USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 526 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 NoAdj-H: A 51 HIS HE2 : A 51 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0671 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00116 USER MOD Single : A 8 SER OG : rot -29:sc= 0.661 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -70:sc= 0.0507 USER MOD Single : A 18 THR OG1 : rot 47:sc= 0.196 USER MOD Single : A 19 ASN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.248 (180deg=-1.01) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 156:sc= -0.126 (180deg=-0.98) USER MOD Single : A 38 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.2!) USER MOD Single : A 41 TYR OH : rot -76:sc= 1.21 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -50:sc= -0.114 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= -0.0754 (180deg=-0.413) USER MOD Single : A 55 ASN : amide:sc= 0.0566 X(o=0.057,f=-0.11) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.167 F(o=-0.87,f=-0.17) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -0:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.760 -23.362 13.086 1.00 0.00 N ATOM 2 CA GLY A 1 2.079 -22.706 11.985 1.00 0.00 C ATOM 3 C GLY A 1 2.154 -21.195 12.075 1.00 0.00 C ATOM 4 O GLY A 1 2.417 -20.642 13.143 1.00 0.00 O ATOM 0 H1 GLY A 1 3.670 -23.740 12.755 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.927 -22.676 13.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.171 -24.141 13.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.519 -23.033 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.034 -23.015 11.973 1.00 0.00 H new ATOM 8 N SER A 2 1.923 -20.524 10.951 1.00 0.00 N ATOM 9 CA SER A 2 1.971 -19.068 10.906 1.00 0.00 C ATOM 10 C SER A 2 0.736 -18.505 10.210 1.00 0.00 C ATOM 11 O SER A 2 0.597 -18.606 8.991 1.00 0.00 O ATOM 12 CB SER A 2 3.236 -18.600 10.184 1.00 0.00 C ATOM 13 OG SER A 2 4.392 -19.209 10.732 1.00 0.00 O ATOM 0 H SER A 2 1.701 -20.966 10.059 1.00 0.00 H new ATOM 0 HA SER A 2 1.989 -18.698 11.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.163 -18.840 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.322 -17.516 10.260 1.00 0.00 H new ATOM 0 HG SER A 2 5.186 -18.894 10.252 1.00 0.00 H new ATOM 19 N SER A 3 -0.158 -17.911 10.993 1.00 0.00 N ATOM 20 CA SER A 3 -1.384 -17.334 10.454 1.00 0.00 C ATOM 21 C SER A 3 -1.622 -15.937 11.019 1.00 0.00 C ATOM 22 O SER A 3 -0.965 -15.521 11.972 1.00 0.00 O ATOM 23 CB SER A 3 -2.579 -18.236 10.771 1.00 0.00 C ATOM 24 OG SER A 3 -2.617 -19.356 9.905 1.00 0.00 O ATOM 0 H SER A 3 -0.057 -17.816 12.004 1.00 0.00 H new ATOM 0 HA SER A 3 -1.274 -17.255 9.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.519 -18.574 11.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.504 -17.667 10.675 1.00 0.00 H new ATOM 0 HG SER A 3 -3.389 -19.917 10.129 1.00 0.00 H new ATOM 30 N GLY A 4 -2.569 -15.218 10.423 1.00 0.00 N ATOM 31 CA GLY A 4 -2.878 -13.875 10.879 1.00 0.00 C ATOM 32 C GLY A 4 -3.240 -12.945 9.739 1.00 0.00 C ATOM 33 O GLY A 4 -4.414 -12.799 9.397 1.00 0.00 O ATOM 0 H GLY A 4 -3.127 -15.542 9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.706 -13.916 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.020 -13.470 11.415 1.00 0.00 H new ATOM 37 N SER A 5 -2.231 -12.311 9.150 1.00 0.00 N ATOM 38 CA SER A 5 -2.450 -11.385 8.046 1.00 0.00 C ATOM 39 C SER A 5 -1.149 -11.118 7.294 1.00 0.00 C ATOM 40 O SER A 5 -0.080 -11.025 7.896 1.00 0.00 O ATOM 41 CB SER A 5 -3.032 -10.069 8.564 1.00 0.00 C ATOM 42 OG SER A 5 -3.852 -9.453 7.585 1.00 0.00 O ATOM 0 H SER A 5 -1.254 -12.422 9.419 1.00 0.00 H new ATOM 0 HA SER A 5 -3.160 -11.842 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.615 -10.256 9.466 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.222 -9.394 8.842 1.00 0.00 H new ATOM 0 HG SER A 5 -4.213 -8.615 7.941 1.00 0.00 H new ATOM 48 N SER A 6 -1.250 -10.997 5.975 1.00 0.00 N ATOM 49 CA SER A 6 -0.082 -10.744 5.139 1.00 0.00 C ATOM 50 C SER A 6 -0.450 -9.881 3.936 1.00 0.00 C ATOM 51 O SER A 6 -1.421 -10.157 3.233 1.00 0.00 O ATOM 52 CB SER A 6 0.527 -12.065 4.665 1.00 0.00 C ATOM 53 OG SER A 6 -0.246 -12.639 3.625 1.00 0.00 O ATOM 0 H SER A 6 -2.128 -11.070 5.462 1.00 0.00 H new ATOM 0 HA SER A 6 0.653 -10.206 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.545 -11.895 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.590 -12.761 5.502 1.00 0.00 H new ATOM 0 HG SER A 6 0.165 -13.481 3.339 1.00 0.00 H new ATOM 59 N GLY A 7 0.333 -8.831 3.707 1.00 0.00 N ATOM 60 CA GLY A 7 0.074 -7.942 2.590 1.00 0.00 C ATOM 61 C GLY A 7 -1.058 -6.974 2.870 1.00 0.00 C ATOM 62 O GLY A 7 -2.046 -7.332 3.511 1.00 0.00 O ATOM 0 H GLY A 7 1.142 -8.580 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.979 -7.381 2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.168 -8.534 1.707 1.00 0.00 H new ATOM 66 N SER A 8 -0.913 -5.742 2.390 1.00 0.00 N ATOM 67 CA SER A 8 -1.930 -4.717 2.598 1.00 0.00 C ATOM 68 C SER A 8 -1.709 -3.536 1.658 1.00 0.00 C ATOM 69 O SER A 8 -0.626 -3.367 1.097 1.00 0.00 O ATOM 70 CB SER A 8 -1.912 -4.239 4.051 1.00 0.00 C ATOM 71 OG SER A 8 -2.062 -5.325 4.948 1.00 0.00 O ATOM 0 H SER A 8 -0.102 -5.430 1.855 1.00 0.00 H new ATOM 0 HA SER A 8 -2.904 -5.155 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.974 -3.722 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.715 -3.519 4.210 1.00 0.00 H new ATOM 0 HG SER A 8 -2.585 -6.034 4.519 1.00 0.00 H new ATOM 77 N LYS A 9 -2.744 -2.720 1.491 1.00 0.00 N ATOM 78 CA LYS A 9 -2.666 -1.552 0.621 1.00 0.00 C ATOM 79 C LYS A 9 -2.051 -0.366 1.357 1.00 0.00 C ATOM 80 O LYS A 9 -1.263 0.390 0.788 1.00 0.00 O ATOM 81 CB LYS A 9 -4.058 -1.180 0.106 1.00 0.00 C ATOM 82 CG LYS A 9 -4.514 -2.021 -1.074 1.00 0.00 C ATOM 83 CD LYS A 9 -4.995 -3.392 -0.629 1.00 0.00 C ATOM 84 CE LYS A 9 -6.363 -3.315 0.031 1.00 0.00 C ATOM 85 NZ LYS A 9 -6.748 -4.608 0.661 1.00 0.00 N ATOM 0 H LYS A 9 -3.648 -2.846 1.947 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.027 -1.803 -0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.777 -1.288 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.060 -0.129 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.317 -1.506 -1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.692 -2.135 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.042 -4.059 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.277 -3.822 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.358 -2.530 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.110 -3.037 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.686 -4.515 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.778 -5.352 -0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.049 -4.861 1.388 1.00 0.00 H new ATOM 99 N VAL A 10 -2.416 -0.208 2.626 1.00 0.00 N ATOM 100 CA VAL A 10 -1.898 0.885 3.440 1.00 0.00 C ATOM 101 C VAL A 10 -0.393 1.044 3.254 1.00 0.00 C ATOM 102 O VAL A 10 0.128 2.159 3.254 1.00 0.00 O ATOM 103 CB VAL A 10 -2.199 0.663 4.934 1.00 0.00 C ATOM 104 CG1 VAL A 10 -1.568 -0.633 5.419 1.00 0.00 C ATOM 105 CG2 VAL A 10 -1.708 1.845 5.757 1.00 0.00 C ATOM 0 H VAL A 10 -3.068 -0.823 3.112 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.400 1.793 3.107 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.279 0.583 5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.791 -0.773 6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.972 -1.470 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.488 -0.586 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.929 1.672 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.632 1.958 5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.211 2.753 5.426 1.00 0.00 H new ATOM 115 N TRP A 11 0.299 -0.078 3.094 1.00 0.00 N ATOM 116 CA TRP A 11 1.745 -0.063 2.906 1.00 0.00 C ATOM 117 C TRP A 11 2.129 0.791 1.703 1.00 0.00 C ATOM 118 O TRP A 11 3.069 1.584 1.765 1.00 0.00 O ATOM 119 CB TRP A 11 2.271 -1.488 2.725 1.00 0.00 C ATOM 120 CG TRP A 11 1.949 -2.391 3.876 1.00 0.00 C ATOM 121 CD1 TRP A 11 1.351 -3.617 3.814 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.206 -2.138 5.262 1.00 0.00 C ATOM 123 NE1 TRP A 11 1.220 -4.142 5.077 1.00 0.00 N ATOM 124 CE2 TRP A 11 1.738 -3.254 5.983 1.00 0.00 C ATOM 125 CE3 TRP A 11 2.787 -1.079 5.964 1.00 0.00 C ATOM 126 CZ2 TRP A 11 1.833 -3.337 7.370 1.00 0.00 C ATOM 127 CZ3 TRP A 11 2.881 -1.163 7.340 1.00 0.00 C ATOM 128 CH2 TRP A 11 2.407 -2.286 8.031 1.00 0.00 C ATOM 0 H TRP A 11 -0.117 -1.009 3.091 1.00 0.00 H new ATOM 0 HA TRP A 11 2.198 0.373 3.796 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.849 -1.910 1.813 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.352 -1.454 2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.028 -4.103 2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.805 -5.046 5.303 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.156 -0.210 5.