USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 70 ASN : amide:sc= -6.25! K(o=-8.7!,f=-1.6) USER MOD Set 1.2: A 72 ASN : amide:sc= -2.47 K(o=-8.7,f=-6.1!) USER MOD Set 2.1: A 13 ASN : amide:sc= -4.91! C(o=-4.9!,f=-3.4!) USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= -0.0415 USER MOD Set 3.1: A 9 THR OG1 : rot 160:sc= -0.334 USER MOD Set 3.2: A 11 ASN : amide:sc= -1 K(o=-1.3,f=-2!) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.00267) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.354 (180deg=-0.547) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 155:sc= -1.14 (180deg=-3.25!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 ASN : amide:sc= -1.74 K(o=-1.7,f=-3) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -37:sc= 0.0555 USER MOD Single : A 30 THR OG1 : rot -113:sc= 1.44 USER MOD Single : A 31 TYR OH : rot 165:sc= -0.472 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.62! X(o=-1.6!,f=-1.2) USER MOD Single : A 38 GLN : amide:sc= -2.75 K(o=-2.8,f=-1.9) USER MOD Single : A 43 ASN : amide:sc= -1.02 K(o=-1,f=-2.6) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -1.47 (180deg=-4.1!) USER MOD Single : A 53 SER OG : rot -31:sc= 0.201! USER MOD Single : A 56 TYR OH : rot 100:sc= -1.85 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= -3.46! (180deg=-4.3) USER MOD Single : A 68 ASN : amide:sc= -2.5 K(o=-2.5,f=-2) USER MOD Single : A 77 GLN : amide:sc= -0.3 K(o=-0.3,f=-6.6!) USER MOD Single : A 80 ASN : amide:sc= -3.66! C(o=-3.7!,f=-2.2!) USER MOD Single : A 81 THR OG1 : rot -120:sc= -0.716 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.12) USER MOD Single : A 85 SER OG : rot 128:sc= -0.665 USER MOD Single : A 86 ASN : amide:sc=-0.00557 K(o=-0.0056,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.992 -1.351 -1.395 1.00 1.00 N ATOM 2 CA MET A 1 5.758 -0.856 -2.572 1.00 1.00 C ATOM 3 C MET A 1 5.476 0.622 -2.769 1.00 1.00 C ATOM 4 O MET A 1 6.063 1.260 -3.645 1.00 1.00 O ATOM 5 CB MET A 1 5.331 -1.630 -3.823 1.00 1.00 C ATOM 6 CG MET A 1 5.788 -3.083 -3.704 1.00 1.00 C ATOM 7 SD MET A 1 5.278 -3.999 -5.177 1.00 1.00 S ATOM 8 CE MET A 1 5.752 -5.643 -4.588 1.00 1.00 C ATOM 0 H1 MET A 1 5.321 -2.305 -1.143 1.00 1.00 H new ATOM 0 H2 MET A 1 5.140 -0.710 -0.590 1.00 1.00 H new ATOM 0 H3 MET A 1 3.979 -1.384 -1.629 1.00 1.00 H new ATOM 0 HA MET A 1 6.824 -1.004 -2.402 1.00 1.00 H new ATOM 0 HB2 MET A 1 4.248 -1.587 -3.938 1.00 1.00 H new ATOM 0 HB3 MET A 1 5.765 -1.173 -4.712 1.00 1.00 H new ATOM 0 HG2 MET A 1 6.871 -3.127 -3.593 1.00 1.00 H new ATOM 0 HG3 MET A 1 5.358 -3.539 -2.812 1.00 1.00 H new ATOM 0 HE1 MET A 1 5.673 -6.359 -5.406 1.00 1.00 H new ATOM 0 HE2 MET A 1 6.780 -5.617 -4.226 1.00 1.00 H new ATOM 0 HE3 MET A 1 5.089 -5.944 -3.777 1.00 1.00 H new ATOM 20 N GLU A 2 4.569 1.168 -1.952 1.00 1.00 N ATOM 21 CA GLU A 2 4.207 2.589 -2.050 1.00 1.00 C ATOM 22 C GLU A 2 4.746 3.348 -0.849 1.00 1.00 C ATOM 23 O GLU A 2 4.237 3.206 0.264 1.00 1.00 O ATOM 24 CB GLU A 2 2.676 2.740 -2.109 1.00 1.00 C ATOM 25 CG GLU A 2 2.300 4.177 -2.513 1.00 1.00 C ATOM 26 CD GLU A 2 2.632 4.418 -3.987 1.00 1.00 C ATOM 27 OE1 GLU A 2 2.987 3.464 -4.661 1.00 1.00 O ATOM 28 OE2 GLU A 2 2.525 5.553 -4.419 1.00 1.00 O ATOM 0 H GLU A 2 4.075 0.655 -1.222 1.00 1.00 H new ATOM 0 HA GLU A 2 4.644 3.000 -2.960 1.00 1.00 H new ATOM 0 HB2 GLU A 2 2.261 2.032 -2.826 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.242 2.502 -1.138 1.00 1.00 H new ATOM 0 HG2 GLU A 2 1.237 4.344 -2.341 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.840 4.890 -1.890 1.00 1.00 H new ATOM 35 N ILE A 3 5.794 4.141 -1.067 1.00 1.00 N ATOM 36 CA ILE A 3 6.400 4.893 0.027 1.00 1.00 C ATOM 37 C ILE A 3 5.329 5.632 0.822 1.00 1.00 C ATOM 38 O ILE A 3 4.361 6.138 0.259 1.00 1.00 O ATOM 39 CB ILE A 3 7.409 5.904 -0.533 1.00 1.00 C ATOM 40 CG1 ILE A 3 8.502 5.155 -1.307 1.00 1.00 C ATOM 41 CG2 ILE A 3 8.046 6.703 0.620 1.00 1.00 C ATOM 42 CD1 ILE A 3 9.398 6.165 -2.025 1.00 1.00 C ATOM 0 H ILE A 3 6.235 4.278 -1.977 1.00 1.00 H new ATOM 0 HA ILE A 3 6.912 4.193 0.688 1.00 1.00 H new ATOM 0 HB ILE A 3 6.895 6.594 -1.202 1.00 1.00 H new ATOM 0 HG12 ILE A 3 9.095 4.547 -0.624 1.00 1.00 H new ATOM 0 HG13 ILE A 3 8.051 4.475 -2.029 1.00 1.00 H new ATOM 0 HG21 ILE A 3 8.761 7.419 0.215 1.00 1.00 H new ATOM 0 HG22 ILE A 3 7.268 7.237 1.166 1.00 1.00 H new ATOM 0 HG23 ILE A 3 8.560 6.020 1.296 1.00 1.00 H new ATOM 0 HD11 ILE A 3 10.175 5.635 -2.576 1.00 1.00 H new ATOM 0 HD12 ILE A 3 8.799 6.754 -2.719 1.00 1.00 H new ATOM 0 HD13 ILE A 3 9.860 6.827 -1.292 1.00 1.00 H new ATOM 54 N ILE A 4 5.529 5.682 2.141 1.00 1.00 N ATOM 55 CA ILE A 4 4.592 6.361 3.047 1.00 1.00 C ATOM 56 C ILE A 4 5.291 7.484 3.798 1.00 1.00 C ATOM 57 O ILE A 4 4.685 8.519 4.075 1.00 1.00 O ATOM 58 CB ILE A 4 4.000 5.358 4.039 1.00 1.00 C ATOM 59 CG1 ILE A 4 3.320 4.207 3.262 1.00 1.00 C ATOM 60 CG2 ILE A 4 2.983 6.058 4.953 1.00 1.00 C ATOM 61 CD1 ILE A 4 2.171 4.712 2.366 1.00 1.00 C ATOM 0 H ILE A 4 6.332 5.261 2.609 1.00 1.00 H new ATOM 0 HA ILE A 4 3.787 6.791 2.451 1.00 1.00 H new ATOM 0 HB ILE A 4 4.797 4.949 4.659 1.00 1.00 H new ATOM 0 HG12 ILE A 4 4.062 3.697 2.647 1.00 1.00 H new ATOM 0 HG13 ILE A 4 2.933 3.473 3.968 1.00 1.00 H new ATOM 0 HG21 ILE A 4 2.567 5.335 5.655 1.00 1.00 H new ATOM 0 HG22 ILE A 4 3.479 6.857 5.505 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.180 6.479 4.348 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.723 3.869 1.840 1.00 1.00 H new ATOM 0 HD12 ILE A 4 1.415 5.198 2.983 1.00 1.00 H new ATOM 0 HD13 ILE A 4 2.562 5.426 1.641 1.00 1.00 H new ATOM 73 N ALA A 5 6.563 7.279 4.127 1.00 1.00 N ATOM 74 CA ALA A 5 7.317 8.291 4.851 1.00 1.00 C ATOM 75 C ALA A 5 8.776 7.899 4.928 1.00 1.00 C ATOM 76 O ALA A 5 9.176 6.841 4.443 1.00 1.00 O ATOM 77 CB ALA A 5 6.749 8.465 6.264 1.00 1.00 C ATOM 0 H ALA A 5 7.086 6.432 3.906 1.00 1.00 H new ATOM 0 HA ALA A 5 7.232 9.237 4.317 1.00 1.00 H new ATOM 0 HB1 ALA A 5 7.322 9.225 6.795 1.00 1.00 H new ATOM 0 HB2 ALA A 5 5.706 8.775 6.201 1.00 1.00 H new ATOM 0 HB3 ALA A 5 6.815 7.519 6.802 1.00 1.00 H new ATOM 83 N ILE A 6 9.573 8.770 5.535 1.00 1.00 N ATOM 84 CA ILE A 6 11.005 8.535 5.676 1.00 1.00 C ATOM 85 C ILE A 6 11.503 9.053 7.020 1.00 1.00 C ATOM 86 O ILE A 6 11.129 10.140 7.460 1.00 1.00 O ATOM 87 CB ILE A 6 11.751 9.229 4.525 1.00 1.00 C ATOM 88 CG1 ILE A 6 11.351 10.712 4.462 1.00 1.00 C ATOM 89 CG2 ILE A 6 11.412 8.550 3.191 1.00 1.00 C ATOM 90 CD1 ILE A 6 12.154 11.424 3.369 1.00 1.00 C ATOM 0 H ILE A 6 9.250 9.649 5.939 1.00 1.00 H new ATOM 0 HA ILE A 6 11.196 7.463 5.635 1.00 1.00 H new ATOM 0 HB ILE A 6 12.823 9.150 4.704 1.00 1.00 H new ATOM 0 HG12 ILE A 6 10.284 10.801 4.258 1.00 1.00 H new ATOM 0 HG13 ILE A 6 11.532 11.187 5.426 1.00 1.00 H new ATOM 0 HG21 ILE A 6 11.946 9.050 2.382 1.00 1.00 H new ATOM 0 HG22 ILE A 6 11.710 7.502 3.230 1.00 1.00 H new ATOM 0 HG23 ILE A 6 10.339 8.615 3.012 1.00 1.00 H new ATOM 0 HD11 ILE A 6 11.865 12.474 3.331 1.00 1.00 H new ATOM 0 HD12 ILE A 6 13.218 11.349 3.592 1.00 1.00 H new ATOM 0 HD13 ILE A 6 11.951 10.956 2.405 1.00 1.00 H new ATOM 102 N SER A 7 12.350 8.255 7.675 1.00 1.00 N ATOM 103 CA SER A 7 12.916 8.624 8.980 1.00 1.00 C ATOM 104 C SER A 7 14.427 8.779 8.863 1.00 1.00 C ATOM 105 O SER A 7 15.149 7.805 8.657 1.00 1.00 O ATOM 106 CB SER A 7 12.585 7.545 10.015 1.00 1.00 C ATOM 107 OG SER A 7 11.180 7.519 10.231 1.00 1.00 O ATOM 0 H SER A 7 12.660 7.349 7.325 1.00 1.00 H new ATOM 0 HA SER A 7 12.483 9.571 9.301 