928 5.344 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.978 -14.928 5.615 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -8.718 -13.770 6.829 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -9.733 -13.410 5.516 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.267 -7.027 4.387 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.951 -5.710 4.914 1.00 0.18 C ATOM 1409 C PHE A 87 -6.211 -4.913 5.194 1.00 0.18 C ATOM 1410 O PHE A 87 -7.251 -5.125 4.569 1.00 0.19 O ATOM 1411 CB PHE A 87 -4.013 -4.946 3.968 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.512 -4.811 2.553 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.373 -3.783 2.203 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -4.133 -5.718 1.574 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.841 -3.661 0.909 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.600 -5.600 0.277 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.411 -4.555 -0.069 1.00 0.20 C ATOM 0 H PHE A 87 -6.169 -7.096 3.916 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.430 -5.849 5.861 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.844 -3.949 4.375 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.047 -5.452 3.951 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.682 -3.068 2.951 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.464 -6.527 1.828 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.538 -2.875 0.656 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -4.323 -6.335 -0.464 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.717 -4.423 -1.096 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.117 -4.029 6.168 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.230 -3.193 6.554 1.00 0.20 C ATOM 1429 C CYS A 88 -7.048 -1.800 5.974 1.00 0.20 C ATOM 1430 O CYS A 88 -6.010 -1.164 6.177 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.317 -3.113 8.075 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.772 -2.208 8.685 1.00 0.49 S ATOM 0 H CYS A 88 -5.268 -3.872 6.711 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.153 -3.625 6.168 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.334 -4.124 8.482 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.416 -2.631 8.456 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.038 -1.336 5.241 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.995 -0.005 4.666 1.00 0.22 C ATOM 1439 C VAL A 89 -9.126 0.845 5.219 1.00 0.24 C ATOM 1440 O VAL A 89 -10.236 0.354 5.431 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.069 -0.034 3.118 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.762 -0.550 2.531 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.244 -0.886 2.643 1.00 0.20 C ATOM 0 H VAL A 89 -8.886 -1.862 5.028 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.037 0.434 4.944 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.228 0.986 2.767 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.832 -0.564 1.443 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.944 0.104 2.834 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.573 -1.560 2.895 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.274 -0.890 1.553 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.124 -1.907 3.006 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.175 -0.470 3.030 1.00 0.20 H new ATOM 1453 N THR A 90 -8.835 2.106 5.492 1.00 0.26 N ATOM 1454 CA THR A 90 -9.861 3.026 5.934 1.00 0.28 C ATOM 1455 C THR A 90 -10.649 3.505 4.724 1.00 0.25 C ATOM 1456 O THR A 90 -10.143 4.292 3.915 1.00 0.25 O ATOM 1457 CB THR A 90 -9.262 4.245 6.663 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.380 3.812 7.707 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.360 5.122 7.255 1.00 0.40 C ATOM 0 H THR A 90 -7.902 2.511 5.415 1.00 0.26 H new ATOM 0 HA THR A 90 -10.509 2.501 6.636 1.00 0.28 H new ATOM 0 HB THR A 90 -8.703 4.832 5.934 1.00 0.33 H new ATOM 0 HG1 THR A 90 -8.907 3.528 8.483 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.910 5.975 7.764 1.00 0.40 H new ATOM 0 HG22 THR A 90 -11.011 5.478 6.457 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.945 4.541 7.968 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.868 3.014 4.592 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.705 3.366 3.462 1.00 0.22 C ATOM 1469 C CYS A 91 -13.553 4.587 3.769 1.00 0.25 C ATOM 1470 O CYS A 91 -14.237 4.636 4.789 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.597 2.187 3.096 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.668 0.682 2.678 1.00 0.20 S ATOM 0 H CYS A 91 -12.300 2.370 5.255 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.059 3.608 2.618 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.264 1.973 3.931 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.225 2.465 2.249 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.483 5.576 2.893 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.305 6.768 3.012 1.00 0.29 C ATOM 1479 C GLU A 92 -14.683 7.254 1.617 1.00 0.27 C ATOM 1480 O GLU A 92 -13.825 7.366 0.743 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.560 7.859 3.779 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.461 8.963 4.307 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.691 10.071 4.995 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -13.172 9.841 6.107 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -13.587 11.174 4.421 1.00 0.76 O ATOM 0 H GLU A 92 -12.860 5.576 2.086 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.211 6.529 3.568 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -13.030 7.404 4.616 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.807 8.299 3.126 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -15.034 9.384 3.481 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -15.178 8.536 5.008 