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.466 -4.201 7.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.327 -0.349 7.892 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.497 -2.322 9.107 1.00 0.00 H new ATOM 139 N LYS A 12 1.396 0.625 0.607 1.00 0.00 N ATOM 140 CA LYS A 12 1.658 1.381 -0.612 1.00 0.00 C ATOM 141 C LYS A 12 2.146 2.789 -0.284 1.00 0.00 C ATOM 142 O LYS A 12 3.038 3.318 -0.948 1.00 0.00 O ATOM 143 CB LYS A 12 0.395 1.456 -1.472 1.00 0.00 C ATOM 144 CG LYS A 12 0.678 1.543 -2.962 1.00 0.00 C ATOM 145 CD LYS A 12 0.990 2.968 -3.387 1.00 0.00 C ATOM 146 CE LYS A 12 1.598 3.014 -4.781 1.00 0.00 C ATOM 147 NZ LYS A 12 3.068 2.777 -4.753 1.00 0.00 N ATOM 0 H LYS A 12 0.615 -0.027 0.538 1.00 0.00 H new ATOM 0 HA LYS A 12 2.439 0.864 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.219 0.577 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.189 2.326 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.518 0.895 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.184 1.176 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.077 3.563 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.679 3.419 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.121 2.263 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.395 3.984 -5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.444 2.816 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.527 3.509 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.261 1.840 -4.344 1.00 0.00 H new ATOM 161 N TYR A 13 1.558 3.389 0.745 1.00 0.00 N ATOM 162 CA TYR A 13 1.933 4.736 1.160 1.00 0.00 C ATOM 163 C TYR A 13 3.161 4.705 2.064 1.00 0.00 C ATOM 164 O TYR A 13 4.055 5.543 1.945 1.00 0.00 O ATOM 165 CB TYR A 13 0.768 5.410 1.887 1.00 0.00 C ATOM 166 CG TYR A 13 -0.489 5.510 1.053 1.00 0.00 C ATOM 167 CD1 TYR A 13 -0.696 6.586 0.198 1.00 0.00 C ATOM 168 CD2 TYR A 13 -1.472 4.530 1.121 1.00 0.00 C ATOM 169 CE1 TYR A 13 -1.843 6.682 -0.565 1.00 0.00 C ATOM 170 CE2 TYR A 13 -2.621 4.617 0.360 1.00 0.00 C ATOM 171 CZ TYR A 13 -2.803 5.695 -0.481 1.00 0.00 C ATOM 172 OH TYR A 13 -3.947 5.786 -1.239 1.00 0.00 O ATOM 0 H TYR A 13 0.820 2.964 1.307 1.00 0.00 H new ATOM 0 HA TYR A 13 2.177 5.310 0.266 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.547 4.852 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.072 6.411 2.193 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.053 7.361 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.335 3.686 1.780 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.988 7.525 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.373 3.845 0.423 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.506 6.516 -0.901 1.00 0.00 H new ATOM 182 N PHE A 14 3.198 3.732 2.968 1.00 0.00 N ATOM 183 CA PHE A 14 4.317 3.590 3.894 1.00 0.00 C ATOM 184 C PHE A 14 5.194 2.403 3.509 1.00 0.00 C ATOM 185 O PHE A 14 4.785 1.249 3.634 1.00 0.00 O ATOM 186 CB PHE A 14 3.803 3.418 5.325 1.00 0.00 C ATOM 187 CG PHE A 14 2.718 4.389 5.693 1.00 0.00 C ATOM 188 CD1 PHE A 14 1.386 4.076 5.472 1.00 0.00 C ATOM 189 CD2 PHE A 14 3.030 5.614 6.260 1.00 0.00 C ATOM 190 CE1 PHE A 14 0.385 4.967 5.811 1.00 0.00 C ATOM 191 CE2 PHE A 14 2.033 6.508 6.601 1.00 0.00 C ATOM 192 CZ PHE A 14 0.709 6.185 6.375 1.00 0.00 C ATOM 0 H PHE A 14 2.467 3.030 3.080 1.00 0.00 H new ATOM 0 HA PHE A 14 4.920 4.496 3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.427 2.402 5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.636 3.536 6.018 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.127 3.125 5.030 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.063 5.873 6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.649 4.711 5.635 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.289 7.459 7.044 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.071 6.884 6.639 1.00 0.00 H new ATOM 202 N GLY A 15 6.403 2.695 3.041 1.00 0.00 N ATOM 203 CA GLY A 15 7.320 1.641 2.644 1.00 0.00 C ATOM 204 C GLY A 15 7.991 0.980 3.832 1.00 0.00 C ATOM 205 O GLY A 15 8.045 1.551 4.921 1.00 0.00 O ATOM 0 H GLY A 15 6.765 3.642 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.778 0.888 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.082 2.056 1.984 1.00 0.00 H new ATOM 209 N PHE A 16 8.502 -0.229 3.622 1.00 0.00 N ATOM 210 CA PHE A 16 9.171 -0.971 4.685 1.00 0.00 C ATOM 211 C PHE A 16 10.608 -1.304 4.295 1.00 0.00 C ATOM 212 O PHE A 16 10.856 -1.888 3.239 1.00 0.00 O ATOM 213 CB PHE A 16 8.404 -2.257 4.998 1.00 0.00 C ATOM 214 CG PHE A 16 8.650 -2.779 6.385 1.00 0.00 C ATOM 215 CD1 PHE A 16 8.596 -1.930 7.479 1.00 0.00 C ATOM 216 CD2 PHE A 16 8.935 -4.119 6.595 1.00 0.00 C ATOM 217 CE1 PHE A 16 8.824 -2.408 8.756 1.00 0.00 C ATOM 218 CE2 PHE A 16 9.163 -4.603 7.870 1.00 0.00 C ATOM 219 CZ PHE A 16 9.106 -3.746 8.951 1.00 0.00 C ATOM 0 H PHE A 16 8.466 -0.715 2.726 1.00 0.00 H new ATOM 0 HA PHE A 16 9.192 -0.343 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.337 -2.074 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.684 -3.023 4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.373 -0.883 7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.980 -4.793 5.753 1.00 0.00 H new ATOM 0 HE1 PHE A 16 8.782 -1.736 9.600 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.385 -5.649 8.020 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.282 -4.122 9.948 1.00 0.00 H new ATOM 229 N ASP A 17 11.550 -0.929 5.153 1.00 0.00 N ATOM 230 CA ASP A 17 12.962 -1.188 4.899 1.00 0.00 C ATOM 231 C ASP A 17 13.242 -2.687 4.862 1.00 0.00 C ATOM 232 O ASP A 17 13.463 -3.315 5.899 1.00 0.00 O ATOM 233 CB ASP A 17 13.825 -0.522 5.972 1.00 0.00 C ATOM 234 CG ASP A 17 13.579 0.971 6.069 1.00 0.00 C ATOM 235 OD1 ASP A 17 13.466 1.623 5.010 1.00 0.00 O ATOM 236 OD2 ASP A 17 13.501 1.488 7.203 1.00 0.00 O ATOM 0 H ASP A 17 11.361 -0.445 6.031 1.00 0.00 H new ATOM 0 HA ASP A 17 13.214 -0.766 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.620 -0.984 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.877 -0.700 5.750 1.00 0.00 H new ATOM 241 N THR A 18 13.230 -3.257 3.661 1.00 0.00 N ATOM 242 CA THR A 18 13.479 -4.682 3.489 1.00 0.00 C ATOM 243 C THR A 18 14.695 -4.924 2.601 1.00 0.00 C ATOM 244 O THR A 18 14.629 -4.760 1.384 1.00 0.00 O ATOM 245 CB THR A 18 12.260 -5.396 2.876 1.00 0.00 C ATOM 246 OG1 THR A 18 11.762 -4.646 1.762 1.00 0.00 O ATOM 247 CG2 THR A 18 11.158 -5.570 3.910 1.00 0.00 C ATOM 0 H THR A 18 13.050 -2.753 2.793 1.00 0.00 H new ATOM 0 HA THR A 18 13.669 -5.091 4.481 1.00 0.00 H new ATOM 0 HB THR A 18 12.577 -6.382 2.537 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.509 -4.379 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.308 -6.077 3.454 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.531 -6.166 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.844 -4.592 4.276 1.00 0.00 H new ATOM 255 N ASN A 19 15.804 -5.316 3.219 1.00 0.00 N ATOM 256 CA ASN A 19 17.036 -5.581 2.484 1.00 0.00 C ATOM 257 C ASN A 19 16.785 -6.553 1.335 1.00 0.00 C ATOM 258 O ASN A 19 15.944 -7.445 1.436 1.00 0.00 O ATOM 259 CB ASN A 19 18.103 -6.147 3.423 1.00 0.00 C ATOM 260 CG ASN A 19 18.765 -5.072 4.262 1.00 0.00 C ATOM 261 OD1 ASN A 19 19.915 -4.702 4.024 1.00 0.00 O ATOM 262 ND2 ASN A 19 