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.929 6.572 9.666 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.105 7.750 10.951 1.00 1.00 H new ATOM 0 HG SER A 7 10.963 6.828 10.892 1.00 1.00 H new ATOM 113 N GLU A 8 14.900 10.018 9.004 1.00 1.00 N ATOM 114 CA GLU A 8 16.331 10.306 8.924 1.00 1.00 C ATOM 115 C GLU A 8 16.963 10.057 10.277 1.00 1.00 C ATOM 116 O GLU A 8 16.660 10.743 11.252 1.00 1.00 O ATOM 117 CB GLU A 8 16.553 11.762 8.511 1.00 1.00 C ATOM 118 CG GLU A 8 16.019 11.979 7.089 1.00 1.00 C ATOM 119 CD GLU A 8 14.495 11.921 7.082 1.00 1.00 C ATOM 120 OE1 GLU A 8 13.906 12.127 8.132 1.00 1.00 O ATOM 121 OE2 GLU A 8 13.937 11.671 6.027 1.00 1.00 O ATOM 0 H GLU A 8 14.314 10.836 9.174 1.00 1.00 H new ATOM 0 HA GLU A 8 16.789 9.657 8.178 1.00 1.00 H new ATOM 0 HB2 GLU A 8 16.045 12.430 9.207 1.00 1.00 H new ATOM 0 HB3 GLU A 8 17.615 12.005 8.553 1.00 1.00 H new ATOM 0 HG2 GLU A 8 16.355 12.944 6.710 1.00 1.00 H new ATOM 0 HG3 GLU A 8 16.422 11.217 6.422 1.00 1.00 H new ATOM 128 N THR A 9 17.829 9.054 10.341 1.00 1.00 N ATOM 129 CA THR A 9 18.485 8.693 11.590 1.00 1.00 C ATOM 130 C THR A 9 19.699 9.590 11.830 1.00 1.00 C ATOM 131 O THR A 9 20.039 10.418 10.985 1.00 1.00 O ATOM 132 CB THR A 9 18.927 7.199 11.563 1.00 1.00 C ATOM 133 OG1 THR A 9 20.341 7.114 11.419 1.00 1.00 O ATOM 134 CG2 THR A 9 18.270 6.461 10.390 1.00 1.00 C ATOM 0 H THR A 9 18.093 8.476 9.543 1.00 1.00 H new ATOM 0 HA THR A 9 17.774 8.834 12.404 1.00 1.00 H new ATOM 0 HB THR A 9 18.617 6.737 12.500 1.00 1.00 H new ATOM 0 HG1 THR A 9 20.648 6.232 11.717 1.00 1.00 H new ATOM 0 HG21 THR A 9 18.592 5.420 10.389 1.00 1.00 H new ATOM 0 HG22 THR A 9 17.186 6.506 10.493 1.00 1.00 H new ATOM 0 HG23 THR A 9 18.565 6.932 9.453 1.00 1.00 H new ATOM 142 N PRO A 10 20.371 9.430 12.948 1.00 1.00 N ATOM 143 CA PRO A 10 21.584 10.240 13.271 1.00 1.00 C ATOM 144 C PRO A 10 22.738 9.968 12.304 1.00 1.00 C ATOM 145 O PRO A 10 23.897 10.222 12.636 1.00 1.00 O ATOM 146 CB PRO A 10 21.957 9.808 14.715 1.00 1.00 C ATOM 147 CG PRO A 10 20.736 9.118 15.248 1.00 1.00 C ATOM 148 CD PRO A 10 20.063 8.478 14.034 1.00 1.00 C ATOM 0 HA PRO A 10 21.389 11.309 13.183 1.00 1.00 H new ATOM 0 HB2 PRO A 10 22.818 9.140 14.716 1.00 1.00 H new ATOM 0 HB3 PRO A 10 22.221 10.670 15.328 1.00 1.00 H new ATOM 0 HG2 PRO A 10 21.003 8.366 15.990 1.00 1.00 H new ATOM 0 HG3 PRO A 10 20.068 9.826 15.738 1.00 1.00 H new ATOM 0 HD2 PRO A 10 20.463 7.485 13.827 1.00 1.00 H new ATOM 0 HD3 PRO A 10 18.989 8.365 14.180 1.00 1.00 H new ATOM 156 N ASN A 11 22.430 9.447 11.114 1.00 1.00 N ATOM 157 CA ASN A 11 23.461 9.146 10.117 1.00 1.00 C ATOM 158 C ASN A 11 23.456 10.210 9.028 1.00 1.00 C ATOM 159 O ASN A 11 22.688 11.170 9.094 1.00 1.00 O ATOM 160 CB ASN A 11 23.179 7.781 9.495 1.00 1.00 C ATOM 161 CG ASN A 11 23.349 6.686 10.545 1.00 1.00 C ATOM 162 OD1 ASN A 11 24.044 6.884 11.542 1.00 1.00 O ATOM 163 ND2 ASN A 11 22.746 5.538 10.385 1.00 1.00 N ATOM 0 H ASN A 11 21.479 9.225 10.818 1.00 1.00 H new ATOM 0 HA ASN A 11 24.437 9.135 10.602 1.00 1.00 H new ATOM 0 HB2 ASN A 11 22.166 7.757 9.093 1.00 1.00 H new ATOM 0 HB3 ASN A 11 23.857 7.605 8.660 1.00 1.00 H new ATOM 0 HD21 ASN A 11 22.851 4.805 11.086 1.00 1.00 H new ATOM 0 HD22 ASN A 11 22.171 5.375 9.559 1.00 1.00 H new ATOM 170 N HIS A 12 24.327 10.038 8.031 1.00 1.00 N ATOM 171 CA HIS A 12 24.436 10.990 6.919 1.00 1.00 C ATOM 172 C HIS A 12 23.972 10.376 5.599 1.00 1.00 C ATOM 173 O HIS A 12 23.107 10.927 4.917 1.00 1.00 O ATOM 174 CB HIS A 12 25.892 11.429 6.784 1.00 1.00 C ATOM 175 CG HIS A 12 26.332 12.080 8.066 1.00 1.00 C ATOM 176 ND1 HIS A 12 25.910 13.348 8.433 1.00 1.00 N ATOM 177 CD2 HIS A 12 27.155 11.651 9.078 1.00 1.00 C ATOM 178 CE1 HIS A 12 26.476 13.636 9.620 1.00 1.00 C ATOM 179 NE2 HIS A 12 27.244 12.635 10.058 1.00 1.00 N ATOM 0 H HIS A 12 24.969 9.248 7.969 1.00 1.00 H new ATOM 0 HA HIS A 12 23.793 11.842 7.137 1.00 1.00 H new ATOM 0 HB2 HIS A 12 26.525 10.569 6.563 1.00 1.00 H new ATOM 0 HB3 HIS A 12 25.999 12.126 5.953 1.00 1.00 H new ATOM 0 HD2 HIS A 12 27.657 10.695 9.109 1.00 1.00 H new ATOM 0 HE1 HIS A 12 26.327 14.563 10.153 1.00 1.00 H new ATOM 0 HE2 HIS A 12 27.781 12.599 10.925 1.00 1.00 H new ATOM 188 N ASN A 13 24.573 9.238 5.232 1.00 1.00 N ATOM 189 CA ASN A 13 24.244 8.555 3.973 1.00 1.00 C ATOM 190 C ASN A 13 23.313 7.373 4.212 1.00 1.00 C ATOM 191 O ASN A 13 22.989 6.640 3.278 1.00 1.00 O ATOM 192 CB ASN A 13 25.529 8.062 3.308 1.00 1.00 C ATOM 193 CG ASN A 13 26.302 7.160 4.264 1.00 1.00 C ATOM 194 OD1 ASN A 13 27.409 7.500 4.680 1.00 1.00 O ATOM 195 ND2 ASN A 13 25.780 6.024 4.645 1.00 1.00 N ATOM 0 H ASN A 13 25.289 8.770 5.788 1.00 1.00 H new ATOM 0 HA ASN A 13 23.735 9.267 3.323 1.00 1.00 H new ATOM 0 HB2 ASN A 13 25.289 7.517 2.395 1.00 1.00 H new ATOM 0 HB3 ASN A 13 26.147 8.912 3.018 1.00 1.00 H new ATOM 0 HD21 ASN A 13 26.290 5.418 5.288 1.00 1.00 H new ATOM 0 HD22 ASN A 13 24.862 5.743 4.300 1.00 1.00 H new ATOM 202 N THR A 14 22.883 7.186 5.466 1.00 1.00 N ATOM 203 CA THR A 14 21.982 6.077 5.822 1.00 1.00 C ATOM 204 C THR A 14 20.654 6.633 6.312 1.00 1.00 C ATOM 205 O THR A 14 20.616 7.525 7.161 1.00 1.00 O ATOM 206 CB THR A 14 22.616 5.215 6.922 1.00 1.00 C ATOM 207 OG1 THR A 14 23.939 4.865 6.544 1.00 1.00 O ATOM 208 CG2 THR A 14 21.792 3.940 7.122 1.00 1.00 C ATOM 0 H THR A 14 23.142 7.785 6.250 1.00 1.00 H new ATOM 0 HA THR A 14 21.814 5.460 4.939 1.00 1.00 H new ATOM 0 HB THR A 14 22.637 5.781 7.854 1.00 1.00 H new ATOM 0 HG1 THR A 14 24.346 4.316 7.247 1.00 1.00 H new ATOM 0 HG21 THR A 14 22.247 3.332 7.904 1.00 1.00 H new ATOM 0 HG22 THR A 14 20.776 4.206 7.414 1.00 1.00 H new ATOM 0 HG23 THR A 14 21.766 3.374 6.191 1.00 1.00 H new ATOM 216 N MET A 15 19.562 6.098 5.772 1.00 1.00 N ATOM 217 CA MET A 15 18.219 6.535 6.151 1.00 1.00 C ATOM 218 C MET A 15 17.262 5.359 6.100 1.00 1.00 C ATOM 219 O MET A 15 17.478 4.404 5.352 1.00 1.00 O ATOM 220 CB MET A 15 17.722 7.633 5.211 1.00 1.00 C ATOM 221 CG MET A 15 18.634 8.857 5.328 1.00 1.00 C ATOM 222 SD MET A 15 17.942 10.230 4.375 1.00 1.00 S ATOM 223 CE MET A 15 19.288 11.403 4.676 1.00 1.00 C ATOM 0 H MET A 15 19.580 5.359 5.069 1.00 1.00 H new ATOM 0 HA MET A 15 18.261 6.932 7.165 1.00 1.00 H new ATOM 0 HB2 MET A 15 17.713 7.270 4.183 1.00 1.00 H new ATOM 0 HB3 MET A 15 16.697 7.905 5.462 1.00 1.00 H new ATOM 0 HG2 MET A 15 18.739 9.145 6.374 1.00 1.00 H new ATOM 0 HG3 MET A 15 19.632 8.615 4.962 1.00 1.00 H new ATOM 0 HE1 MET A 15 19.321 12.134 3.868 1.00 1.00 H new ATOM 0 HE2 MET A 15 19.119 11.915 5.623 1.00 1.00 H new ATOM 0 HE3 MET A 15 20.236 10.866 4.718 1.00 1.00 H new ATOM 233 N LYS A 16 16.200 5.435 6.898 1.00 1.00 N ATOM 234 CA LYS A 16 15.189 4.376 6.947 1.00 1.00 C ATOM 235 C LYS A 16 13.920 4.843 6.253 1.00 1.00 C ATOM 236 O LYS A 16 13.467 5.968 6.466 1.00 1.00 O ATOM 237 CB LYS A 16 14.873 4.029 8.410 1.00 1.00 C ATOM 238 CG LYS A 16 14.078 2.718 8.484 1.00 1.00 C ATOM 239 CD LYS A 16 13.939 2.273 9.946 1.00 1.00 C ATOM 240 CE LYS A 16 13.092 3.278 10.741 1.00 1.00 C ATOM 241 NZ LYS A 16 12.637 2.638 12.006 1.00 1.00 N ATOM 0 H LYS A 16 16.015 6.220 7.522 1.00 1.00 H new ATOM 0 HA LYS A 16 15.574 3.492 6.439 1.00 1.00 H new ATOM 0 HB2 LYS A 16 15.799 3.934 8.977 1.00 1.00 H new ATOM 0 HB3 LYS A 16 14.301 4.836 8.867 1.00 1.00 H new ATOM 0 HG2 LYS A 16 13.091 2.855 8.041 1.00 1.00 H new ATOM 0 HG3 LYS A 16 14.582 1.944 7.905 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.477 1.287 9.989 1.00 1.00 H new ATOM 0 HD3 LYS A 16 14.926 2.183 10.399 1.00 1.00 H new ATOM 0 HE2 LYS A 16 13.676 4.172 10.961 1.00 1.00 H new ATOM 0 HE3 LYS A 16 12.233 3.596 10.