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.971 7.512 1.413 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.499 7.921 0.107 1.00 0.31 C ATOM 1494 C ASN A 93 -16.230 6.848 -0.945 1.00 0.28 C ATOM 1495 O ASN A 93 -16.024 7.143 -2.124 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.916 9.271 -0.326 1.00 0.35 C ATOM 1497 CG ASN A 93 -16.424 10.419 0.526 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -17.464 11.003 0.236 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -15.690 10.762 1.574 1.00 0.65 N ATOM 0 H ASN A 93 -16.680 7.445 2.143 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.578 8.040 0.203 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.828 9.230 -0.266 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -16.171 9.456 -1.370 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -15.984 11.535 2.171 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -14.831 10.253 1.784 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.259 5.599 -0.485 1.00 0.26 N ATOM 1507 CA GLN A 94 -16.104 4.415 -1.326 1.00 0.25 C ATOM 1508 C GLN A 94 -14.696 4.298 -1.895 1.00 0.22 C ATOM 1509 O GLN A 94 -14.488 3.663 -2.925 1.00 0.26 O ATOM 1510 CB GLN A 94 -17.132 4.394 -2.460 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.568 4.555 -1.988 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.575 4.085 -3.016 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.686 3.685 -2.676 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -19.177 4.089 -4.270 1.00 0.48 N ATOM 0 H GLN A 94 -16.393 5.378 0.502 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.280 3.554 -0.682 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.899 5.193 -3.164 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -17.041 3.453 -3.003 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.708 3.993 -1.064 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.755 5.603 -1.755 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -18.246 4.430 -4.508 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.800 3.751 -5.004 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.728 4.887 -1.214 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.342 4.775 -1.634 1.00 0.19 C ATOM 1525 C ALA A 95 -11.409 4.701 -0.430 1.00 0.17 C ATOM 1526 O ALA A 95 -11.660 5.327 0.601 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.968 5.936 -2.544 1.00 0.21 C ATOM 0 H ALA A 95 -13.875 5.445 -0.373 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.229 3.848 -2.197 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.926 5.838 -2.850 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.608 5.927 -3.426 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -12.101 6.876 -2.008 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.348 3.891 -0.537 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.315 3.782 0.495 1.00 0.17 C ATOM 1535 C PRO A 96 -8.512 5.074 0.622 1.00 0.19 C ATOM 1536 O PRO A 96 -7.775 5.447 -0.287 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.419 2.635 0.002 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.220 1.936 -1.042 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.077 2.995 -1.664 1.00 0.17 C ATOM 0 HA PRO A 96 -9.738 3.599 1.483 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.483 3.015 -0.408 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.159 1.960 0.817 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.574 1.468 -1.784 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.829 1.145 -0.605 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.561 3.509 -2.475 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -10.994 2.580 -2.082 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.678 5.767 1.739 1.00 0.20 N ATOM 1548 CA VAL A 97 -8.009 7.047 1.941 1.00 0.24 C ATOM 1549 C VAL A 97 -6.922 6.951 3.008 1.00 0.27 C ATOM 1550 O VAL A 97 -6.057 7.819 3.107 1.00 0.35 O ATOM 1551 CB VAL A 97 -9.009 8.153 2.333 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -10.024 8.385 1.222 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.711 7.796 3.630 1.00 0.35 C ATOM 0 H VAL A 97 -9.267 5.468 2.517 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.547 7.308 0.989 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.453 9.079 2.482 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.719 9.170 1.522 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.505 8.688 0.313 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.576 7.464 1.035 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.414 8.587 3.893 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.251 6.858 3.505 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.973 7.687 4.425 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.980 5.901 3.814 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.977 5.672 4.848 1.00 0.35 C ATOM 1565 C HIS A 98 -5.630 4.193 4.910 1.00 0.31 C ATOM 1566 O HIS A 98 -6.465 3.343 4.600 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.471 6.136 6.225 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.605 7.623 6.395 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -5.549 8.449 6.713 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -7.692 8.425 6.327 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.982 9.688 6.833 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -7.281 9.706 6.606 1.00 0.82 N ATOM 0 H HIS A 98 -7.712 5.192 3.773 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.092 6.253 4.589 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.440 5.677 6.418 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.784 5.761 6.984 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -8.700 8.115 6.095 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -5.374 10.546 7.077 