18.039 -4.564 5.252 1.00 0.00 N ATOM 0 H ASN A 19 15.875 -5.457 4.227 1.00 0.00 H new ATOM 0 HA ASN A 19 17.392 -4.639 2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.648 -6.888 4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.862 -6.664 2.836 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.431 -3.837 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.090 -4.901 5.413 1.00 0.00 H new ATOM 269 N ALA A 20 17.522 -6.373 0.244 1.00 0.00 N ATOM 270 CA ALA A 20 17.382 -7.235 -0.923 1.00 0.00 C ATOM 271 C ALA A 20 17.533 -8.704 -0.542 1.00 0.00 C ATOM 272 O ALA A 20 16.706 -9.538 -0.909 1.00 0.00 O ATOM 273 CB ALA A 20 18.403 -6.856 -1.985 1.00 0.00 C ATOM 0 H ALA A 20 18.222 -5.638 0.144 1.00 0.00 H new ATOM 0 HA ALA A 20 16.381 -7.093 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 20 18.287 -7.508 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 20 18.246 -5.820 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 20 19.409 -6.968 -1.579 1.00 0.00 H new ATOM 279 N GLU A 21 18.595 -9.013 0.196 1.00 0.00 N ATOM 280 CA GLU A 21 18.854 -10.382 0.625 1.00 0.00 C ATOM 281 C GLU A 21 18.200 -10.662 1.975 1.00 0.00 C ATOM 282 O GLU A 21 18.449 -9.961 2.955 1.00 0.00 O ATOM 283 CB GLU A 21 20.360 -10.636 0.713 1.00 0.00 C ATOM 284 CG GLU A 21 21.067 -9.758 1.731 1.00 0.00 C ATOM 285 CD GLU A 21 21.016 -10.334 3.133 1.00 0.00 C ATOM 286 OE1 GLU A 21 21.384 -11.515 3.304 1.00 0.00 O ATOM 287 OE2 GLU A 21 20.609 -9.603 4.060 1.00 0.00 O ATOM 0 H GLU A 21 19.289 -8.334 0.509 1.00 0.00 H new ATOM 0 HA GLU A 21 18.422 -11.055 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.529 -11.682 0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.806 -10.471 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.107 -9.628 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.610 -8.769 1.732 1.00 0.00 H new ATOM 294 N GLY A 22 17.362 -11.694 2.018 1.00 0.00 N ATOM 295 CA GLY A 22 16.685 -12.048 3.252 1.00 0.00 C ATOM 296 C GLY A 22 15.596 -11.060 3.620 1.00 0.00 C ATOM 297 O GLY A 22 15.109 -10.316 2.768 1.00 0.00 O ATOM 0 H GLY A 22 17.140 -12.291 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.250 -13.043 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.414 -12.099 4.061 1.00 0.00 H new ATOM 301 N CYS A 23 15.213 -11.053 4.892 1.00 0.00 N ATOM 302 CA CYS A 23 14.172 -10.150 5.371 1.00 0.00 C ATOM 303 C CYS A 23 14.672 -9.320 6.549 1.00 0.00 C ATOM 304 O CYS A 23 15.678 -9.657 7.175 1.00 0.00 O ATOM 305 CB CYS A 23 12.929 -10.942 5.781 1.00 0.00 C ATOM 306 SG CYS A 23 11.959 -11.564 4.388 1.00 0.00 S ATOM 0 H CYS A 23 15.607 -11.662 5.610 1.00 0.00 H new ATOM 0 HA CYS A 23 13.911 -9.473 4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 23 13.236 -11.784 6.401 1.00 0.00 H new ATOM 0 HB3 CYS A 23 12.293 -10.307 6.398 1.00 0.00 H new ATOM 0 HG CYS A 23 10.931 -12.222 4.835 1.00 0.00 H new ATOM 312 N ILE A 24 13.965 -8.235 6.845 1.00 0.00 N ATOM 313 CA ILE A 24 14.338 -7.358 7.947 1.00 0.00 C ATOM 314 C ILE A 24 14.918 -8.154 9.112 1.00 0.00 C ATOM 315 O ILE A 24 14.429 -9.235 9.443 1.00 0.00 O ATOM 316 CB ILE A 24 13.133 -6.540 8.449 1.00 0.00 C ATOM 317 CG1 ILE A 24 12.323 -7.353 9.461 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.257 -6.117 7.279 1.00 0.00 C ATOM 319 CD1 ILE A 24 11.745 -8.628 8.888 1.00 0.00 C ATOM 0 H ILE A 24 13.130 -7.942 6.337 1.00 0.00 H new ATOM 0 HA ILE A 24 15.096 -6.675 7.563 1.00 0.00 H new ATOM 0 HB ILE A 24 13.502 -5.642 8.945 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.961 -7.602 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.511 -6.735 9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.410 -5.540 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.840 -5.505 6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.893 -7.003 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.184 -9.153 9.661 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.081 -8.386 8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.554 -9.266 8.531 1.00 0.00 H new ATOM 331 N LEU A 25 15.961 -7.612 9.730 1.00 0.00 N ATOM 332 CA LEU A 25 16.607 -8.270 10.860 1.00 0.00 C ATOM 333 C LEU A 25 16.838 -7.288 12.004 1.00 0.00 C ATOM 334 O LEU A 25 16.757 -7.656 13.175 1.00 0.00 O ATOM 335 CB LEU A 25 17.939 -8.884 10.424 1.00 0.00 C ATOM 336 CG LEU A 25 19.062 -7.896 10.106 1.00 0.00 C ATOM 337 CD1 LEU A 25 20.419 -8.566 10.248 1.00 0.00 C ATOM 338 CD2 LEU A 25 18.890 -7.328 8.704 1.00 0.00 C ATOM 0 H LEU A 25 16.378 -6.719 9.468 1.00 0.00 H new ATOM 0 HA LEU A 25 15.946 -9.062 11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.283 -9.553 11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.761 -9.498 9.541 1.00 0.00 H new ATOM 0 HG LEU A 25 19.010 -7.074 10.820 1.00 0.00 H new ATOM 0 HD11 LEU A 25 21.205 -7.847 10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 25 20.543 -8.924 11.270 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.483 -9.408 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.698 -6.627 8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 25 18.916 -8.140 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.933 -6.810 8.636 1.00 0.00 H new ATOM 350 N GLN A 26 17.122 -6.037 11.655 1.00 0.00 N ATOM 351 CA GLN A 26 17.362 -5.002 12.653 1.00 0.00 C ATOM 352 C GLN A 26 16.130 -4.793 13.528 1.00 0.00 C ATOM 353 O GLN A 26 16.172 -5.013 14.738 1.00 0.00 O ATOM 354 CB GLN A 26 17.748 -3.687 11.973 1.00 0.00 C ATOM 355 CG GLN A 26 19.207 -3.626 11.552 1.00 0.00 C ATOM 356 CD GLN A 26 19.548 -2.347 10.812 1.00 0.00 C ATOM 357 OE1 GLN A 26 19.559 -2.313 9.581 1.00 0.00 O ATOM 358 NE2 GLN A 26 19.829 -1.287 11.560 1.00 0.00 N ATOM 0 H GLN A 26 17.191 -5.716 10.689 1.00 0.00 H new ATOM 0 HA GLN A 26 18.185 -5.330 13.288 1.00 0.00 H new ATOM 0 HB2 GLN A 26 17.119 -3.543 11.095 1.00 0.00 H new ATOM 0 HB3 GLN A 26 17.540 -2.861 12.653 1.00 0.00 H new ATOM 0 HG2 GLN A 26 19.840 -3.710 12.435 1.00 0.00 H new ATOM 0 HG3 GLN A 26 19.434 -4.481 10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 26 19.808 -1.360 12.577 1.00 0.00 H new ATOM 0 HE22 GLN A 26 20.066 -0.399 11.118 1.00 0.00 H new ATOM 367 N TRP A 27 15.036 -4.367 12.907 1.00 0.00 N ATOM 368 CA TRP A 27 13.792 -4.127 13.630 1.00 0.00 C ATOM 369 C TRP A 27 12.661 -3.782 12.667 1.00 0.00 C ATOM 370 O TRP A 27 12.875 -3.659 11.461 1.00 0.00 O ATOM 371 CB TRP A 27 13.977 -2.999 14.645 1.00 0.00 C ATOM 372 CG TRP A 27 14.234 -1.665 14.011 1.00 0.00 C ATOM 373 CD1 TRP A 27 14.985 -1.419 12.897 1.00 0.00 C ATOM 374 CD2 TRP A 27 13.742 -0.396 14.454 1.00 0.00 C ATOM 375 NE1 TRP A 27 14.989 -0.072 12.622 1.00 0.00 N ATOM 376 CE2 TRP A 27 14.233 0.576 13.562 1.00 0.00 C ATOM 377 CE3 TRP A 27 12.932 0.013 15.517 1.00 0.00 C ATOM 378 CZ2 TRP A 27 13.941 1.931 13.702 1.00 0.00 C ATOM 379 CZ3 TRP A 27 12.643 1.358 15.656 1.00 0.00 C ATOM 380 CH2 TRP A 27 13.146 2.303 14.752 1.00 0.00 C ATOM 0 H TRP A 27 14.985 -4.181 11.905 1.00 0.00 H new ATOM 0 HA TRP A 27 13.526 -5.042 14.160 1.00 0.00 H new ATOM 0 HB2 TRP A 27 13.085 -2.931 15.268 1.00 0.00 H new ATOM 0 HB3 TRP A 27 14.809 -3.246 15.304 1.00 0.00 H new ATOM 0 HD1 TRP A 27 15.500 -2.171 12.318 1.00 0.00 H new ATOM 0 HE1 TRP A 27 15.476 0.373 11.844 1.00 0.00 H new ATOM 0 HE3 TRP A 27 12.539 -0.709 16.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 14.328 2.661 13.