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 12.063 3.313 12.550 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 12.066 1.798 11.784 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.464 2.355 12.569 1.00 1.00 H new ATOM 255 N VAL A 17 13.340 3.963 5.436 1.00 1.00 N ATOM 256 CA VAL A 17 12.097 4.279 4.719 1.00 1.00 C ATOM 257 C VAL A 17 10.950 3.451 5.287 1.00 1.00 C ATOM 258 O VAL A 17 10.991 2.221 5.276 1.00 1.00 O ATOM 259 CB VAL A 17 12.274 3.977 3.235 1.00 1.00 C ATOM 260 CG1 VAL A 17 10.986 4.318 2.474 1.00 1.00 C ATOM 261 CG2 VAL A 17 13.431 4.811 2.683 1.00 1.00 C ATOM 0 H VAL A 17 13.706 3.029 5.253 1.00 1.00 H new ATOM 0 HA VAL A 17 11.865 5.337 4.844 1.00 1.00 H new ATOM 0 HB VAL A 17 12.492 2.917 3.107 1.00 1.00 H new ATOM 0 HG11 VAL A 17 11.121 4.099 1.415 1.00 1.00 H new ATOM 0 HG12 VAL A 17 10.163 3.721 2.866 1.00 1.00 H new ATOM 0 HG13 VAL A 17 10.758 5.376 2.600 1.00 1.00 H new ATOM 0 HG21 VAL A 17 13.560 4.597 1.622 1.00 1.00 H new ATOM 0 HG22 VAL A 17 13.212 5.870 2.816 1.00 1.00 H new ATOM 0 HG23 VAL A 17 14.347 4.561 3.218 1.00 1.00 H new ATOM 271 N SER A 18 9.924 4.141 5.786 1.00 1.00 N ATOM 272 CA SER A 18 8.754 3.482 6.367 1.00 1.00 C ATOM 273 C SER A 18 7.645 3.368 5.334 1.00 1.00 C ATOM 274 O SER A 18 7.265 4.355 4.704 1.00 1.00 O ATOM 275 CB SER A 18 8.256 4.302 7.557 1.00 1.00 C ATOM 276 OG SER A 18 6.984 3.814 7.967 1.00 1.00 O ATOM 0 H SER A 18 9.880 5.160 5.799 1.00 1.00 H new ATOM 0 HA SER A 18 9.035 2.481 6.694 1.00 1.00 H new ATOM 0 HB2 SER A 18 8.966 4.236 8.381 1.00 1.00 H new ATOM 0 HB3 SER A 18 8.183 5.354 7.283 1.00 1.00 H new ATOM 0 HG SER A 18 6.664 4.337 8.731 1.00 1.00 H new ATOM 282 N LEU A 19 7.131 2.153 5.155 1.00 1.00 N ATOM 283 CA LEU A 19 6.068 1.906 4.189 1.00 1.00 C ATOM 284 C LEU A 19 5.412 0.557 4.454 1.00 1.00 C ATOM 285 O LEU A 19 6.035 -0.348 4.996 1.00 1.00 O ATOM 286 CB LEU A 19 6.630 1.953 2.753 1.00 1.00 C ATOM 287 CG LEU A 19 7.531 0.729 2.462 1.00 1.00 C ATOM 288 CD1 LEU A 19 8.079 0.826 1.033 1.00 1.00 C ATOM 289 CD2 LEU A 19 8.695 0.667 3.472 1.00 1.00 C ATOM 0 H LEU A 19 7.435 1.325 5.668 1.00 1.00 H new ATOM 0 HA LEU A 19 5.314 2.686 4.296 1.00 1.00 H new ATOM 0 HB2 LEU A 19 5.807 1.980 2.039 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.203 2.870 2.614 1.00 1.00 H new ATOM 0 HG LEU A 19 6.939 -0.181 2.561 1.00 1.00 H new ATOM 0 HD11 LEU A 19 8.714 -0.036 0.827 1.00 1.00 H new ATOM 0 HD12 LEU A 19 7.250 0.843 0.326 1.00 1.00 H new ATOM 0 HD13 LEU A 19 8.663 1.740 0.929 1.00 1.00 H new ATOM 0 HD21 LEU A 19 9.320 -0.199 3.254 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.293 1.575 3.394 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.296 0.582 4.483 1.00 1.00 H new ATOM 301 N SER A 20 4.159 0.415 4.045 1.00 1.00 N ATOM 302 CA SER A 20 3.433 -0.839 4.228 1.00 1.00 C ATOM 303 C SER A 20 3.589 -1.709 2.993 1.00 1.00 C ATOM 304 O SER A 20 2.896 -1.515 1.994 1.00 1.00 O ATOM 305 CB SER A 20 1.954 -0.551 4.455 1.00 1.00 C ATOM 306 OG SER A 20 1.267 -1.777 4.667 1.00 1.00 O ATOM 0 H SER A 20 3.623 1.150 3.585 1.00 1.00 H new ATOM 0 HA SER A 20 3.840 -1.360 5.095 1.00 1.00 H new ATOM 0 HB2 SER A 20 1.827 0.105 5.316 1.00 1.00 H new ATOM 0 HB3 SER A 20 1.536 -0.030 3.593 1.00 1.00 H new ATOM 0 HG SER A 20 0.315 -1.597 4.815 1.00 1.00 H new ATOM 312 N GLU A 21 4.506 -2.668 3.061 1.00 1.00 N ATOM 313 CA GLU A 21 4.749 -3.566 1.931 1.00 1.00 C ATOM 314 C GLU A 21 3.720 -4.716 1.940 1.00 1.00 C ATOM 315 O GLU A 21 3.234 -5.105 3.002 1.00 1.00 O ATOM 316 CB GLU A 21 6.188 -4.139 2.006 1.00 1.00 C ATOM 317 CG GLU A 21 6.660 -4.188 3.458 1.00 1.00 C ATOM 318 CD GLU A 21 5.634 -4.912 4.331 1.00 1.00 C ATOM 319 OE1 GLU A 21 5.651 -6.131 4.346 1.00 1.00 O ATOM 320 OE2 GLU A 21 4.843 -4.232 4.964 1.00 1.00 O ATOM 0 H GLU A 21 5.090 -2.845 3.878 1.00 1.00 H new ATOM 0 HA GLU A 21 4.642 -3.003 1.004 1.00 1.00 H new ATOM 0 HB2 GLU A 21 6.212 -5.139 1.574 1.00 1.00 H new ATOM 0 HB3 GLU A 21 6.865 -3.521 1.416 1.00 1.00 H new ATOM 0 HG2 GLU A 21 7.621 -4.699 3.517 1.00 1.00 H new ATOM 0 HG3 GLU A 21 6.814 -3.175 3.831 1.00 1.00 H new ATOM 327 N PRO A 22 3.387 -5.268 0.789 1.00 1.00 N ATOM 328 CA PRO A 22 2.404 -6.393 0.690 1.00 1.00 C ATOM 329 C PRO A 22 2.969 -7.701 1.252 1.00 1.00 C ATOM 330 O PRO A 22 2.220 -8.630 1.554 1.00 1.00 O ATOM 331 CB PRO A 22 2.130 -6.500 -0.826 1.00 1.00 C ATOM 332 CG PRO A 22 3.378 -5.985 -1.474 1.00 1.00 C ATOM 333 CD PRO A 22 3.908 -4.886 -0.541 1.00 1.00 C ATOM 0 HA PRO A 22 1.502 -6.210 1.274 1.00 1.00 H new ATOM 0 HB2 PRO A 22 1.927 -7.530 -1.120 1.00 1.00 H new ATOM 0 HB3 PRO A 22 1.261 -5.909 -1.114 1.00 1.00 H new ATOM 0 HG2 PRO A 22 4.112 -6.781 -1.598 1.00 1.00 H new ATOM 0 HG3 PRO A 22 3.168 -5.588 -2.467 1.00 1.00 H new ATOM 0 HD2 PRO A 22 4.997 -4.847 -0.547 1.00 1.00 H new ATOM 0 HD3 PRO A 22 3.552 -3.901 -0.842 1.00 1.00 H new ATOM 341 N ARG A 23 4.290 -7.776 1.371 1.00 1.00 N ATOM 342 CA ARG A 23 4.927 -8.987 1.876 1.00 1.00 C ATOM 343 C ARG A 23 4.593 -9.206 3.342 1.00 1.00 C ATOM 344 O ARG A 23 5.293 -8.721 4.230 1.00 1.00 O ATOM 345 CB ARG A 23 6.445 -8.897 1.697 1.00 1.00 C ATOM 346 CG ARG A 23 7.116 -10.254 2.008 1.00 1.00 C ATOM 347 CD ARG A 23 6.807 -11.288 0.905 1.00 1.00 C ATOM 348 NE ARG A 23 6.904 -10.668 -0.417 1.00 1.00 N ATOM 349 CZ ARG A 23 8.077 -10.522 -1.031 1.00 1.00 C ATOM 350 NH1 ARG A 23 9.163 -10.963 -0.461 1.00 1.00 N ATOM 351 NH2 ARG A 23 8.139 -9.932 -2.192 1.00 1.00 N ATOM 0 H ARG A 23 4.934 -7.023 1.128 1.00 1.00 H new ATOM 0 HA ARG A 23 4.546 -9.834 1.305 1.00 1.00 H new ATOM 0 HB2 ARG A 23 6.678 -8.597 0.675 1.00 1.00 H new ATOM 0 HB3 ARG A 23 6.848 -8.127 2.355 1.00 1.00 H new ATOM 0 HG2 ARG A 23 8.194 -10.120 2.094 1.00 1.00 H new ATOM 0 HG3 ARG A 23 6.763 -10.626 2.970 1.00 1.00 H new ATOM 0 HD2 ARG A 23 7.505 -12.123 0.974 1.00 1.00 H new ATOM 0 HD3 ARG A 23 5.807 -11.696 1.050 1.00 1.00 H new ATOM 0 HE ARG A 23 6.055 -10.341 -0.878 1.00 1.00 H new ATOM 0 HH11 ARG A 23 9.112 -11.417 0.451 1.00 1.00 H new ATOM 0 HH12 ARG A 23 10.064 -10.854 -0.927 1.00 1.00 H new ATOM 0 HH21 ARG A 23 7.288 -9.581 -2.632 1.00 1.00 H new ATOM 0 HH22 ARG A 23 9.038 -9.821 -2.660 1.00 1.00 H new ATOM 365 N GLN A 24 3.526 -9.960 3.590 1.00 1.00 N ATOM 366 CA GLN A 24 3.105 -10.263 4.955 1.00 1.00 C ATOM 367 C GLN A 24 3.808 -11.520 5.455 1.00 1.00 C ATOM 368 O GLN A 24 3.291 -12.216 6.329 1.00 1.00 O ATOM 369 CB GLN A 24 1.592 -10.486 4.998 1.00 1.00 C ATOM 370 CG GLN A 24 0.875 -9.173 4.693 1.00 1.00 C ATOM 371 CD GLN A 24 -0.631 -9.396 4.681 1.00 1.00 C ATOM 372 OE1 GLN A 24 -1.097 -10.503 4.952 1.00 1.00 O ATOM 373 NE2 GLN A 24 -1.422 -8.405 4.384 1.00 1.00 N ATOM 0 H GLN A 24 2.938 -10.372 2.866 1.00 1.00 H new ATOM 0 HA GLN A 24 3.369 -9.421 5.594 1.00 1.00 H new ATOM 0 HB2 GLN A 24 1.305 -11.247 4.272 1.00 1.00 H new ATOM 0 HB3 GLN A 24 1.296 -10.855 5.980 1.00 1.00 H new ATOM 0 HG2 GLN A 24 1.135 -8.424 5.441 1.00 1.00 H new ATOM 0 HG3 GLN A 24 1.202 -8.786 3.728 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -1.031 -7.490 4.160 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -2.432 -8.544 4.375 1.00 1.00 H new ATOM 382 N ASP A 25 4.993 -11.803 4.906 1.00 1.00 N ATOM 383 CA ASP A 25 5.773 -12.983 5.310 1.00 1.00 C ATOM 384 C ASP A 25 7.197 -12.582 5.667 1.00 1.00 C ATOM 385 O ASP A 25 8.045 -13.443 5.898 1.00 1.00 O ATOM 386 CB ASP A 