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -7.879 10.532 6.633 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.405 3.886 5.305 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.975 2.503 5.430 1.00 0.29 C ATOM 1583 C PHE A 99 -3.807 2.144 6.902 1.00 0.29 C ATOM 1584 O PHE A 99 -3.012 2.759 7.614 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.668 2.276 4.669 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.280 0.828 4.567 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.968 -0.026 3.720 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.228 0.321 5.314 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.615 -1.359 3.619 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.871 -1.010 5.217 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.566 -1.852 4.370 1.00 0.31 C ATOM 0 H PHE A 99 -3.692 4.575 5.544 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.737 1.857 4.995 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.764 2.690 3.665 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.867 2.825 5.165 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.790 0.354 3.132 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.682 0.974 5.979 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.159 -2.014 2.954 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.049 -1.393 5.803 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.290 -2.893 4.295 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.568 1.155 7.346 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.564 0.739 8.742 1.00 0.28 C ATOM 1603 C VAL A 100 -3.385 -0.191 9.035 1.00 0.28 C ATOM 1604 O VAL A 100 -2.513 0.125 9.853 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.890 0.030 9.093 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.888 -0.473 10.527 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -7.072 0.959 8.848 1.00 0.29 C ATOM 0 H VAL A 100 -5.203 0.620 6.753 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.460 1.632 9.358 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.989 -0.837 8.440 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.836 -0.967 10.741 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -5.071 -1.182 10.663 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.756 0.368 11.207 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.999 0.443 9.100 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.971 1.848 9.470 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.094 1.251 7.798 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.365 -1.331 8.361 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.303 -2.302 8.540 1.00 0.29 C ATOM 1619 C GLY A 101 -2.611 -3.569 7.793 1.00 0.25 C ATOM 1620 O GLY A 101 -3.644 -3.652 7.131 1.00 0.28 O ATOM 0 H GLY A 101 -4.076 -1.605 7.683 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.360 -1.886 8.187 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.178 -2.520 9.601 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.742 -4.561 7.885 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.973 -5.810 7.183 1.00 0.22 C ATOM 1626 C VAL A 102 -2.370 -6.906 8.165 1.00 0.24 C ATOM 1627 O VAL A 102 -2.080 -6.826 9.359 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.754 -6.258 6.335 1.00 0.24 C ATOM 1629 CG1 VAL A 102 -0.044 -5.061 5.719 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.215 -7.112 7.135 1.00 0.25 C ATOM 0 H VAL A 102 -0.881 -4.527 8.431 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.793 -5.634 6.487 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.139 -6.879 5.526 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.806 -5.406 5.130 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.736 -4.520 5.074 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.307 -4.399 6.511 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.053 -7.403 6.501 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.585 -6.541 7.987 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.297 -8.006 7.492 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.064 -7.904 7.657 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.522 -8.993 8.488 1.00 0.29 C ATOM 1642 C GLY A 103 -4.936 -8.778 8.984 1.00 0.28 C ATOM 1643 O GLY A 103 -5.834 -9.570 8.689 1.00 0.34 O ATOM 0 H GLY A 103 -3.322 -7.981 6.673 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.475 -9.924 7.923 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.852 -9.103 9.341 1.00 0.29 H new ATOM 1647 N SER A 104 -5.136 -7.704 9.740 1.00 0.33 N ATOM 1648 CA SER A 104 -6.440 -7.365 10.287 1.00 0.32 C ATOM 1649 C SER A 104 -6.518 -5.879 10.606 1.00 0.39 C ATOM 1650 O SER A 104 -5.547 -5.142 10.416 1.00 0.59 O ATOM 1651 CB SER A 104 -6.707 -8.180 11.549 1.00 0.45 C ATOM 1652 OG SER A 104 -6.778 -9.564 11.256 1.00 1.38 O ATOM 0 H SER A 104 -4.398 -7.046 9.989 1.00 0.33 H new ATOM 0 HA SER A 104 -7.198 -7.601 9.540 1.00 0.32 H new ATOM 0 HB2 SER A 104 -5.916 -7.999 12.277 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.641 -7.853 12.006 1.00 0.45 H new ATOM 0 HG SER A 104 -6.602 -9.706 10.302 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.676 -5.448 11.078 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.875 -4.065 11.486 1.00 0.53 C ATOM 1660 C CYS A 105 -7.491 -3.886 12.952 1.00 0.48 C ATOM 1661 O CYS A 105 -8.367 -4.057 13.826 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.337 -3.656 11.281 1.00 0.82 C ATOM 1663 SG CYS A 105 -9.892 -3.658 9.548 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.309 -3.595 13.225 1.00 1.20 O ATOM 0 H CYS A 105 -8.499 -6.040 11.189 1.00 0.39 H new ATOM 0 HA CYS A 105 -7.238 -3.429 10.871 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -9.973 -4.332 11.853 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.482 -2.657 11.693 1.00 0.82 H new