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 12.019 1.685 16.475 1.00 0.00 H new ATOM 0 HH2 TRP A 27 12.901 3.346 14.887 1.00 0.00 H new ATOM 391 N LYS A 28 11.457 -3.625 13.207 1.00 0.00 N ATOM 392 CA LYS A 28 10.292 -3.292 12.397 1.00 0.00 C ATOM 393 C LYS A 28 9.895 -1.832 12.589 1.00 0.00 C ATOM 394 O LYS A 28 9.337 -1.460 13.621 1.00 0.00 O ATOM 395 CB LYS A 28 9.116 -4.203 12.758 1.00 0.00 C ATOM 396 CG LYS A 28 9.408 -5.680 12.560 1.00 0.00 C ATOM 397 CD LYS A 28 8.432 -6.550 13.335 1.00 0.00 C ATOM 398 CE LYS A 28 8.213 -7.889 12.648 1.00 0.00 C ATOM 399 NZ LYS A 28 6.861 -8.444 12.933 1.00 0.00 N ATOM 0 H LYS A 28 11.263 -3.723 14.204 1.00 0.00 H new ATOM 0 HA LYS A 28 10.554 -3.445 11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.841 -4.032 13.799 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.254 -3.927 12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.351 -5.924 11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.426 -5.897 12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.811 -6.715 14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.479 -6.030 13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.337 -7.770 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.973 -8.596 12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.751 -9.357 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.751 -8.582 13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.135 -7.781 12.593 1.00 0.00 H new ATOM 413 N LYS A 29 10.186 -1.008 11.588 1.00 0.00 N ATOM 414 CA LYS A 29 9.858 0.411 11.644 1.00 0.00 C ATOM 415 C LYS A 29 9.169 0.862 10.360 1.00 0.00 C ATOM 416 O LYS A 29 9.509 0.404 9.269 1.00 0.00 O ATOM 417 CB LYS A 29 11.124 1.240 11.874 1.00 0.00 C ATOM 418 CG LYS A 29 10.849 2.710 12.140 1.00 0.00 C ATOM 419 CD LYS A 29 10.826 3.515 10.851 1.00 0.00 C ATOM 420 CE LYS A 29 12.211 4.032 10.493 1.00 0.00 C ATOM 421 NZ LYS A 29 13.012 3.011 9.762 1.00 0.00 N ATOM 0 H LYS A 29 10.649 -1.299 10.727 1.00 0.00 H new ATOM 0 HA LYS A 29 9.173 0.567 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.673 0.823 12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.769 1.152 11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.893 2.815 12.653 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.614 3.110 12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.447 2.894 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.139 4.355 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.117 4.928 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.736 4.323 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.754 3.484 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.451 2.361 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.391 2.475 9.123 1.00 0.00 H new ATOM 435 N ILE A 30 8.201 1.762 10.498 1.00 0.00 N ATOM 436 CA ILE A 30 7.468 2.276 9.348 1.00 0.00 C ATOM 437 C ILE A 30 7.690 3.775 9.179 1.00 0.00 C ATOM 438 O ILE A 30 7.866 4.501 10.158 1.00 0.00 O ATOM 439 CB ILE A 30 5.957 2.003 9.476 1.00 0.00 C ATOM 440 CG1 ILE A 30 5.716 0.593 10.020 1.00 0.00 C ATOM 441 CG2 ILE A 30 5.270 2.183 8.131 1.00 0.00 C ATOM 442 CD1 ILE A 30 5.994 -0.499 9.011 1.00 0.00 C ATOM 0 H ILE A 30 7.906 2.150 11.394 1.00 0.00 H new ATOM 0 HA ILE A 30 7.851 1.754 8.471 1.00 0.00 H new ATOM 0 HB ILE A 30 5.531 2.720 10.177 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.347 0.437 10.895 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.682 0.513 10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.203 1.987 8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.418 3.205 7.781 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.696 1.487 7.409 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.802 -1.471 9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.345 -0.368 8.145 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.036 -0.445 8.695 1.00 0.00 H new ATOM 454 N TYR A 31 7.678 4.233 7.932 1.00 0.00 N ATOM 455 CA TYR A 31 7.878 5.646 7.635 1.00 0.00 C ATOM 456 C TYR A 31 7.091 6.058 6.394 1.00 0.00 C ATOM 457 O TYR A 31 6.701 5.217 5.584 1.00 0.00 O ATOM 458 CB TYR A 31 9.365 5.939 7.430 1.00 0.00 C ATOM 459 CG TYR A 31 9.850 5.658 6.025 1.00 0.00 C ATOM 460 CD1 TYR A 31 9.632 6.569 4.999 1.00 0.00 C ATOM 461 CD2 TYR A 31 10.525 4.482 5.725 1.00 0.00 C ATOM 462 CE1 TYR A 31 10.073 6.316 3.714 1.00 0.00 C ATOM 463 CE2 TYR A 31 10.971 4.221 4.443 1.00 0.00 C ATOM 464 CZ TYR A 31 10.742 5.141 3.442 1.00 0.00 C ATOM 465 OH TYR A 31 11.183 4.885 2.163 1.00 0.00 O ATOM 0 H TYR A 31 7.532 3.646 7.111 1.00 0.00 H new ATOM 0 HA TYR A 31 7.514 6.225 8.483 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.557 6.985 7.669 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.945 5.340 8.132 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.109 7.490 5.209 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.705 3.759 6.507 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.895 7.034 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.496 3.302 4.227 1.00 0.00 H new ATOM 0 HH TYR A 31 11.636 4.016 2.141 1.00 0.00 H new ATOM 475 N CYS A 32 6.863 7.360 6.253 1.00 0.00 N ATOM 476 CA CYS A 32 6.123 7.887 5.112 1.00 0.00 C ATOM 477 C CYS A 32 7.072 8.282 3.984 1.00 0.00 C ATOM 478 O CYS A 32 7.985 9.085 4.180 1.00 0.00 O ATOM 479 CB CYS A 32 5.285 9.095 5.536 1.00 0.00 C ATOM 480 SG CYS A 32 3.939 9.507 4.380 1.00 0.00 S ATOM 0 H CYS A 32 7.180 8.069 6.914 1.00 0.00 H new ATOM 0 HA CYS A 32 5.459 7.103 4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.858 8.900 6.520 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.940 9.960 5.638 1.00 0.00 H new ATOM 485 N ARG A 33 6.849 7.713 2.804 1.00 0.00 N ATOM 486 CA ARG A 33 7.684 8.004 1.645 1.00 0.00 C ATOM 487 C ARG A 33 7.091 9.144 0.821 1.00 0.00 C ATOM 488 O ARG A 33 7.356 9.260 -0.376 1.00 0.00 O ATOM 489 CB ARG A 33 7.837 6.757 0.774 1.00 0.00 C ATOM 490 CG ARG A 33 6.526 6.258 0.188 1.00 0.00 C ATOM 491 CD ARG A 33 6.740 5.570 -1.151 1.00 0.00 C ATOM 492 NE ARG A 33 6.995 4.140 -0.997 1.00 0.00 N ATOM 493 CZ ARG A 33 7.583 3.394 -1.926 1.00 0.00 C ATOM 494 NH1 ARG A 33 7.976 3.940 -3.069 1.00 0.00 N ATOM 495 NH2 ARG A 33 7.779 2.099 -1.713 1.00 0.00 N ATOM 0 H ARG A 33 6.097 7.048 2.625 1.00 0.00 H new ATOM 0 HA ARG A 33 8.667 8.310 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.529 6.975 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.285 5.961 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.056 5.563 0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.840 7.096 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.861 5.716 -1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.580 6.035 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 33 6.706 3.689 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.827 4.935 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.427 3.365 -3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.478 1.675 -0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.230 1.527 -2.427 1.00 0.00 H new ATOM 509 N ILE A 34 6.290 9.982 1.470 1.00 0.00 N ATOM 510 CA ILE A 34 5.661 11.112 0.798 1.00 0.00 C ATOM 511 C ILE A 34 6.123 12.435 1.398 1.00 0.00 C ATOM 512 O ILE A 34 6.337 13.413 0.682 1.00 0.00 O ATOM 513 CB ILE A 34 4.125 11.032 0.880 1.00 0.00 C ATOM 514 CG1 ILE A 34 3.630 9.703 0.305 1.00 0.00 C ATOM 515 CG2 ILE A 34 3.493 12.203 0.142 1.00 0.00 C ATOM 516 CD1 ILE A 34 2.160 9.447 0.555 1.00 0.00 C ATOM 0 H ILE A 34 6.061 9.900 2.461 1.00 0.00 H new ATOM 0 HA ILE A 34 5.964 11.065 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 34 3.829 11.086 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.815 9.689 -0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.211 8.889 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.407 12.132 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.824 13.139 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.794 12.178 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.879 8.488 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.971 9.428 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.569 10.240 0.097 1.00 0.00 H new ATOM 528 N CYS A 35 6.276 12.458 2.718 1.00 0.00 N ATOM 529 CA CYS A 35 6.714 13.661 3.416 1.00 0.00 C ATOM 530 C CYS A 35 7.949 13.376 4.266 1.00 0.00 C ATOM 531 O CYS A 35 8.185 14.038 5.277 1.00 0.00 O ATOM 532 CB CYS A 35 5.588 14.202 4.298 1.00 0.00 C ATOM 533 SG CYS A 35 5.115 13.094 5.665 1.00 0.00 S ATOM 0 H CYS A 35 6.103 11.657 3.326 1.00 0.00 H new ATOM 0 HA CYS A 35 6.973 14.411 2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.895 15.162 4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.712 14.389 3.677 1.00 0.00 H new ATOM 538 N MET A 36 8.733 12.388 3.849 1.00 0.00 N ATOM 539 CA MET A 36 9.945 12.017 4.571 1.00 0.00 C ATOM 540 C MET A 36 9.722 12.088 6.078 1.00 