25 5.815 -13.999 4.166 1.00 1.00 C ATOM 387 CG ASP A 25 6.503 -15.278 4.633 1.00 1.00 C ATOM 388 OD1 ASP A 25 6.536 -15.507 5.832 1.00 1.00 O ATOM 389 OD2 ASP A 25 6.989 -16.009 3.786 1.00 1.00 O ATOM 0 H ASP A 25 5.434 -11.235 4.183 1.00 1.00 H new ATOM 0 HA ASP A 25 5.294 -13.428 6.182 1.00 1.00 H new ATOM 0 HB2 ASP A 25 4.803 -14.222 3.829 1.00 1.00 H new ATOM 0 HB3 ASP A 25 6.349 -13.579 3.314 1.00 1.00 H new ATOM 394 N ASN A 26 7.449 -11.273 5.728 1.00 1.00 N ATOM 395 CA ASN A 26 8.776 -10.754 6.070 1.00 1.00 C ATOM 396 C ASN A 26 9.885 -11.605 5.455 1.00 1.00 C ATOM 397 O ASN A 26 10.459 -12.462 6.126 1.00 1.00 O ATOM 398 CB ASN A 26 8.948 -10.737 7.589 1.00 1.00 C ATOM 399 CG ASN A 26 7.798 -9.977 8.237 1.00 1.00 C ATOM 400 OD1 ASN A 26 7.366 -8.947 7.725 1.00 1.00 O ATOM 401 ND2 ASN A 26 7.272 -10.432 9.340 1.00 1.00 N ATOM 0 H ASN A 26 6.751 -10.552 5.545 1.00 1.00 H new ATOM 0 HA ASN A 26 8.851 -9.743 5.669 1.00 1.00 H new ATOM 0 HB2 ASN A 26 8.981 -11.757 7.971 1.00 1.00 H new ATOM 0 HB3 ASN A 26 9.897 -10.268 7.850 1.00 1.00 H new ATOM 0 HD21 ASN A 26 6.499 -9.933 9.780 1.00 1.00 H new ATOM 0 HD22 ASN A 26 7.633 -11.287 9.762 1.00 1.00 H new ATOM 408 N SER A 27 10.169 -11.375 4.177 1.00 1.00 N ATOM 409 CA SER A 27 11.204 -12.132 3.467 1.00 1.00 C ATOM 410 C SER A 27 12.458 -11.285 3.314 1.00 1.00 C ATOM 411 O SER A 27 12.398 -10.161 2.814 1.00 1.00 O ATOM 412 CB SER A 27 10.686 -12.537 2.087 1.00 1.00 C ATOM 413 OG SER A 27 11.592 -13.459 1.496 1.00 1.00 O ATOM 0 H SER A 27 9.699 -10.671 3.608 1.00 1.00 H new ATOM 0 HA SER A 27 11.448 -13.026 4.041 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.697 -12.987 2.175 1.00 1.00 H new ATOM 0 HB3 SER A 27 10.580 -11.657 1.453 1.00 1.00 H new ATOM 0 HG SER A 27 11.261 -13.722 0.612 1.00 1.00 H new ATOM 419 N PHE A 28 13.597 -11.821 3.754 1.00 1.00 N ATOM 420 CA PHE A 28 14.868 -11.100 3.673 1.00 1.00 C ATOM 421 C PHE A 28 15.654 -11.577 2.460 1.00 1.00 C ATOM 422 O PHE A 28 15.780 -12.778 2.221 1.00 1.00 O ATOM 423 CB PHE A 28 15.685 -11.358 4.946 1.00 1.00 C ATOM 424 CG PHE A 28 15.987 -12.840 5.073 1.00 1.00 C ATOM 425 CD1 PHE A 28 17.132 -13.375 4.465 1.00 1.00 C ATOM 426 CD2 PHE A 28 15.126 -13.679 5.798 1.00 1.00 C ATOM 427 CE1 PHE A 28 17.415 -14.742 4.579 1.00 1.00 C ATOM 428 CE2 PHE A 28 15.412 -15.045 5.912 1.00 1.00 C ATOM 429 CZ PHE A 28 16.555 -15.577 5.304 1.00 1.00 C ATOM 0 H PHE A 28 13.666 -12.750 4.169 1.00 1.00 H new ATOM 0 HA PHE A 28 14.670 -10.032 3.577 1.00 1.00 H new ATOM 0 HB2 PHE A 28 16.615 -10.790 4.914 1.00 1.00 H new ATOM 0 HB3 PHE A 28 15.132 -11.014 5.820 1.00 1.00 H new ATOM 0 HD1 PHE A 28 17.797 -12.732 3.908 1.00 1.00 H new ATOM 0 HD2 PHE A 28 14.243 -13.271 6.268 1.00 1.00 H new ATOM 0 HE1 PHE A 28 18.296 -15.152 4.108 1.00 1.00 H new ATOM 0 HE2 PHE A 28 14.749 -15.690 6.470 1.00 1.00 H new ATOM 0 HZ PHE A 28 16.774 -16.631 5.394 1.00 1.00 H new ATOM 439 N THR A 29 16.173 -10.623 1.693 1.00 1.00 N ATOM 440 CA THR A 29 16.937 -10.944 0.499 1.00 1.00 C ATOM 441 C THR A 29 17.668 -9.702 0.011 1.00 1.00 C ATOM 442 O THR A 29 17.055 -8.781 -0.531 1.00 1.00 O ATOM 443 CB THR A 29 15.993 -11.457 -0.605 1.00 1.00 C ATOM 444 OG1 THR A 29 15.103 -12.418 -0.058 1.00 1.00 O ATOM 445 CG2 THR A 29 16.808 -12.100 -1.730 1.00 1.00 C ATOM 0 H THR A 29 16.077 -9.625 1.879 1.00 1.00 H new ATOM 0 HA THR A 29 17.663 -11.721 0.737 1.00 1.00 H new ATOM 0 HB THR A 29 15.424 -10.619 -1.008 1.00 1.00 H new ATOM 0 HG1 THR A 29 15.576 -12.962 0.606 1.00 1.00 H new ATOM 0 HG21 THR A 29 16.134 -12.461 -2.507 1.00 1.00 H new ATOM 0 HG22 THR A 29 17.489 -11.362 -2.154 1.00 1.00 H new ATOM 0 HG23 THR A 29 17.382 -12.936 -1.331 1.00 1.00 H new ATOM 453 N THR A 30 18.980 -9.680 0.206 1.00 1.00 N ATOM 454 CA THR A 30 19.787 -8.544 -0.217 1.00 1.00 C ATOM 455 C THR A 30 20.097 -8.639 -1.707 1.00 1.00 C ATOM 456 O THR A 30 20.708 -9.602 -2.166 1.00 1.00 O ATOM 457 CB THR A 30 21.092 -8.528 0.577 1.00 1.00 C ATOM 458 OG1 THR A 30 20.803 -8.413 1.962 1.00 1.00 O ATOM 459 CG2 THR A 30 21.967 -7.349 0.133 1.00 1.00 C ATOM 0 H THR A 30 19.506 -10.432 0.652 1.00 1.00 H new ATOM 0 HA THR A 30 19.231 -7.625 -0.033 1.00 1.00 H new ATOM 0 HB THR A 30 21.632 -9.457 0.393 1.00 1.00 H new ATOM 0 HG1 THR A 30 21.122 -7.547 2.292 1.00 1.00 H new ATOM 0 HG21 THR A 30 22.894 -7.348 0.706 1.00 1.00 H new ATOM 0 HG22 THR A 30 22.196 -7.445 -0.928 1.00 1.00 H new ATOM 0 HG23 THR A 30 21.433 -6.414 0.305 1.00 1.00 H new ATOM 467 N TYR A 31 19.673 -7.619 -2.453 1.00 1.00 N ATOM 468 CA TYR A 31 19.902 -7.558 -3.899 1.00 1.00 C ATOM 469 C TYR A 31 20.221 -6.131 -4.334 1.00 1.00 C ATOM 470 O TYR A 31 19.966 -5.174 -3.602 1.00 1.00 O ATOM 471 CB TYR A 31 18.660 -8.081 -4.642 1.00 1.00 C ATOM 472 CG TYR A 31 17.407 -7.522 -3.986 1.00 1.00 C ATOM 473 CD1 TYR A 31 17.077 -6.165 -4.130 1.00 1.00 C ATOM 474 CD2 TYR A 31 16.575 -8.362 -3.225 1.00 1.00 C ATOM 475 CE1 TYR A 31 15.926 -5.657 -3.520 1.00 1.00 C ATOM 476 CE2 TYR A 31 15.426 -7.849 -2.617 1.00 1.00 C ATOM 477 CZ TYR A 31 15.101 -6.498 -2.766 1.00 1.00 C ATOM 478 OH TYR A 31 13.965 -5.995 -2.175 1.00 1.00 O ATOM 0 H TYR A 31 19.165 -6.818 -2.078 1.00 1.00 H new ATOM 0 HA TYR A 31 20.757 -8.186 -4.147 1.00 1.00 H new ATOM 0 HB2 TYR A 31 18.698 -7.785 -5.690 1.00 1.00 H new ATOM 0 HB3 TYR A 31 18.641 -9.171 -4.619 1.00 1.00 H new ATOM 0 HD1 TYR A 31 17.712 -5.514 -4.712 1.00 1.00 H new ATOM 0 HD2 TYR A 31 16.825 -9.406 -3.110 1.00 1.00 H new ATOM 0 HE1 TYR A 31 15.673 -4.613 -3.631 1.00 1.00 H new ATOM 0 HE2 TYR A 31 14.789 -8.496 -2.032 1.00 1.00 H new ATOM 0 HH TYR A 31 13.386 -6.735 -1.897 1.00 1.00 H new ATOM 488 N THR A 32 20.750 -6.000 -5.544 1.00 1.00 N ATOM 489 CA THR A 32 21.066 -4.691 -6.095 1.00 1.00 C ATOM 490 C THR A 32 21.399 -4.809 -7.577 1.00 1.00 C ATOM 491 O THR A 32 22.409 -5.406 -7.946 1.00 1.00 O ATOM 492 CB THR A 32 22.265 -4.100 -5.342 1.00 1.00 C ATOM 493 OG1 THR A 32 22.512 -2.787 -5.823 1.00 1.00 O ATOM 494 CG2 THR A 32 23.528 -4.968 -5.549 1.00 1.00 C ATOM 0 H THR A 32 20.968 -6.783 -6.160 1.00 1.00 H new ATOM 0 HA THR A 32 20.201 -4.037 -5.981 1.00 1.00 H new ATOM 0 HB THR A 32 22.034 -4.076 -4.277 1.00 1.00 H new ATOM 0 HG1 THR A 32 23.276 -2.402 -5.345 1.00 1.00 H new ATOM 0 HG21 THR A 32 24.365 -4.529 -5.006 1.00 1.00 H new ATOM 0 HG22 THR A 32 23.342 -5.975 -5.176 1.00 1.00 H new ATOM 0 HG23 THR A 32 23.769 -5.013 -6.611 1.00 1.00 H new ATOM 502 N ALA A 33 20.551 -4.229 -8.425 1.00 1.00 N ATOM 503 CA ALA A 33 20.775 -4.262 -9.869 1.00 1.00 C ATOM 504 C ALA A 33 19.522 -3.794 -10.613 1.00 1.00 C ATOM 505 O ALA A 33 18.419 -4.265 -10.338 1.00 1.00 O ATOM 506 CB ALA A 33 21.164 -5.691 -10.329 1.00 1.00 C ATOM 0 H ALA A 33 19.707 -3.733 -8.139 1.00 1.00 H new ATOM 0 HA ALA A 33 21.597 -3.586 -10.103 1.00 1.00 H new ATOM 0 HB1 ALA A 33 21.326 -5.695 -11.407 1.00 1.00 H new ATOM 0 HB2 ALA A 33 22.079 -6.000 -9.823 1.00 1.00 H new ATOM 0 HB3 ALA A 33 20.360 -6.384 -10.081 1.00 1.00 H new ATOM 512 N ALA A 34 19.705 -2.898 -11.581 1.00 1.00 N ATOM 513 CA ALA A 34 18.587 -2.413 -12.388 1.00 1.00 C ATOM 514 C ALA A 34 18.267 -3.413 -13.493 1.00 1.00 C ATOM 515 O ALA A 34 19.127 -3.750 -14.308 1.00 1.00 O ATOM 516 CB ALA A 34 18.940 -1.062 -13.008 1.00 1.00 C ATOM 0 H ALA A 34 20.610 -2.495 -11.825 1.00 1.00 H new ATOM 0 HA ALA A 34 17.714 -2.298 -11.745 1.00 1.00 H new ATOM 0 HB1 ALA A 34 18.102 -0.707 -13.608 1.00 1.00 H new ATOM 0 HB2 ALA A 34 19.150 -0.342 -12.217 1.00 1.00 H new ATOM 0 HB3 ALA A 34 19.820 -1.171 -13.642 