0.00 C ATOM 541 O MET A 36 10.473 12.749 6.795 1.00 0.00 O ATOM 542 CB MET A 36 11.103 12.933 4.171 1.00 0.00 C ATOM 543 CG MET A 36 11.906 12.416 2.988 1.00 0.00 C ATOM 544 SD MET A 36 13.279 11.361 3.488 1.00 0.00 S ATOM 545 CE MET A 36 12.528 9.740 3.352 1.00 0.00 C ATOM 0 H MET A 36 8.551 11.830 3.015 1.00 0.00 H new ATOM 0 HA MET A 36 10.196 10.990 4.306 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.708 13.919 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 36 11.769 13.057 5.025 1.00 0.00 H new ATOM 0 HG2 MET A 36 11.247 11.857 2.323 1.00 0.00 H new ATOM 0 HG3 MET A 36 12.291 13.262 2.418 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.305 8.990 3.206 1.00 0.00 H new ATOM 0 HE2 MET A 36 11.976 9.517 4.265 1.00 0.00 H new ATOM 0 HE3 MET A 36 11.845 9.725 2.503 1.00 0.00 H new ATOM 555 N ALA A 37 8.687 11.403 6.552 1.00 0.00 N ATOM 556 CA ALA A 37 8.368 11.387 7.974 1.00 0.00 C ATOM 557 C ALA A 37 8.372 9.964 8.522 1.00 0.00 C ATOM 558 O ALA A 37 8.663 9.012 7.799 1.00 0.00 O ATOM 559 CB ALA A 37 7.018 12.045 8.219 1.00 0.00 C ATOM 0 H ALA A 37 8.055 10.852 5.972 1.00 0.00 H new ATOM 0 HA ALA A 37 9.137 11.953 8.500 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.792 12.026 9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.049 13.078 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.245 11.503 7.675 1.00 0.00 H new ATOM 565 N GLN A 38 8.048 9.827 9.804 1.00 0.00 N ATOM 566 CA GLN A 38 8.017 8.520 10.448 1.00 0.00 C ATOM 567 C GLN A 38 6.657 8.261 11.088 1.00 0.00 C ATOM 568 O GLN A 38 5.938 9.197 11.441 1.00 0.00 O ATOM 569 CB GLN A 38 9.118 8.422 11.506 1.00 0.00 C ATOM 570 CG GLN A 38 10.486 8.093 10.930 1.00 0.00 C ATOM 571 CD GLN A 38 11.230 9.325 10.453 1.00 0.00 C ATOM 572 OE1 GLN A 38 10.820 10.454 10.722 1.00 0.00 O ATOM 573 NE2 GLN A 38 12.331 9.113 9.741 1.00 0.00 N ATOM 0 H GLN A 38 7.803 10.605 10.416 1.00 0.00 H new ATOM 0 HA GLN A 38 8.189 7.763 9.683 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.178 9.367 12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.845 7.657 12.233 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.082 7.584 11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.368 7.399 10.098 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.634 8.160 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.874 9.904 9.393 1.00 0.00 H new ATOM 582 N ILE A 39 6.310 6.987 11.235 1.00 0.00 N ATOM 583 CA ILE A 39 5.036 6.606 11.833 1.00 0.00 C ATOM 584 C ILE A 39 5.228 5.528 12.894 1.00 0.00 C ATOM 585 O ILE A 39 6.027 4.608 12.721 1.00 0.00 O ATOM 586 CB ILE A 39 4.046 6.094 10.770 1.00 0.00 C ATOM 587 CG1 ILE A 39 3.755 7.191 9.743 1.00 0.00 C ATOM 588 CG2 ILE A 39 2.758 5.623 11.429 1.00 0.00 C ATOM 589 CD1 ILE A 39 4.837 7.341 8.697 1.00 0.00 C ATOM 0 H ILE A 39 6.893 6.201 10.948 1.00 0.00 H new ATOM 0 HA ILE A 39 4.625 7.502 12.299 1.00 0.00 H new ATOM 0 HB ILE A 39 4.497 5.247 10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.809 6.972 9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.630 8.141 10.263 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.068 5.264 10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.980 4.815 12.126 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.301 6.452 11.969 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.564 8.136 8.003 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.780 7.591 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.947 6.404 8.151 1.00 0.00 H new ATOM 601 N ALA A 40 4.488 5.647 13.991 1.00 0.00 N ATOM 602 CA ALA A 40 4.574 4.681 15.079 1.00 0.00 C ATOM 603 C ALA A 40 3.786 3.416 14.753 1.00 0.00 C ATOM 604 O ALA A 40 2.568 3.460 14.578 1.00 0.00 O ATOM 605 CB ALA A 40 4.071 5.299 16.375 1.00 0.00 C ATOM 0 H ALA A 40 3.822 6.403 14.150 1.00 0.00 H new ATOM 0 HA ALA A 40 5.621 4.404 15.204 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.141 4.566 17.179 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.679 6.169 16.623 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.032 5.605 16.253 1.00 0.00 H new ATOM 611 N TYR A 41 4.488 2.292 14.673 1.00 0.00 N ATOM 612 CA TYR A 41 3.854 1.015 14.365 1.00 0.00 C ATOM 613 C TYR A 41 3.745 0.145 15.614 1.00 0.00 C ATOM 614 O TYR A 41 4.747 -0.161 16.260 1.00 0.00 O ATOM 615 CB TYR A 41 4.645 0.277 13.283 1.00 0.00 C ATOM 616 CG TYR A 41 3.873 -0.847 12.630 1.00 0.00 C ATOM 617 CD1 TYR A 41 2.603 -0.632 12.108 1.00 0.00 C ATOM 618 CD2 TYR A 41 4.413 -2.123 12.535 1.00 0.00 C ATOM 619 CE1 TYR A 41 1.894 -1.656 11.511 1.00 0.00 C ATOM 620 CE2 TYR A 41 3.712 -3.153 11.938 1.00 0.00 C ATOM 621 CZ TYR A 41 2.453 -2.915 11.427 1.00 0.00 C ATOM 622 OH TYR A 41 1.750 -3.938 10.833 1.00 0.00 O ATOM 0 H TYR A 41 5.496 2.238 14.817 1.00 0.00 H new ATOM 0 HA TYR A 41 2.848 1.217 13.997 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.950 0.990 12.517 1.00 0.00 H new ATOM 0 HB3 TYR A 41 5.557 -0.127 13.723 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.163 0.352 12.170 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.398 -2.313 12.935 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.907 -1.472 11.112 1.00 0.00 H new ATOM 0 HE2 TYR A 41 4.147 -4.139 11.872 1.00 0.00 H new ATOM 0 HH TYR A 41 1.049 -4.251 11.443 1.00 0.00 H new ATOM 632 N SER A 42 2.521 -0.249 15.947 1.00 0.00 N ATOM 633 CA SER A 42 2.278 -1.081 17.120 1.00 0.00 C ATOM 634 C SER A 42 1.767 -2.460 16.712 1.00 0.00 C ATOM 635 O SER A 42 0.882 -3.022 17.355 1.00 0.00 O ATOM 636 CB SER A 42 1.269 -0.406 18.051 1.00 0.00 C ATOM 637 OG SER A 42 1.494 -0.775 19.400 1.00 0.00 O ATOM 0 H SER A 42 1.681 -0.006 15.421 1.00 0.00 H new ATOM 0 HA SER A 42 3.223 -1.204 17.649 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.344 0.677 17.950 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.257 -0.685 17.758 1.00 0.00 H new ATOM 0 HG SER A 42 0.837 -0.329 19.975 1.00 0.00 H new ATOM 643 N GLY A 43 2.333 -2.999 15.636 1.00 0.00 N ATOM 644 CA GLY A 43 1.923 -4.307 15.159 1.00 0.00 C ATOM 645 C GLY A 43 0.826 -4.226 14.116 1.00 0.00 C ATOM 646 O GLY A 43 0.901 -4.879 13.076 1.00 0.00 O ATOM 0 H GLY A 43 3.068 -2.553 15.087 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.785 -4.823 14.736 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.576 -4.905 16.001 1.00 0.00 H new ATOM 650 N ASN A 44 -0.196 -3.424 14.396 1.00 0.00 N ATOM 651 CA ASN A 44 -1.315 -3.263 13.474 1.00 0.00 C ATOM 652 C ASN A 44 -1.145 -2.005 12.628 1.00 0.00 C ATOM 653 O ASN A 44 -0.434 -1.076 13.011 1.00 0.00 O ATOM 654 CB ASN A 44 -2.634 -3.196 14.247 1.00 0.00 C ATOM 655 CG ASN A 44 -2.999 -4.524 14.883 1.00 0.00 C ATOM 656 OD1 ASN A 44 -2.254 -5.499 14.782 1.00 0.00 O ATOM 657 ND2 ASN A 44 -4.150 -4.567 15.543 1.00 0.00 N ATOM 0 H ASN A 44 -0.273 -2.876 15.253 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.334 -4.127 12.810 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.560 -2.433 15.022 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.432 -2.888 13.572 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.448 -5.433 15.992 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.736 -3.734 15.601 1.00 0.00 H new ATOM 664 N THR A 45 -1.803 -1.982 11.473 1.00 0.00 N ATOM 665 CA THR A 45 -1.724 -0.840 10.571 1.00 0.00 C ATOM 666 C THR A 45 -2.873 0.132 10.813 1.00 0.00 C ATOM 667 O THR A 45 -3.540 0.566 9.874 1.00 0.00 O ATOM 668 CB THR A 45 -1.746 -1.285 9.097 1.00 0.00 C ATOM 669 OG1 THR A 45 -2.968 -1.976 8.811 1.00 0.00 O ATOM 670 CG2 THR A 45 -0.562 -2.190 8.787 1.00 0.00 C ATOM 0 H THR A 45 -2.397 -2.742 11.140 1.00 0.00 H new ATOM 0 HA THR A 45 -0.778 -0.340 10.778 1.00 0.00 H new ATOM 0 HB THR A 45 -1.677 -0.395 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.974 -2.254 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.599 -2.492 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.367 -1.652 8.977 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.605 -3.075 9.421 1.00 0.00 H new ATOM 678 N SER A 46 -3.100 0.470 12.079 1.00 0.00 N ATOM 679 CA SER A 46 -4.171 1.388 12.445 1.00 0.00 C ATOM 680 C SER A 46 -3.694 2.836 12.374 1.00 0.00 C ATOM 681 O SER A 46 -4.386 3.704 11.843 1.00 0.00 O ATOM 682 CB SER A 46 -4.681 1.076 13.853 1.00 0.00 C ATOM 683 OG SER A 46 -5.621 2.045 14.282 1.00 0.00 O ATOM 0 H SER A 46 -2.556 0.121 12.868 1.00 0.00 H new ATOM 0 HA SER A 46 -4.986 1.257 11.734 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.141 0.088 13.866 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.842 1.046 14.548 1.00 0.00 H new ATOM 0 HG SER A 46 -5.933 1.822 15.184 1.00 0.00 H new ATOM 689 N ASN A 47 -2.505 3.087 12.912 1.00 0.00 N ATOM 690 CA ASN A 47 -1.934 4.429 12.911 1.00 0.00 C ATOM 691 C ASN A 47 -1.582 4.869 11.493 1.00 0.00 C ATOM 692 O ASN A 47 -1.839 6.009 11.103 1.00 0.00 O ATOM 693 CB ASN A 47 -0.687 4.476 13.796 1.00 0.00 C ATOM 694 CG ASN A 47 -1.027 4.639 15.265 1.00 0.00 C ATOM 695 OD1 ASN A 47 -1.123 3.659 16.004 1.00 0.00 O ATOM 696 ND2 ASN A 47 -1.210 5.882 15.696 1.00 0.00 N ATOM 0 H ASN A 47 -1.918 2.379 13.354 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.681 5.115 13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.112 3.560 13.658 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.051 5.302 13.479 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.440 6.054 16.675 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.120 6.665 15.048 1.00 0.00 H new ATOM 703 N LEU A 48 -0.992 3.959 10.727 1.00 0.00 N ATOM 704 CA LEU A 48 -0.605 4.251 9.351 1.00 0.00 C ATOM 705 C LEU A 48 -1.646 5.131 8.668 1.00 0.00 C ATOM 706 O LEU A 48 -1.396 6.304 8.389 1.00 0.00 O ATOM 707 CB LEU A 48 -0.422 2.953 8.564 1.00 0.00 C ATOM 708 CG LEU A 48 0.948 2.283 8.682 1.00 0.00 C ATOM 709 CD1 LEU A 48 2.053 3.264 8.324 1.00 0.00 C ATOM 710 CD2 LEU A 48 1.154 1.733 10.086 1.00 0.00 C ATOM 0 H LEU A 48 -0.771 3.012 11.035 1.00 0.00 H new ATOM 0 HA LEU A 48 0.342 4.790 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.181 2.243 8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.613 3.160 7.511 1.00 0.00 H new ATOM 0 HG LEU A 48 0.987 1.451 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.021 2.770 8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.915 3.609 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.016 4.117 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.134 1.260 10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.095 2.547 10.808 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.380 0.997 10.306 1.00 0.00 H new ATOM 722 N SER A 49 -2.816 4.558 8.402 1.00 0.00 N ATOM 723 CA SER A 49 -3.895 5.290 7.750 1.00 0.00 C ATOM 724 C SER A 49 -4.153 6.619 8.453 1.00 0.00 C ATOM 725 O SER A 49 -4.329 7.652 7.806 1.00 0.00 O ATOM 726 CB SER A 49 -5.174 4.450 7.738 1.00 0.00 C ATOM 727 OG SER A 49 -5.764 4.402 9.026 1.00 0.00 O ATOM 0 H SER A 49 -3.040 3.589 8.628 1.00 0.00 H new ATOM 0 HA SER A 49 -3.593 5.495 6.723 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.883 4.871 7.025 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.946 3.439 7.401 1.00 0.00 H new ATOM 0 HG SER A 49 -5.084 4.157 9.688 1.00 0.00 H new ATOM 733 N TYR A 50 -4.172 6.585 9.781 1.00 0.00 N ATOM 734 CA TYR A 50 -4.410 7.786 10.573 1.00 0.00 C ATOM 735 C TYR A 50 -3.479 8.915 10.143 1.00 0.00 C ATOM 736 O TYR A 50 -3.927 10.016 9.820 1.00 0.00 O ATOM 737 CB TYR A 50 -4.216 7.488 12.060 1.00 0.00 C ATOM 738 CG TYR A 50 -4.710 8.591 12.969 1.00 0.00 C ATOM 739 CD1 TYR A 50 -4.018 9.791 13.076 1.00 0.00 C ATOM 740 CD2 TYR A 50 -5.868 8.433 13.720 1.00 0.00 C ATOM 741 CE1 TYR A 50 -4.466 10.802 13.905 1.00 0.00 C ATOM 742 CE2 TYR A 50 -6.323 9.439 14.550 1.00 0.00 C ATOM 743 CZ TYR A 50 -5.619 10.621 14.639 1.00 0.00 C ATOM 744 OH TYR A 50 -6.068 11.625 15.467 1.00 0.00 O ATOM 0 H TYR A 50 -4.025 5.739 10.332 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.439 8.104 10.404 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.738 6.564 12.308 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.157 7.317 12.252 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.115 9.936 12.502 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.422 7.508 13.654 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.916 11.729 13.977 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.226 9.300 15.126 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.893 11.338 15.911 1.00 0.00 H new ATOM 754 N HIS A 51 -2.180 8.634 10.141 1.00 0.00 N ATOM 755 CA HIS A 51 -1.184 9.625 9.750 1.00 0.00 C ATOM 756 C HIS A 51 -1.690 10.475 8.588 1.00 0.00 C ATOM 757 O HIS A 51 -1.827 11.693 8.710 1.00 0.00 O ATOM 758 CB HIS A 51 0.126 8.937 9.361 1.00 0.00 C ATOM 759 CG HIS A 51 1.018 9.785 8.508 1.00 0.00 C ATOM 760 ND1 HIS A 51 1.900 10.709 9.027 1.00 0.00 N ATOM 761 CD2 HIS A 51 1.162 9.844 7.163 1.00 0.00 C ATOM 762 CE1 HIS A 51 2.546 11.301 8.039 1.00 0.00 C ATOM 763 NE2 HIS A 51 2.117 10.794 6.898 1.00 0.00 N ATOM 0 H HIS A 51 -1.793 7.728 10.406 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.003 10.278 10.604 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.663 8.657 10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.102 8.014 8.828 1.00 0.00 H new ATOM 0 HD1 HIS A 51 2.033 10.905 10.019 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.626 9.254 6.435 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.297 12.069 8.146 1.00 0.00 H new ATOM 771 N LEU A 52 -1.965 9.826 7.462 1.00 0.00 N ATOM 772 CA LEU A 52 -2.455 10.522 6.278 1.00 0.00 C ATOM 773 C LEU A 52 -3.607 11.456 6.633 1.00 0.00 C ATOM 774 O LEU A 52 -3.524 12.666 6.425 1.00 0.00 O ATOM 775 CB LEU A 52 -2.909 9.514 5.221 1.00 0.00 C ATOM 776 CG LEU A 52 -1.881 8.455 4.818 1.00 0.00 C ATOM 777 CD1 LEU A 52 -2.577 7.190 4.341 1.00 0.00 C ATOM 778 CD2 LEU A 52 -0.955 8.996 3.738 1.00 0.00 C ATOM 0 H LEU A 52 -1.857 8.819 7.344 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.638 11.120 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.799 9.005 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.205 10.063 4.327 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.281 8.207 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.830 6.448 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.198 6.792 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.202 7.422 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.230 8.230 3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.541 9.272 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.430 9.874 4.115 1.00 0.00 H new ATOM 790 N GLU A 53 -4.680 10.886 7.173 1.00 0.00 N ATOM 791 CA GLU A 53 -5.848 11.669 7.558 1.00 0.00 C ATOM 792 C GLU A 53 -5.442 12.865 8.415 1.00 0.00 C ATOM 793 O GLU A 53 -6.182 13.843 8.528 1.00 0.00 O ATOM 794 CB GLU A 53 -6.846 10.796 8.322 1.00 0.00 C ATOM 795 CG GLU A 53 -8.067 11.555 8.814 1.00 0.00 C ATOM 796 CD GLU A 53 -8.939 10.723 9.735 1.00 0.00 C ATOM 797 OE1 GLU A 53 -9.421 9.659 9.295 1.00 0.00 O ATOM 798 OE2 GLU A 53 -9.138 11.138 10.896 1.00 0.00 O ATOM 0 H GLU A 53 -4.764 9.886 7.353 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.322 12.039 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.172 9.981 7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.341 10.344 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.744 12.454 9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.657 11.881 7.957 1.00 0.00 H new ATOM 805 N LYS A 54 -4.262 12.780 9.018 1.00 0.00 N ATOM 806 CA LYS A 54 -3.755 13.853 9.865 1.00 0.00 C ATOM 807 C LYS A 54 -2.850 14.790 9.072 1.00 0.00 C ATOM 808 O LYS A 54 -2.801 15.991 9.336 1.00 0.00 O ATOM 809 CB LYS A 54 -2.988 13.273 11.056 1.00 0.00 C ATOM 810 CG LYS A 54 -2.012 14.251 11.686 1.00 0.00 C ATOM 811 CD LYS A 54 -2.736 15.369 12.417 1.00 0.00 C ATOM 812 CE LYS A 54 -2.994 15.007 13.872 1.00 0.00 C ATOM 813 NZ LYS A 54 -1.731 14.930 14.657 1.00 0.00 N ATOM 0 H LYS A 54 -3.637 11.978 8.936 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.607 14.424 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.702 12.947 11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.442 12.388 10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.363 13.721 12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.371 14.676 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.142 16.282 12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.683 15.577 11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.655 15.750 14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.511 14.049 13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.938 15.088 15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.303 13.990 14.