1.00 1.00 H new ATOM 522 N GLN A 35 17.020 -3.885 -13.514 1.00 1.00 N ATOM 523 CA GLN A 35 16.572 -4.855 -14.522 1.00 1.00 C ATOM 524 C GLN A 35 15.130 -4.569 -14.928 1.00 1.00 C ATOM 525 O GLN A 35 14.370 -3.959 -14.178 1.00 1.00 O ATOM 526 CB GLN A 35 16.676 -6.288 -13.967 1.00 1.00 C ATOM 527 CG GLN A 35 18.141 -6.665 -13.702 1.00 1.00 C ATOM 528 CD GLN A 35 18.930 -6.673 -15.009 1.00 1.00 C ATOM 529 OE1 GLN A 35 18.540 -7.345 -15.963 1.00 1.00 O ATOM 530 NE2 GLN A 35 20.013 -5.952 -15.116 1.00 1.00 N ATOM 0 H GLN A 35 16.299 -3.613 -12.845 1.00 1.00 H new ATOM 0 HA GLN A 35 17.215 -4.762 -15.397 1.00 1.00 H new ATOM 0 HB2 GLN A 35 16.102 -6.368 -13.044 1.00 1.00 H new ATOM 0 HB3 GLN A 35 16.238 -6.990 -14.676 1.00 1.00 H new ATOM 0 HG2 GLN A 35 18.586 -5.955 -13.005 1.00 1.00 H new ATOM 0 HG3 GLN A 35 18.192 -7.647 -13.232 1.00 1.00 H new ATOM 0 HE21 GLN A 35 20.335 -5.395 -14.324 1.00 1.00 H new ATOM 0 HE22 GLN A 35 20.537 -5.945 -15.991 1.00 1.00 H new ATOM 539 N GLU A 36 14.766 -5.005 -16.131 1.00 1.00 N ATOM 540 CA GLU A 36 13.416 -4.791 -16.644 1.00 1.00 C ATOM 541 C GLU A 36 12.420 -5.708 -15.947 1.00 1.00 C ATOM 542 O GLU A 36 12.721 -6.866 -15.653 1.00 1.00 O ATOM 543 CB GLU A 36 13.385 -5.062 -18.152 1.00 1.00 C ATOM 544 CG GLU A 36 14.215 -4.003 -18.883 1.00 1.00 C ATOM 545 CD GLU A 36 14.250 -4.298 -20.382 1.00 1.00 C ATOM 546 OE1 GLU A 36 13.692 -5.306 -20.785 1.00 1.00 O ATOM 547 OE2 GLU A 36 14.838 -3.511 -21.105 1.00 1.00 O ATOM 0 H GLU A 36 15.385 -5.507 -16.767 1.00 1.00 H new ATOM 0 HA GLU A 36 13.136 -3.756 -16.448 1.00 1.00 H new ATOM 0 HB2 GLU A 36 13.780 -6.056 -18.361 1.00 1.00 H new ATOM 0 HB3 GLU A 36 12.357 -5.045 -18.513 1.00 1.00 H new ATOM 0 HG2 GLU A 36 13.790 -3.014 -18.710 1.00 1.00 H new ATOM 0 HG3 GLU A 36 15.230 -3.988 -18.485 1.00 1.00 H new ATOM 554 N GLY A 37 11.228 -5.180 -15.694 1.00 1.00 N ATOM 555 CA GLY A 37 10.177 -5.952 -15.041 1.00 1.00 C ATOM 556 C GLY A 37 10.438 -6.069 -13.548 1.00 1.00 C ATOM 557 O GLY A 37 9.629 -6.632 -12.811 1.00 1.00 O ATOM 0 H GLY A 37 10.965 -4.223 -15.930 1.00 1.00 H new ATOM 0 HA2 GLY A 37 9.212 -5.475 -15.209 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.122 -6.947 -15.484 1.00 1.00 H new ATOM 561 N GLN A 38 11.579 -5.535 -13.100 1.00 1.00 N ATOM 562 CA GLN A 38 11.944 -5.591 -11.680 1.00 1.00 C ATOM 563 C GLN A 38 11.598 -4.268 -10.981 1.00 1.00 C ATOM 564 O GLN A 38 11.537 -3.221 -11.626 1.00 1.00 O ATOM 565 CB GLN A 38 13.463 -5.884 -11.542 1.00 1.00 C ATOM 566 CG GLN A 38 13.705 -7.398 -11.452 1.00 1.00 C ATOM 567 CD GLN A 38 13.112 -8.085 -12.675 1.00 1.00 C ATOM 568 OE1 GLN A 38 13.807 -8.298 -13.666 1.00 1.00 O ATOM 569 NE2 GLN A 38 11.854 -8.436 -12.667 1.00 1.00 N ATOM 0 H GLN A 38 12.261 -5.063 -13.694 1.00 1.00 H new ATOM 0 HA GLN A 38 11.377 -6.391 -11.203 1.00 1.00 H new ATOM 0 HB2 GLN A 38 13.999 -5.473 -12.397 1.00 1.00 H new ATOM 0 HB3 GLN A 38 13.856 -5.392 -10.653 1.00 1.00 H new ATOM 0 HG2 GLN A 38 14.774 -7.602 -11.390 1.00 1.00 H new ATOM 0 HG3 GLN A 38 13.252 -7.795 -10.544 1.00 1.00 H new ATOM 0 HE21 GLN A 38 11.280 -8.258 -11.843 1.00 1.00 H new ATOM 0 HE22 GLN A 38 11.446 -8.888 -13.485 1.00 1.00 H new ATOM 578 N PRO A 39 11.393 -4.297 -9.673 1.00 1.00 N ATOM 579 CA PRO A 39 11.076 -3.075 -8.875 1.00 1.00 C ATOM 580 C PRO A 39 11.825 -1.836 -9.379 1.00 1.00 C ATOM 581 O PRO A 39 13.040 -1.725 -9.217 1.00 1.00 O ATOM 582 CB PRO A 39 11.532 -3.463 -7.457 1.00 1.00 C ATOM 583 CG PRO A 39 11.341 -4.955 -7.371 1.00 1.00 C ATOM 584 CD PRO A 39 11.428 -5.501 -8.813 1.00 1.00 C ATOM 0 HA PRO A 39 10.023 -2.798 -8.936 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.574 -3.190 -7.291 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.942 -2.947 -6.699 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.106 -5.407 -6.740 1.00 1.00 H new ATOM 0 HG3 PRO A 39 10.376 -5.196 -6.924 1.00 1.00 H new ATOM 0 HD2 PRO A 39 12.345 -6.071 -8.966 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.596 -6.170 -9.034 1.00 1.00 H new ATOM 592 N GLU A 40 11.089 -0.916 -9.986 1.00 1.00 N ATOM 593 CA GLU A 40 11.692 0.303 -10.506 1.00 1.00 C ATOM 594 C GLU A 40 12.381 1.061 -9.382 1.00 1.00 C ATOM 595 O GLU A 40 13.431 1.665 -9.582 1.00 1.00 O ATOM 596 CB GLU A 40 10.616 1.189 -11.137 1.00 1.00 C ATOM 597 CG GLU A 40 10.066 0.514 -12.397 1.00 1.00 C ATOM 598 CD GLU A 40 8.916 1.332 -12.979 1.00 1.00 C ATOM 599 OE1 GLU A 40 8.618 2.382 -12.431 1.00 1.00 O ATOM 600 OE2 GLU A 40 8.346 0.894 -13.964 1.00 1.00 O ATOM 0 H GLU A 40 10.082 -0.989 -10.130 1.00 1.00 H new ATOM 0 HA GLU A 40 12.428 0.037 -11.264 1.00 1.00 H new ATOM 0 HB2 GLU A 40 9.810 1.362 -10.424 1.00 1.00 H new ATOM 0 HB3 GLU A 40 11.035 2.164 -11.388 1.00 1.00 H new ATOM 0 HG2 GLU A 40 10.859 0.411 -13.138 1.00 1.00 H new ATOM 0 HG3 GLU A 40 9.721 -0.492 -12.157 1.00 1.00 H new ATOM 607 N PHE A 41 11.783 1.029 -8.199 1.00 1.00 N ATOM 608 CA PHE A 41 12.356 1.730 -7.058 1.00 1.00 C ATOM 609 C PHE A 41 13.797 1.271 -6.810 1.00 1.00 C ATOM 610 O PHE A 41 14.706 2.092 -6.725 1.00 1.00 O ATOM 611 CB PHE A 41 11.487 1.465 -5.812 1.00 1.00 C ATOM 612 CG PHE A 41 12.199 1.957 -4.558 1.00 1.00 C ATOM 613 CD1 PHE A 41 12.561 3.306 -4.450 1.00 1.00 C ATOM 614 CD2 PHE A 41 12.521 1.063 -3.525 1.00 1.00 C ATOM 615 CE1 PHE A 41 13.238 3.759 -3.312 1.00 1.00 C ATOM 616 CE2 PHE A 41 13.204 1.518 -2.392 1.00 1.00 C ATOM 617 CZ PHE A 41 13.562 2.867 -2.287 1.00 1.00 C ATOM 0 H PHE A 41 10.913 0.533 -8.005 1.00 1.00 H new ATOM 0 HA PHE A 41 12.375 2.800 -7.267 1.00 1.00 H new ATOM 0 HB2 PHE A 41 10.527 1.970 -5.915 1.00 1.00 H new ATOM 0 HB3 PHE A 41 11.278 0.399 -5.726 1.00 1.00 H new ATOM 0 HD1 PHE A 41 12.318 3.996 -5.244 1.00 1.00 H new ATOM 0 HD2 PHE A 41 12.241 0.023 -3.605 1.00 1.00 H new ATOM 0 HE1 PHE A 41 13.511 4.801 -3.226 1.00 1.00 H new ATOM 0 HE2 PHE A 41 13.455 0.829 -1.599 1.00 1.00 H new ATOM 0 HZ PHE A 41 14.089 3.219 -1.413 1.00 1.00 H new ATOM 627 N ILE A 42 13.997 -0.036 -6.717 1.00 1.00 N ATOM 628 CA ILE A 42 15.329 -0.590 -6.492 1.00 1.00 C ATOM 629 C ILE A 42 16.237 -0.277 -7.668 1.00 1.00 C ATOM 630 O ILE A 42 17.414 0.037 -7.493 1.00 1.00 O ATOM 631 CB ILE A 42 15.237 -2.103 -6.297 1.00 1.00 C ATOM 632 CG1 ILE A 42 14.254 -2.417 -5.149 1.00 1.00 C ATOM 633 CG2 ILE A 42 16.625 -2.677 -5.989 1.00 1.00 C ATOM 634 CD1 ILE A 42 14.736 -1.828 -3.808 1.00 1.00 C ATOM 0 H ILE A 42 13.257 -0.733 -6.793 1.00 1.00 H new ATOM 0 HA ILE A 42 15.749 -0.137 -5.594 1.00 1.00 H new ATOM 0 HB ILE A 42 14.869 -2.565 -7.213 1.00 1.00 H new ATOM 0 HG12 ILE A 42 13.271 -2.013 -5.391 1.00 1.00 H new ATOM 0 HG13 ILE A 42 14.140 -3.497 -5.052 1.00 1.00 H new ATOM 0 HG21 ILE A 42 16.550 -3.756 -5.851 1.00 1.00 H new ATOM 0 HG22 ILE A 42 17.299 -2.463 -6.818 1.00 1.00 H new ATOM 0 HG23 ILE A 42 17.013 -2.221 -5.078 1.00 1.00 H new ATOM 0 HD11 ILE A 42 14.017 -2.070 -3.025 1.00 1.00 H new ATOM 0 HD12 ILE A 42 15.707 -2.251 -3.553 1.00 1.00 H new ATOM 0 HD13 ILE A 42 14.824 -0.745 -3.897 1.00 1.00 H new ATOM 646 N ASN A 43 15.692 -0.395 -8.865 1.00 1.00 N ATOM 647 CA ASN A 43 16.476 -0.150 -10.059 1.00 1.00 C ATOM 648 C ASN A 43 17.018 1.274 -10.074 1.00 1.00 C ATOM 649 O ASN A 43 18.153 1.504 -10.487 1.00 1.00 O ATOM 650 CB ASN A 43 15.632 -0.386 -11.310 1.00 1.00 C ATOM 651 CG ASN A 43 15.084 -1.808 -11.322 1.00 1.00 C ATOM 652 OD1 ASN A 43 15.589 -2.677 -10.609 1.00 1.00 O ATOM 653 ND2 ASN A 43 14.073 -2.101 -12.096 1.00 1.00 N ATOM 0 H ASN A 43 14.721 -0.656 -9.035 1.00 1.00 H new ATOM 