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.069 15.658 14.321 1.00 0.00 H new ATOM 827 N ASN A 55 -2.136 14.233 8.099 1.00 0.00 N ATOM 828 CA ASN A 55 -1.233 15.020 7.267 1.00 0.00 C ATOM 829 C ASN A 55 -1.776 15.150 5.847 1.00 0.00 C ATOM 830 O ASN A 55 -2.160 16.237 5.414 1.00 0.00 O ATOM 831 CB ASN A 55 0.156 14.379 7.238 1.00 0.00 C ATOM 832 CG ASN A 55 0.764 14.254 8.621 1.00 0.00 C ATOM 833 OD1 ASN A 55 1.502 15.133 9.069 1.00 0.00 O ATOM 834 ND2 ASN A 55 0.457 13.159 9.306 1.00 0.00 N ATOM 0 H ASN A 55 -2.165 13.240 7.867 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.156 16.017 7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.088 13.391 6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.815 14.975 6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.837 13.020 10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.158 12.457 8.896 1.00 0.00 H new ATOM 841 N HIS A 56 -1.805 14.033 5.127 1.00 0.00 N ATOM 842 CA HIS A 56 -2.302 14.021 3.755 1.00 0.00 C ATOM 843 C HIS A 56 -3.775 13.626 3.715 1.00 0.00 C ATOM 844 O HIS A 56 -4.136 12.461 3.885 1.00 0.00 O ATOM 845 CB HIS A 56 -1.480 13.055 2.901 1.00 0.00 C ATOM 846 CG HIS A 56 -0.002 13.189 3.101 1.00 0.00 C ATOM 847 ND1 HIS A 56 0.923 12.285 3.499 1.00 0.00 N flip ATOM 848 CD2 HIS A 56 0.683 14.366 2.886 1.00 0.00 C flip ATOM 849 CE1 HIS A 56 2.138 12.926 3.517 1.00 0.00 C flip ATOM 850 NE2 HIS A 56 1.966 14.180 3.142 1.00 0.00 N flip ATOM 0 H HIS A 56 -1.491 13.125 5.470 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.202 15.028 3.349 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.779 12.033 3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.713 13.224 1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.240 15.295 2.559 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.081 12.477 3.793 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.699 14.885 3.063 1.00 0.00 H new ATOM 858 N PRO A 57 -4.648 14.618 3.485 1.00 0.00 N ATOM 859 CA PRO A 57 -6.096 14.399 3.418 1.00 0.00 C ATOM 860 C PRO A 57 -6.507 13.618 2.174 1.00 0.00 C ATOM 861 O PRO A 57 -7.284 12.668 2.256 1.00 0.00 O ATOM 862 CB PRO A 57 -6.668 15.818 3.371 1.00 0.00 C ATOM 863 CG PRO A 57 -5.574 16.649 2.796 1.00 0.00 C ATOM 864 CD PRO A 57 -4.289 16.030 3.274 1.00 0.00 C ATOM 0 HA PRO A 57 -6.458 13.807 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.565 15.863 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.948 16.165 4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.622 16.658 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.655 17.684 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.493 16.136 2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.936 16.497 4.194 1.00 0.00 H new ATOM 872 N GLU A 58 -5.979 14.026 1.024 1.00 0.00 N ATOM 873 CA GLU A 58 -6.292 13.363 -0.237 1.00 0.00 C ATOM 874 C GLU A 58 -5.856 11.901 -0.206 1.00 0.00 C ATOM 875 O GLU A 58 -6.687 10.995 -0.231 1.00 0.00 O ATOM 876 CB GLU A 58 -5.611 14.086 -1.401 1.00 0.00 C ATOM 877 CG GLU A 58 -6.157 15.481 -1.655 1.00 0.00 C ATOM 878 CD GLU A 58 -7.636 15.475 -1.993 1.00 0.00 C ATOM 879 OE1 GLU A 58 -8.085 14.533 -2.678 1.00 0.00 O ATOM 880 OE2 GLU A 58 -8.343 16.414 -1.571 1.00 0.00 O ATOM 0 H GLU A 58 -5.334 14.811 0.939 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.372 13.398 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.542 14.155 -1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.727 13.489 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.992 16.098 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.603 15.941 -2.473 1.00 0.00 H new ATOM 887 N GLU A 59 -4.545 11.682 -0.153 1.00 0.00 N ATOM 888 CA GLU A 59 -3.999 10.330 -0.121 1.00 0.00 C ATOM 889 C GLU A 59 -4.835 9.427 0.781 1.00 0.00 C ATOM 890 O GLU A 59 -5.001 8.238 0.506 1.00 0.00 O ATOM 891 CB GLU A 59 -2.549 10.354 0.367 1.00 0.00 C ATOM 892 CG GLU A 59 -1.538 10.601 -0.740 1.00 0.00 C ATOM 893 CD GLU A 59 -1.879 11.816 -1.581 1.00 0.00 C ATOM 894 OE1 GLU A 59 -2.335 12.827 -1.007 1.00 0.00 O ATOM 895 OE2 GLU A 59 -1.689 11.756 -2.814 1.00 0.00 O ATOM 0 H GLU A 59 -3.843 12.422 -0.131 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.028 9.930 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.442 11.130 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.321 9.404 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.549 10.734 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.486 9.722 -1.382 1.00 0.00 H new ATOM 902 N PHE A 60 -5.360 9.999 1.860 1.00 0.00 N ATOM 903 CA PHE A 60 -6.178 9.246 2.803 1.00 0.00 C ATOM 904 C PHE A 60 -7.455 8.744 2.136 1.00 0.00 C ATOM 905 O PHE A 60 -7.780 7.558 2.207 1.00 0.00 O ATOM 906 CB PHE A 60 -6.528 10.114 4.013 1.00 0.00 C ATOM 907 CG PHE A 60 -7.332 9.392 5.057 1.00 0.00 C ATOM 908 CD1 PHE A 60 -6.882 8.195 5.591 1.00 0.00 C ATOM 909 CD2 PHE A 60 -8.537 9.911 5.503 1.00 0.00 C ATOM 910 CE1 PHE A 60 -7.620 7.529 6.551 1.00 0.00 C ATOM 911 CE2 PHE A 60 -9.279 9.249 6.463 1.00 0.00 C ATOM 912 CZ PHE A 60 -8.820 8.057 6.988 1.00 0.00 C ATOM 0 H PHE A 60 -5.233 10.982 2.103 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.601 8.384 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.607 10.481 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.087 10.986 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -5.945 7.778 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.900 10.843 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.259 6.597 6.959 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.217 9.664 6.802 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.398 7.538 7.739 1.00 0.00 H new ATOM 922 N CYS A 61 -8.175 9.655 1.490 1.00 0.00 N ATOM 923 CA CYS A 61 -9.418 9.306 0.811 1.00 0.00 C ATOM 924 C CYS A 61 -9.215 8.112 -0.115 1.00 0.00 C ATOM 925 O CYS A 61 -9.841 7.067 0.058 1.00 0.00 O ATOM 926 CB CYS A 61 -9.940 10.502 0.014 1.00 0.00 C ATOM 927 SG CYS A 61 -11.536 10.215 -0.787 1.00 0.00 S ATOM 0 H CYS A 61 -7.920 10.640 1.422 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.153 9.034 1.568 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.029 11.359 0.682 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.206 10.766 -0.747 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.895 11.284 -1.435 1.00 0.00 H new ATOM 933 N GLU A 62 -8.336 8.275 -1.100 1.00 0.00 N ATOM 934 CA GLU A 62 -8.053 7.211 -2.055 1.00 0.00 C ATOM 935 C GLU A 62 -7.992 5.855 -1.357 1.00 0.00 C ATOM 936 O GLU A 62 -8.464 4.849 -1.887 1.00 0.00 O ATOM 937 CB GLU A 62 -6.734 7.483 -2.780 1.00 0.00 C ATOM 938 CG GLU A 62 -6.805 8.645 -3.757 1.00 0.00 C ATOM 939 CD GLU A 62 -7.942 8.504 -4.750 1.00 0.00 C ATOM 940 OE1 GLU A 62 -8.363 7.357 -5.010 1.00 0.00 O ATOM 941 OE2 GLU A 62 -8.410 9.539 -5.267 1.00 0.00 O ATOM 0 H GLU A 62 -7.808 9.134 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.862 7.189 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.959 7.687 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.433 6.584 -3.318 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.926 9.575 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.862 8.718 -4.298 1.00 0.00 H new ATOM 948 N PHE A 63 -7.407 5.837 -0.164 1.00 0.00 N ATOM 949 CA PHE A 63 -7.282 4.606 0.608 1.00 0.00 C ATOM 950 C PHE A 63 -8.573 4.303 1.363 1.00 0.00 C ATOM 951 O PHE A 63 -8.940 3.143 1.549 1.00 0.00 O ATOM 952 CB PHE A 63 -6.115 4.712 1.592 1.00 0.00 C ATOM 953 CG PHE A 63 -6.090 3.610 2.612 1.00 0.00 C ATOM 954 CD1 PHE A 63 -6.972 3.617 3.681 1.00 0.00 C ATOM 955 CD2 PHE A 63 -5.183 2.568 2.503 1.00 0.00 C ATOM 956 CE1 PHE A 63 -6.951 2.604 4.621 1.00 0.00 C ATOM 957 CE2 PHE A 63 -5.158 1.552 3.440 1.00 0.00 C ATOM 958 CZ PHE A 63 -6.042 1.571 4.501 1.00 0.00 C ATOM 0 H PHE A 63 -7.012 6.661 0.289 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.089 3.789 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.178 4.702 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.170 5.671 2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.684 4.423 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.488 2.549 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.645 2.620 5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.448 0.744 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.023 0.780 5.236 1.00 0.00 H new ATOM 968 N VAL A 64 -9.259 5.357 1.796 1.00 0.00 N ATOM 969 CA VAL A 64 -10.509 5.205 2.530 1.00 0.00 C ATOM 970 C VAL A 64 -11.666 4.892 1.587 1.00 0.00 C ATOM 971 O VAL A 64 -12.556 5.717 1.382 1.00 0.00 O ATOM 972 CB VAL A 64 -10.846 6.476 3.333 1.00 0.00 C ATOM 973 CG1 VAL A 64 -12.079 6.252 4.195 1.00 0.00 C ATOM 974 CG2 VAL A 64 -9.659 6.897 4.185 1.00 0.00 C ATOM 0 H VAL A 64 -8.970 6.324 1.651 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.371 4.373 3.220 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.065 7.281 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.302 7.160 4.755 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.927 6.001 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.893 5.434 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.914 7.796 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.407 6.096 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.803 7.101 3.541 1.00 0.00 H new ATOM 984 N LYS A 65 -11.647 3.692 1.016 1.00 0.00 N ATOM 985 CA LYS A 65 -12.694 3.267 0.095 1.00 0.00 C ATOM 986 C LYS A 65 -13.645 2.282 0.770 1.00 0.00 C ATOM 987 O LYS A 65 -14.111 1.329 0.147 1.00 0.00 O ATOM 988 CB LYS A 65 -12.078 2.625 -1.150 1.00 0.00 C ATOM 989 CG LYS A 65 -11.041 3.498 -1.835 1.00 0.00 C ATOM 990 CD LYS A 65 -11.648 4.803 -2.325 1.00 0.00 C ATOM 991 CE LYS A 65 -12.543 4.581 -3.535 1.00 0.00 C ATOM 992 NZ LYS A 65 -11.786 4.690 -4.812 1.00 0.00 N ATOM 0 H LYS A 65 -10.918 2.997 1.175 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.262 4.149 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.616 1.679 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.872 2.394 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.228 3.712 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.608 2.958 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.226 5.261 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.852 5.502 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.005 3.596 -3.469 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.351 5.313 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.431 4.532 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.366 5.639 -4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.031 3.975 -4.830 1.00 0.00 H new ATOM 1006 N SER A 66 -13.929 2.521 2.046 1.00 0.00 N ATOM 1007 CA SER A 66 -14.822 1.654 2.806 1.00 0.00 C ATOM 1008 C SER A 66 -16.252 2.185 2.772 1.00 0.00 C ATOM 1009 O SER A 66 -16.579 3.161 3.445 1.00 0.00 O ATOM 1010 CB SER A 66 -14.343 1.537 4.254 1.00 0.00 C ATOM 1011 OG SER A 66 -13.017 1.040 4.314 1.00 0.00 O ATOM 0 H SER A 66 -13.554 3.308 2.576 1.00 0.00 H new ATOM 0 HA SER A 66 -14.809 0.666 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.391 2.513 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.008 0.875 4.808 1.00 0.00 H new ATOM 0 HG SER A 66 -12.734 0.976 5.250 1.00 0.00 H new ATOM 1017 N ASN A 67 -17.100 1.533 1.983 1.00 0.00 N ATOM 1018 CA ASN A 67 -18.496 1.938 1.861 1.00 0.00 C ATOM 1019 C ASN A 67 -18.604 3.425 1.538 1.00 0.00 C ATOM 1020 O ASN A 67 -19.432 4.136 2.108 1.00 0.00 O ATOM 1021 CB ASN A 67 -19.254 1.628 3.153 1.00 0.00 C ATOM 1022 CG ASN A 67 -19.687 0.177 3.235 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -20.657 -0.230 2.597 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -18.966 -0.611 4.025 1.00 0.00 N ATOM 0 H ASN A 67 -16.845 0.722 1.419 1.00 0.00 H new ATOM 0 HA ASN A 67 -18.942 1.373 1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -18.621 1.864 4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -20.132 2.271 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -19.209 -1.597 4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -18.169 -0.230 4.535 1.00 0.00 H new ATOM 1031 N SER A 68 -17.761 3.889 0.621 1.00 0.00 N ATOM 1032 CA SER A 68 -17.760 5.293 0.225 1.00 0.00 C ATOM 1033 C SER A 68 -19.177 5.857 0.218 1.00 0.00 C ATOM 1034 O SER A 68 -20.146 5.128 0.008 1.00 0.00 O ATOM 1035 CB SER A 68 -17.128 5.453 -1.159 1.00 0.00 C ATOM 1036 OG SER A 68 -16.721 6.792 -1.382 1.00 0.00 O ATOM 0 H SER A 68 -17.070 3.314 0.139 1.00 0.00 H new ATOM 0 HA SER A 68 -17.170 5.850 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.269 4.789 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.843 5.154 -1.926 1.00 0.00 H new ATOM 0 HG SER A 68 -16.319 6.868 -2.272 1.00 0.00 H new ATOM 1042 N GLY A 69 -19.289 7.161 0.449 1.00 0.00 N ATOM 1043 CA GLY A 69 -20.591 7.803 0.466 1.00 0.00 C ATOM 1044 C GLY A 69 -20.493 9.311 0.575 1.00 0.00 C ATOM 1045 O GLY A 69 -19.580 9.852 1.200 1.00 0.00 O ATOM 0 H GLY A 69 -18.501 7.785 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -21.133 7.542 -0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.171 7.418 1.305 1.00 0.00 H new ATOM 1049 N PRO A 70 -21.450 10.017 -0.046 1.00 0.00 N ATOM 1050 CA PRO A 70 -21.489 11.482 -0.031 1.00 0.00 C ATOM 1051 C PRO A 70 -21.834 12.039 1.346 1.00 0.00 C ATOM 1052 O PRO A 70 -22.814 11.624 1.965 1.00 0.00 O ATOM 1053 CB PRO A 70 -22.593 11.818 -1.037 1.00 0.00 C ATOM 1054 CG PRO A 70 -23.473 10.616 -1.049 1.00 0.00 C ATOM 1055 CD PRO A 70 -22.568 9.439 -0.810 1.00 0.00 C ATOM 0 HA PRO A 70 -20.521 11.918 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -23.144 12.709 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -22.180 12.016 -2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -24.238 10.684 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.992 10.522 -2.003 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -23.073 8.652 -0.250 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.228 8.997 -1.747 1.00 0.00 H new ATOM 1063 N SER A 71 -21.025 12.981 1.818 1.00 0.00 N ATOM 1064 CA SER A 71 -21.243 13.592 3.124 1.00 0.00 C ATOM 1065 C SER A 71 -21.371 15.108 3.000 1.00 0.00 C ATOM 1066 O SER A 71 -20.838 15.712 2.069 1.00 0.00 O ATOM 1067 CB SER A 71 -20.096 13.242 4.074 1.00 0.00 C ATOM 1068 OG SER A 71 -18.954 14.037 3.808 1.00 0.00 O ATOM 0 H SER A 71 -20.212 13.338 1.316 1.00 0.00 H new ATOM 0 HA SER A 71 -22.174 13.198 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 71 -20.415 13.392 5.105 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.841 12.187 3.969 1.00 0.00 H new ATOM 0 HG SER A 71 -18.235 13.796 4.429 1.00 0.00 H new ATOM 1074 N SER A 72 -22.082 15.715 3.945 1.00 0.00 N ATOM 1075 CA SER A 72 -22.284 17.159 3.940 1.00 0.00 C ATOM 1076 C SER A 72 -22.602 17.667 5.343 1.00 0.00 C ATOM 1077 O SER A 72 -23.154 16.941 6.169 1.00 0.00 O ATOM 1078 CB SER A 72 -23.415 17.534 2.981 1.00 0.00 C ATOM 1079 OG SER A 72 -23.097 17.166 1.650 1.00 0.00 O ATOM 0 H SER A 72 -22.528 15.229 4.723 1.00 0.00 H new ATOM 0 HA SER A 72 -21.361 17.629 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 72 -24.336 17.039 3.288 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.598 18.607 3.031 1.00 0.00 H new ATOM 0 HG SER A 72 -22.210 16.750 1.629 1.00 0.00 H new ATOM 1085 N GLY A 73 -22.250 18.922 5.605 1.00 0.00 N ATOM 1086 CA GLY A 73 -22.505 19.508 6.909 1.00 0.00 C ATOM 1087 C GLY A 73 -21.344 20.347 7.405 1.00 0.00 C ATOM 1088 O GLY A 73 -20.199 19.913 7.290 1.00 0.00 O ATOM 0 H GLY A 73 -21.793 19.544 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.400 20.127 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -22.708 18.714 7.627 1.00 0.00 H new TER 1092 GLY A 73 HETATM 1093 ZN ZN A 201 3.312 11.678 5.095 1.00 0.00 ZN