0 HA ASN A 43 17.316 -0.845 -10.053 1.00 1.00 H new ATOM 0 HB2 ASN A 43 14.809 0.328 -11.341 1.00 1.00 H new ATOM 0 HB3 ASN A 43 16.236 -0.215 -12.201 1.00 1.00 H new ATOM 0 HD21 ASN A 43 13.700 -3.050 -12.111 1.00 1.00 H new ATOM 0 HD22 ASN A 43 13.656 -1.380 -12.685 1.00 1.00 H new ATOM 660 N ARG A 44 16.213 2.228 -9.626 1.00 1.00 N ATOM 661 CA ARG A 44 16.641 3.618 -9.609 1.00 1.00 C ATOM 662 C ARG A 44 17.863 3.786 -8.720 1.00 1.00 C ATOM 663 O ARG A 44 18.781 4.543 -9.043 1.00 1.00 O ATOM 664 CB ARG A 44 15.478 4.479 -9.096 1.00 1.00 C ATOM 665 CG ARG A 44 14.343 4.520 -10.145 1.00 1.00 C ATOM 666 CD ARG A 44 14.567 5.653 -11.152 1.00 1.00 C ATOM 667 NE ARG A 44 13.566 5.582 -12.210 1.00 1.00 N ATOM 668 CZ ARG A 44 13.718 4.772 -13.254 1.00 1.00 C ATOM 669 NH1 ARG A 44 14.771 4.006 -13.337 1.00 1.00 N ATOM 670 NH2 ARG A 44 12.811 4.740 -14.190 1.00 1.00 N ATOM 0 H ARG A 44 15.270 2.067 -9.273 1.00 1.00 H new ATOM 0 HA ARG A 44 16.916 3.933 -10.615 1.00 1.00 H new ATOM 0 HB2 ARG A 44 15.101 4.073 -8.157 1.00 1.00 H new ATOM 0 HB3 ARG A 44 15.828 5.490 -8.888 1.00 1.00 H new ATOM 0 HG2 ARG A 44 14.294 3.566 -10.670 1.00 1.00 H new ATOM 0 HG3 ARG A 44 13.385 4.658 -9.644 1.00 1.00 H new ATOM 0 HD2 ARG A 44 14.507 6.617 -10.647 1.00 1.00 H new ATOM 0 HD3 ARG A 44 15.567 5.579 -11.580 1.00 1.00 H new ATOM 0 HE ARG A 44 12.732 6.166 -12.148 1.00 1.00 H new ATOM 0 HH11 ARG A 44 15.477 4.028 -12.601 1.00 1.00 H new ATOM 0 HH12 ARG A 44 14.888 3.385 -14.137 1.00 1.00 H new ATOM 0 HH21 ARG A 44 11.986 5.336 -14.121 1.00 1.00 H new ATOM 0 HH22 ARG A 44 12.927 4.119 -14.991 1.00 1.00 H new ATOM 684 N LEU A 45 17.870 3.086 -7.598 1.00 1.00 N ATOM 685 CA LEU A 45 18.986 3.170 -6.671 1.00 1.00 C ATOM 686 C LEU A 45 20.270 2.649 -7.312 1.00 1.00 C ATOM 687 O LEU A 45 21.331 3.216 -7.124 1.00 1.00 O ATOM 688 CB LEU A 45 18.671 2.358 -5.389 1.00 1.00 C ATOM 689 CG LEU A 45 17.942 3.222 -4.337 1.00 1.00 C ATOM 690 CD1 LEU A 45 16.508 3.508 -4.781 1.00 1.00 C ATOM 691 CD2 LEU A 45 17.920 2.474 -3.002 1.00 1.00 C ATOM 0 H LEU A 45 17.121 2.457 -7.308 1.00 1.00 H new ATOM 0 HA LEU A 45 19.134 4.218 -6.409 1.00 1.00 H new ATOM 0 HB2 LEU A 45 18.054 1.497 -5.645 1.00 1.00 H new ATOM 0 HB3 LEU A 45 19.598 1.971 -4.965 1.00 1.00 H new ATOM 0 HG LEU A 45 18.471 4.169 -4.228 1.00 1.00 H new ATOM 0 HD11 LEU A 45 16.009 4.118 -4.028 1.00 1.00 H new ATOM 0 HD12 LEU A 45 16.521 4.043 -5.731 1.00 1.00 H new ATOM 0 HD13 LEU A 45 15.970 2.568 -4.901 1.00 1.00 H new ATOM 0 HD21 LEU A 45 17.407 3.079 -2.255 1.00 1.00 H new ATOM 0 HD22 LEU A 45 17.396 1.526 -3.125 1.00 1.00 H new ATOM 0 HD23 LEU A 45 18.942 2.284 -2.675 1.00 1.00 H new ATOM 703 N PHE A 46 20.191 1.560 -8.043 1.00 1.00 N ATOM 704 CA PHE A 46 21.383 1.011 -8.650 1.00 1.00 C ATOM 705 C PHE A 46 21.958 1.963 -9.690 1.00 1.00 C ATOM 706 O PHE A 46 23.167 1.968 -9.934 1.00 1.00 O ATOM 707 CB PHE A 46 21.033 -0.318 -9.305 1.00 1.00 C ATOM 708 CG PHE A 46 22.281 -0.947 -9.872 1.00 1.00 C ATOM 709 CD1 PHE A 46 23.138 -1.660 -9.029 1.00 1.00 C ATOM 710 CD2 PHE A 46 22.584 -0.818 -11.234 1.00 1.00 C ATOM 711 CE1 PHE A 46 24.296 -2.248 -9.544 1.00 1.00 C ATOM 712 CE2 PHE A 46 23.742 -1.404 -11.751 1.00 1.00 C ATOM 713 CZ PHE A 46 24.599 -2.121 -10.905 1.00 1.00 C ATOM 0 H PHE A 46 19.331 1.045 -8.230 1.00 1.00 H new ATOM 0 HA PHE A 46 22.137 0.864 -7.877 1.00 1.00 H new ATOM 0 HB2 PHE A 46 20.577 -0.986 -8.574 1.00 1.00 H new ATOM 0 HB3 PHE A 46 20.300 -0.163 -10.097 1.00 1.00 H new ATOM 0 HD1 PHE A 46 22.905 -1.756 -7.979 1.00 1.00 H new ATOM 0 HD2 PHE A 46 21.922 -0.265 -11.884 1.00 1.00 H new ATOM 0 HE1 PHE A 46 24.957 -2.800 -8.893 1.00 1.00 H new ATOM 0 HE2 PHE A 46 23.976 -1.305 -12.801 1.00 1.00 H new ATOM 0 HZ PHE A 46 25.494 -2.576 -11.303 1.00 1.00 H new ATOM 723 N GLU A 47 21.098 2.760 -10.314 1.00 1.00 N ATOM 724 CA GLU A 47 21.546 3.698 -11.336 1.00 1.00 C ATOM 725 C GLU A 47 22.319 4.856 -10.724 1.00 1.00 C ATOM 726 O GLU A 47 22.924 5.650 -11.448 1.00 1.00 O ATOM 727 CB GLU A 47 20.331 4.244 -12.098 1.00 1.00 C ATOM 728 CG GLU A 47 19.712 3.126 -12.939 1.00 1.00 C ATOM 729 CD GLU A 47 18.433 3.613 -13.614 1.00 1.00 C ATOM 730 OE1 GLU A 47 18.085 4.768 -13.427 1.00 1.00 O ATOM 731 OE2 GLU A 47 17.818 2.819 -14.307 1.00 1.00 O ATOM 0 H GLU A 47 20.094 2.776 -10.132 1.00 1.00 H new ATOM 0 HA GLU A 47 22.210 3.166 -12.018 1.00 1.00 H new ATOM 0 HB2 GLU A 47 19.595 4.636 -11.397 1.00 1.00 H new ATOM 0 HB3 GLU A 47 20.633 5.072 -12.740 1.00 1.00 H new ATOM 0 HG2 GLU A 47 20.425 2.793 -13.694 1.00 1.00 H new ATOM 0 HG3 GLU A 47 19.492 2.266 -12.307 1.00 1.00 H new ATOM 738 N ILE A 48 22.293 4.960 -9.391 1.00 1.00 N ATOM 739 CA ILE A 48 22.995 6.044 -8.694 1.00 1.00 C ATOM 740 C ILE A 48 24.250 5.511 -8.017 1.00 1.00 C ATOM 741 O ILE A 48 24.213 4.486 -7.336 1.00 1.00 O ATOM 742 CB ILE A 48 22.042 6.710 -7.648 1.00 1.00 C ATOM 743 CG1 ILE A 48 22.308 8.229 -7.569 1.00 1.00 C ATOM 744 CG2 ILE A 48 22.207 6.108 -6.231 1.00 1.00 C ATOM 745 CD1 ILE A 48 23.786 8.520 -7.274 1.00 1.00 C ATOM 0 H ILE A 48 21.798 4.313 -8.777 1.00 1.00 H new ATOM 0 HA ILE A 48 23.295 6.799 -9.421 1.00 1.00 H new ATOM 0 HB ILE A 48 21.025 6.516 -7.989 1.00 1.00 H new ATOM 0 HG12 ILE A 48 22.023 8.700 -8.510 1.00 1.00 H new ATOM 0 HG13 ILE A 48 21.686 8.670 -6.790 1.00 1.00 H new ATOM 0 HG21 ILE A 48 21.523 6.605 -5.543 1.00 1.00 H new ATOM 0 HG22 ILE A 48 21.982 5.042 -6.260 1.00 1.00 H new ATOM 0 HG23 ILE A 48 23.233 6.253 -5.891 1.00 1.00 H new ATOM 0 HD11 ILE A 48 23.942 9.598 -7.224 1.00 1.00 H new ATOM 0 HD12 ILE A 48 24.062 8.069 -6.321 1.00 1.00 H new ATOM 0 HD13 ILE A 48 24.405 8.100 -8.067 1.00 1.00 H new ATOM 757 N GLU A 49 25.349 6.232 -8.173 1.00 1.00 N ATOM 758 CA GLU A 49 26.590 5.842 -7.536 1.00 1.00 C ATOM 759 C GLU A 49 26.501 6.124 -6.042 1.00 1.00 C ATOM 760 O GLU A 49 26.206 7.244 -5.631 1.00 1.00 O ATOM 761 CB GLU A 49 27.772 6.621 -8.155 1.00 1.00 C ATOM 762 CG GLU A 49 29.015 6.552 -7.243 1.00 1.00 C ATOM 763 CD GLU A 49 29.340 5.094 -6.918 1.00 1.00 C ATOM 764 OE1 GLU A 49 29.094 4.250 -7.765 1.00 1.00 O ATOM 765 OE2 GLU A 49 29.812 4.841 -5.822 1.00 1.00 O ATOM 0 H GLU A 49 25.404 7.084 -8.732 1.00 1.00 H new ATOM 0 HA GLU A 49 26.757 4.776 -7.692 1.00 1.00 H new ATOM 0 HB2 GLU A 49 28.012 6.208 -9.135 1.00 1.00 H new ATOM 0 HB3 GLU A 49 27.486 7.662 -8.309 1.00 1.00 H new ATOM 0 HG2 GLU A 49 29.866 7.022 -7.736 1.00 1.00 H new ATOM 0 HG3 GLU A 49 28.833 7.107 -6.323 1.00 1.00 H new ATOM 772 N GLY A 50 26.820 5.121 -5.232 1.00 1.00 N ATOM 773 CA GLY A 50 26.817 5.286 -3.780 1.00 1.00 C ATOM 774 C GLY A 50 26.146 4.109 -3.104 1.00 1.00 C ATOM 775 O GLY A 50 26.579 3.672 -2.041 1.00 1.00 O ATOM 0 H GLY A 50 27.083 4.189 -5.552 1.00 1.00 H new ATOM 0 HA2 GLY A 50 27.841 5.383 -3.419 1.00 1.00 H new ATOM 0 HA3 GLY A 50 26.297 6.207 -3.516 1.00 1.00 H new ATOM 779 N VAL A 51 25.084 3.596 -3.717 1.00 1.00 N ATOM 780 CA VAL A 51 24.371 2.472 -3.132 1.00 1.00 C ATOM 781 C VAL A 51 25.225 1.215 -3.178 1.00 1.00 C ATOM 782 O VAL A 51 25.739 0.837 -4.230 1.00 1.00 O ATOM 783 CB VAL A 51 23.072 2.241 -3.906 1.00 1.00 C ATOM 784 CG1 VAL A 51 22.295 1.077 -3.280 1.00 1.00 C ATOM 785 CG2 VAL A 51 22.219 3.520 -3.868 1.00 1.00 C ATOM 0 H VAL A 51 24.706 3.934 -4.602 1.00 1.00 H new ATOM 0 HA VAL A 51 24.146 2.699 -2.090 1.00 1.00 H new ATOM 0 HB VAL A 51 23.306 1.995 -4.942 1.00 1.00 H new ATOM 0 HG11 VAL A 51 21.371 0.916 -3.835 1.00 1.00 H new ATOM 0 HG12 VAL A 51 22.902 0.173 -3.317 1.00 1.00 H new ATOM 0 HG13 VAL A 51 22.059 1.313 -2.242 1.00 1.00 H new ATOM 0 HG21 VAL A 51 21.293 3.356 -4.419 1.00 1.00 H new ATOM 0 HG22 VAL A 51 21.986 3.771 -2.833 1.00 1.00 H new ATOM 0 HG23 VAL A 51 22.773 4.340 -4.324 1.00 1.00 H new ATOM 795 N LYS A 52 25.362 0.562 -2.023 1.00 1.00 N ATOM 796 CA LYS A 52 26.146 -0.671 -1.922 1.00 1.00 C ATOM 797 C LYS A 52 25.230 -1.885 -1.937 1.00 1.00 C ATOM 798 O LYS A 52 25.531 -2.890 -2.579 1.00 1.00 O ATOM 799 CB LYS A 52 26.957 -0.670 -0.625 1.00 1.00 C ATOM 800 CG LYS A 52 27.987 0.462 -0.660 1.00 1.00 C ATOM 801 CD LYS A 52 28.951 0.329 0.528 1.00 1.00 C ATOM 802 CE LYS A 52 28.185 0.425 1.860 1.00 1.00 C ATOM 803 NZ LYS A 52 27.142 1.483 1.766 1.00 1.00 N ATOM 0 H LYS A 52 24.941 0.866 -1.145 1.00 1.00 H new ATOM 0 HA LYS A 52 26.821 -0.720 -2.777 1.00 1.00 H new ATOM 0 HB2 LYS A 52 26.293 -0.544 0.230 1.00 1.00 H new ATOM 0 HB3 LYS A 52 27.460 -1.629 -0.499 1.00 1.00 H new ATOM 0 HG2 LYS A 52 28.544 0.430 -1.597 1.00 1.00 H new ATOM 0 HG3 LYS A 52 27.481 1.427 -0.623 1.00 1.00 H new ATOM 0 HD2 LYS A 52 29.476 -0.624 0.472 1.00 1.00 H new ATOM 0 HD3 LYS A 52 29.707 1.113 0.480 1.00 1.00 H new ATOM 0 HE2 LYS A 52 27.723 -0.534 2.095 1.00 1.00 H new ATOM 0 HE3 LYS A 52 28.876 0.653 2.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 26.925 1.842 2.718 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 27.491 2.263 1.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 26.280 1.084 1.342 1.00 1.00 H new ATOM 817 N SER A 53 24.102 -1.784 -1.235 1.00 1.00 N ATOM 818 CA SER A 53 23.144 -2.882 -1.184 1.00 1.00 C ATOM 819 C SER A 53 21.810 -2.397 -0.625 1.00 1.00 C ATOM 820 O SER A 53 21.703 -1.273 -0.134 1.00 1.00 O ATOM 821 CB SER A 53 23.693 -4.021 -0.317 1.00 1.00 C ATOM 822 OG SER A 53 25.035 -4.298 -0.694 1.00 1.00 O ATOM 0 H SER A 53 23.833 -0.959 -0.699 1.00 1.00 H new ATOM 0 HA SER A 53 22.985 -3.252 -2.197 1.00 1.00 H new ATOM 0 HB2 SER A 53 23.650 -3.744 0.736 1.00 1.00 H new ATOM 0 HB3 SER A 53 23.078 -4.913 -0.438 1.00 1.00 H new ATOM 0 HG SER A 53 25.152 -4.111 -1.649 1.00 1.00 H new ATOM 828 N ILE A 54 20.797 -3.260 -0.697 1.00 1.00 N ATOM 829 CA ILE A 54 19.461 -2.931 -0.191 1.00 1.00 C ATOM 830 C ILE A 54 18.884 -4.117 0.561 1.00 1.00 C ATOM 831 O ILE A 54 18.993 -5.256 0.116 1.00 1.00 O ATOM 832 CB ILE A 54 18.523 -2.552 -1.349 1.00 1.00 C ATOM 833 CG1 ILE A 54 19.140 -1.385 -2.188 1.00 1.00 C ATOM 834 CG2 ILE A 54 17.161 -2.125 -0.765 1.00 1.00 C ATOM 835 CD1 ILE A 54 19.919 -1.951 -3.387 1.00 1.00 C ATOM 0 H ILE A 54 20.874 -4.193 -1.101 1.00 1.00 H new ATOM 0 HA ILE A 54 19.549 -2.080 0.485 1.00 1.00 H new ATOM 0 HB ILE A 54 18.389 -3.410 -2.007 1.00 1.00 H new ATOM 0 HG12 ILE A 54 18.350 -0.721 -2.538 1.00 1.00 H new ATOM 0 HG13 ILE A 54 19.803 -0.788 -1.562 1.00 1.00 H new ATOM 0 HG21 ILE A 54 16.486 -1.853 -1.577 1.00 1.00 H new ATOM 0 HG22 ILE A 54 16.733 -2.952 -0.198 1.00 1.00 H new ATOM 0 HG23 ILE A 54 17.300 -1.268 -0.107 1.00 1.00 H new ATOM 0 HD11 ILE A 54 20.345 -1.130 -3.965 1.00 1.00 H new ATOM 0 HD12 ILE A 54 20.721 -2.596 -3.028 1.00 1.00 H new ATOM 0 HD13 ILE A 54 19.244 -2.528 -4.019 1.00 1.00 H new ATOM 847 N PHE A 55 18.258 -3.836 1.704 1.00 1.00 N ATOM 848 CA PHE A 55 17.642 -4.875 2.533 1.00 1.00 C ATOM 849 C PHE A 55 16.132 -4.725 2.503 1.00 1.00 C ATOM 850 O PHE A 55 15.604 -3.623 2.666 1.00 1.00 O ATOM 851 CB PHE A 55 18.139 -4.748 3.971 1.00 1.00 C ATOM 852 CG PHE A 55 19.635 -4.977 4.003 1.00 1.00 C ATOM 853 CD1 PHE A 55 20.142 -6.280 4.099 1.00 1.00 C ATOM 854 CD2 PHE A 55 20.515 -3.888 3.933 1.00 1.00 C ATOM 855 CE1 PHE A 55 21.526 -6.492 4.125 1.00 1.00 C ATOM 856 CE2 PHE A 55 21.898 -4.102 3.959 1.00 1.00 C ATOM 857 CZ PHE A 55 22.403 -5.403 4.055 1.00 1.00 C ATOM 0 H PHE A 55 18.163 -2.892 2.079 1.00 1.00 H new ATOM 0 HA PHE A 55 17.916 -5.855 2.141 1.00 1.00 H new ATOM 0 HB2 PHE A 55 17.902 -3.759 4.364 1.00 1.00 H new ATOM 0 HB3 PHE A 55 17.634 -5.474 4.608 1.00 1.00 H new ATOM 0 HD1 PHE A 55 19.466 -7.120 4.153 1.00 1.00 H new ATOM 0 HD2 PHE A 55 20.126 -2.883 3.859 1.00 1.00 H new ATOM 0 HE1 PHE A 55 21.917 -7.496 4.199 1.00 1.00 H new ATOM 0 HE2 PHE A 55 22.575 -3.263 3.905 1.00 1.00 H new ATOM 0 HZ PHE A 55 23.470 -5.567 4.075 1.00 1.00 H new ATOM 867 N TYR A 56 15.439 -5.846 2.301 1.00 1.00 N ATOM 868 CA TYR A 56 13.975 -5.863 2.256 1.00 1.00 C ATOM 869 C TYR A 56 13.428 -6.826 3.299 1.00 1.00 C ATOM 870 O TYR A 56 13.517 -8.038 3.141 1.00 1.00 O ATOM 871 CB TYR A 56 13.510 -6.279 0.859 1.00 1.00 C ATOM 872 CG TYR A 56 11.996 -6.379 0.837 1.00 1.00 C ATOM 873 CD1 TYR A 56 11.230 -5.222 1.016 1.00 1.00 C ATOM 874 CD2 TYR A 56 11.360 -7.617 0.652 1.00 1.00 C ATOM 875 CE1 TYR A 56 9.839 -5.295 1.005 1.00 1.00 C ATOM 876 CE2 TYR A 56 9.966 -7.688 0.642 1.00 1.00 C ATOM 877 CZ TYR A 56 9.207 -6.527 0.818 1.00 1.00 C ATOM 878 OH TYR A 56 7.837 -6.595 0.797 1.00 1.00 O ATOM 0 H TYR A 56 15.871 -6.760 2.165 1.00 1.00 H new ATOM 0 HA TYR A 56 13.599 -4.864 2.476 1.00 1.00 H new ATOM 0 HB2 TYR A 56 13.848 -5.552 0.120 1.00 1.00 H new ATOM 0 HB3 TYR A 56 13.952 -7.238 0.588 1.00 1.00 H new ATOM 0 HD1 TYR A 56 11.718 -4.270 1.163 1.00 1.00 H new ATOM 0 HD2 TYR A 56 11.948 -8.513 0.518 1.00 1.00 H new ATOM 0 HE1 TYR A 56 9.250 -4.400 1.141 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.474 -8.639 0.498 1.00 1.00 H new ATOM 0 HH TYR A 56 7.526 -6.636 -0.131 1.00 1.00 H new ATOM 888 N VAL A 57 12.839 -6.275 4.351 1.00 1.00 N ATOM 889 CA VAL A 57 12.257 -7.094 5.404 1.00 1.00 C ATOM 890 C VAL A 57 11.334 -6.255 6.267 1.00 1.00 C ATOM 891 O VAL A 57 11.574 -5.074 6.483 1.00 1.00 O ATOM 892 CB VAL A 57 13.367 -7.714 6.256 1.00 1.00 C ATOM 893 CG1 VAL A 57 14.190 -6.605 6.922 1.00 1.00 C ATOM 894 CG2 VAL A 57 12.752 -8.620 7.331 1.00 1.00 C ATOM 0 H VAL A 57 12.752 -5.269 4.498 1.00 1.00 H new ATOM 0 HA VAL A 57 11.674 -7.896 4.950 1.00 1.00 H new ATOM 0 HB VAL A 57 14.019 -8.309 5.616 1.00 1.00 H new ATOM 0 HG11 VAL A 57 14.979 -7.051 7.527 1.00 1.00 H new ATOM 0 HG12 VAL A 57 14.636 -5.972 6.155 1.00 1.00 H new ATOM 0 HG13 VAL A 57 13.541 -6.003 7.558 1.00 1.00 H new ATOM 0 HG21 VAL A 57 13.546 -9.059 7.935 1.00 1.00 H new ATOM 0 HG22 VAL A 57 12.094 -8.031 7.970 1.00 1.00 H new ATOM 0 HG23 VAL A 57 12.179 -9.414 6.853 1.00 1.00 H new ATOM 904 N LEU A 58 10.290 -6.882 6.776 1.00 1.00 N ATOM 905 CA LEU A 58 9.333 -6.196 7.634 1.00 1.00 C ATOM 906 C LEU A 58 8.595 -5.098 6.861 1.00 1.00 C ATOM 907 O LEU A 58 8.568 -5.105 5.639 1.00 1.00 O ATOM 908 CB LEU A 58 10.065 -5.608 8.894 1.00 1.00 C ATOM 909 CG LEU A 58 9.493 -6.175 10.216 1.00 1.00 C ATOM 910 CD1 LEU A 58 8.044 -5.679 10.416 1.00 1.00 C ATOM 911 CD2 LEU A 58 9.566 -7.731 10.217 1.00 1.00 C ATOM 0 H LEU A 58 10.080 -7.867 6.612 1.00 1.00 H new ATOM 0 HA LEU A 58 8.588 -6.916 7.973 1.00 1.00 H new ATOM 0 HB2 LEU A 58 11.129 -5.835 8.833 1.00 1.00 H new ATOM 0 HB3 LEU A 58 9.970 -4.522 8.894 1.00 1.00 H new ATOM 0 HG LEU A 58 10.095 -5.816 11.051 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.647 -6.081 11.348 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.035 -4.590 10.458 1.00 1.00 H new ATOM 0 HD13 LEU A 58 7.426 -6.015 9.583 1.00 1.00 H new ATOM 0 HD21 LEU A 58 9.160 -8.114 11.153 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.985 -8.123 9.382 1.00 1.00 H new ATOM 0 HD23 LEU A 58 10.604 -8.047 10.116 1.00 1.00 H new ATOM 923 N ASP A 59 8.008 -4.155 7.602 1.00 1.00 N ATOM 924 CA ASP A 59 7.270 -3.041 7.024 1.00 1.00 C ATOM 925 C ASP A 59 8.198 -1.862 6.758 1.00 1.00 C ATOM 926 O ASP A 59 7.749 -0.739 6.549 1.00 1.00 O ATOM 927 CB ASP A 59 6.144 -2.617 7.970 1.00 1.00 C ATOM 928 CG ASP A 59 5.133 -3.755 8.125 1.00 1.00 C ATOM 929 OD1 ASP A 59 5.175 -4.674 7.322 1.00 1.00 O ATOM 930 OD2 ASP A 59 4.337 -3.691 9.046 1.00 1.00 O ATOM 0 H ASP A 59 8.034 -4.147 8.622 1.00 1.00 H new ATOM 0 HA ASP A 59 6.841 -3.363 6.075 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.557 -2.351 8.943 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.647 -1.728 7.581 1.00 1.00 H new ATOM 935 N PHE A 60 9.504 -2.119 6.784 1.00 1.00 N ATOM 936 CA PHE A 60 10.497 -1.068 6.552 1.00 1.00 C ATOM 937 C PHE A 60 11.728 -1.642 5.871 1.00 1.00 C ATOM 938 O PHE A 60 11.975 -2.840 5.927 1.00 1.00 O ATOM 939 CB PHE A 60 10.902 -0.410 7.877 1.00 1.00 C ATOM 940 CG PHE A 60 11.531 -1.442 8.792 1.00 1.00 C ATOM 941 CD1 PHE A 60 12.884 -1.773 8.642 1.00 1.00 C ATOM 942 CD2 PHE A 60 10.765 -2.071 9.784 1.00 1.00 C ATOM 943 CE1 PHE A 60 13.469 -2.730 9.481 1.00 1.00 C ATOM 944 CE2 PHE A 60 11.351 -3.027 10.623 1.00 1.00 C ATOM 945 CZ PHE A 60 12.703 -3.356 10.471 1.00 1.00 C ATOM 0 H PHE A 60 9.900 -3.042 6.963 1.00 1.00 H new ATOM 0 HA PHE A 60 10.049 -0.315 5.903 1.00 1.00 H new ATOM 0 HB2 PHE A 60 11.606 0.401 7.691 1.00 1.00 H new ATOM 0 HB3 PHE A 60 10.028 0.030 8.357 1.00 1.00 H new ATOM 0 HD1 PHE A 60 13.476 -1.290 7.879 1.00 1.00 H new ATOM 0 HD2 PHE A 60 9.722 -1.818 9.901 1.00 1.00 H new ATOM 0 HE1 PHE A 60 14.512 -2.985 9.364 1.00 1.00 H new ATOM 0 HE2 PHE A 60 10.760 -3.510 11.387 1.00 1.00 H new ATOM 0 HZ PHE A 60 13.155 -4.093 11.118 1.00 1.00 H new ATOM 955 N ILE A 61 12.499 -0.774 5.223 1.00 1.00 N ATOM 956 CA ILE A 61 13.714 -1.186 4.519 1.00 1.00 C ATOM 957 C ILE A 61 14.888 -0.314 4.933 1.00 1.00 C ATOM 958 O ILE A 61 14.710 0.847 5.298 1.00 1.00 O ATOM 959 CB ILE A 61 13.481 -1.070 3.007 1.00 1.00 C ATOM 960 CG1 ILE A 61 13.137 0.376 2.635 1.00 1.00 C ATOM 961 CG2 ILE A 61 12.311 -1.974 2.600 1.00 1.00 C ATOM 962 CD1 ILE A 61 12.998 0.499 1.114 1.00 1.00 C ATOM 0 H ILE A 61 12.304 0.226 5.170 1.00 1.00 H new ATOM 0 HA ILE A 61 13.947 -2.219 4.777 1.00 1.00 H new ATOM 0 HB ILE A 61 14.390 -1.373 2.488 1.00 1.00 H new ATOM 0 HG12 ILE A 61 12.208 0.675 3.120 1.00 1.00 H new ATOM 0 HG13 ILE A 61 13.915 1.049 2.994 1.00 1.00 H new ATOM 0 HG21 ILE A 61 12.145 -1.892 1.526 1.00 1.00 H new ATOM 0 HG22 ILE A 61 12.545 -3.008 2.853 1.00 1.00 H new ATOM 0 HG23 ILE A 61 11.411 -1.665 3.131 1.00 1.00 H new ATOM 0 HD11 ILE A 61 12.753 1.529 0.853 1.00 1.00 H new ATOM 0 HD12 ILE A 61 13.938 0.218 0.639 1.00 1.00 H new ATOM 0 HD13 ILE A 61 12.204 -0.162 0.767 1.00 1.00 H new ATOM 974 N SER A 62 16.091 -0.878 4.855 1.00 1.00 N ATOM 975 CA SER A 62 17.319 -0.154 5.201 1.00 1.00 C ATOM 976 C SER A 62 18.162 0.027 3.950 1.00 1.00 C ATOM 977 O SER A 62 18.566 -0.949 3.315 1.00 1.00 O ATOM 978 CB SER A 62 18.111 -0.944 6.236 1.00 1.00 C ATOM 979 OG SER A 62 17.335 -1.081 7.418 1.00 1.00 O ATOM 0 H SER A 62 16.245 -1.840 4.554 1.00 1.00 H new ATOM 0 HA SER A 62 17.060 0.820 5.616 1.00 1.00 H new ATOM 0 HB2 SER A 62 18.369 -1.927 5.841 1.00 1.00 H new ATOM 0 HB3 SER A 62 19.048 -0.434 6.460 1.00 1.00 H new ATOM 0 HG SER A 62 17.842 -1.590 8.085 1.00 1.00 H new ATOM 985 N ILE A 63 18.408 1.285 3.584 1.00 1.00 N ATOM 986 CA ILE A 63 19.187 1.601 2.385 1.00 1.00 C ATOM 987 C ILE A 63 20.583 2.064 2.776 1.00 1.00 C ATOM 988 O ILE A 63 20.747 3.117 3.392 1.00 1.00 O ATOM 989 CB ILE A 63 18.486 2.720 1.602 1.00 1.00 C ATOM 990 CG1 ILE A 63 17.021 2.332 1.336 1.00 1.00 C ATOM 991 CG2 ILE A 63 19.200 2.930 0.260 1.00 1.00 C ATOM 992 CD1 ILE A 63 16.260 3.542 0.790 1.00 1.00 C ATOM 0 H ILE A 63 18.080 2.102 4.100 1.00 1.00 H new ATOM 0 HA ILE A 63 19.265 0.707 1.766 1.00 1.00 H new ATOM 0 HB ILE A 63 18.519 3.639 2.187 1.00 1.00 H new ATOM 0 HG12 ILE A 63 16.976 1.509 0.622 1.00 1.00 H new ATOM 0 HG13 ILE A 63 16.554 1.981 2.257 1.00 1.00 H new ATOM 0 HG21 ILE A 63 18.703 3.724 -0.296 1.00 1.00 H new ATOM 0 HG22 ILE A 63 20.238 3.208 0.440 1.00 1.00 H new ATOM 0 HG23 ILE A 63 19.167 2.007 -0.318 1.00 1.00 H new ATOM 0 HD11 ILE A 63 15.223 3.265 0.602 1.00 1.00 H new ATOM 0 HD12 ILE A 63 16.293 4.352 1.519 1.00 1.00 H new ATOM 0 HD13 ILE A 63 16.721 3.872 -0.141 1.00 1.00 H new ATOM 1004 N ASP A 64 21.587 1.271 2.411 1.00 1.00 N ATOM 1005 CA ASP A 64 22.983 1.597 2.718 1.00 1.00 C ATOM 1006 C ASP A 64 23.654 2.245 1.515 1.00 1.00 C ATOM 1007 O ASP A 64 23.637 1.694 0.415 1.00 1.00 O ATOM 1008 CB ASP A 64 23.745 0.325 3.101 1.00 1.00 C ATOM 1009 CG ASP A 64 25.128 0.686 3.643 1.00 1.00 C ATOM 1010 OD1 ASP A 64 25.488 1.851 3.572 1.00 1.00 O ATOM 1011 OD2 ASP A 64 25.803 -0.207 4.125 1.00 1.00 O ATOM 0 H ASP A 64 21.463 0.396 1.901 1.00 1.00 H new ATOM 0 HA ASP A 64 22.998 2.296 3.554 1.00 1.00 H new ATOM 0 HB2 ASP A 64 23.185 -0.232 3.852 1.00 1.00 H new ATOM 0 HB3 ASP A 64 23.845 -0.325 2.231 1.00 1.00 H new ATOM 1016 N LYS A 65 24.245 3.422 1.728 1.00 1.00 N ATOM 1017 CA LYS A 65 24.926 4.145 0.655 1.00 1.00 C ATOM 1018 C LYS A 65 26.223 4.760 1.167 1.00 1.00 C ATOM 1019 O LYS A 65 26.298 5.215 2.308 1.00 1.00 O ATOM 1020 CB LYS A 65 24.007 5.246 0.114 1.00 1.00 C ATOM 1021 CG LYS A 65 22.595 4.685 -0.067 1.00 1.00 C ATOM 1022 CD LYS A 65 21.723 5.718 -0.791 1.00 1.00 C ATOM 1023 CE LYS A 65 21.574 6.997 0.060 1.00 1.00 C ATOM 1024 NZ LYS A 65 22.616 7.977 -0.346 1.00 1.00 N ATOM 0 H LYS A 65 24.265 3.893 2.632 1.00 1.00 H new ATOM 0 HA LYS A 65 25.165 3.445 -0.145 1.00 1.00 H new ATOM 0 HB2 LYS A 65 23.989 6.091 0.802 1.00 1.00 H new ATOM 0 HB3 LYS A 65 24.387 5.618 -0.837 1.00 1.00 H new ATOM 0 HG2 LYS A 65 22.631 3.758 -0.640 1.00 1.00 H new ATOM 0 HG3 LYS A 65 22.161 4.443 0.903 1.00 1.00 H new ATOM 0 HD2 LYS A 65 22.168 5.966 -1.755 1.00 1.00 H new ATOM 0 HD3 LYS A 65 20.740 5.293 -0.994 1.00 1.00 H new ATOM 0 HE2 LYS A 65 20.581 7.426 -0.077 1.00 1.00 H new ATOM 0 HE3 LYS A 65 21.675 6.758 1.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 22.231 8.941 -0.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 23.439 7.889 0.283 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 22.908 7.788 -1.326 1.00 1.00 H new ATOM 1038 N GLU A 66 27.238 4.773 0.313 1.00 1.00 N ATOM 1039 CA GLU A 66 28.529 5.336 0.683 1.00 1.00 C ATOM 1040 C GLU A 66 28.364 6.779 1.152 1.00 1.00 C ATOM 1041 O GLU A 66 27.309 7.386 0.968 1.00 1.00 O ATOM 1042 CB GLU A 66 29.478 5.291 -0.517 1.00 1.00 C ATOM 1043 CG GLU A 66 29.789 3.834 -0.870 1.00 1.00 C ATOM 1044 CD GLU A 66 30.648 3.760 -2.131 1.00 1.00 C ATOM 1045 OE1 GLU A 66 31.017 4.805 -2.640 1.00 1.00 O ATOM 1046 OE2 GLU A 66 30.923 2.656 -2.570 1.00 1.00 O ATOM 0 H GLU A 66 27.193 4.402 -0.636 1.00 1.00 H new ATOM 0 HA GLU A 66 28.947 4.745 1.498 1.00 1.00 H new ATOM 0 HB2 GLU A 66 29.025 5.794 -1.371 1.00 1.00 H new ATOM 0 HB3 GLU A 66 30.400 5.824 -0.285 1.00 1.00 H new ATOM 0 HG2 GLU A 66 30.309 3.356 -0.040 1.00 1.00 H new ATOM 0 HG3 GLU A 66 28.860 3.285 -1.023 1.00 1.00 H new ATOM 1053 N ASP A 67 29.417 7.319 1.753 1.00 1.00 N ATOM 1054 CA ASP A 67 29.387 8.692 2.241 1.00 1.00 C ATOM 1055 C ASP A 67 29.338 9.679 1.080 1.00 1.00 C ATOM 1056 O ASP A 67 28.890 10.814 1.239 1.00 1.00 O ATOM 1057 CB ASP A 67 30.624 8.973 3.096 1.00 1.00 C ATOM 1058 CG ASP A 67 31.895 8.760 2.276 1.00 1.00 C ATOM 1059 OD1 ASP A 67 31.783 8.311 1.145 1.00 1.00 O ATOM 1060 OD2 ASP A 67 32.961 9.047 2.791 1.00 1.00 O ATOM 0 H ASP A 67 30.298 6.830 1.914 1.00 1.00 H new ATOM 0 HA ASP A 67 28.489 8.817 2.846 1.00 1.00 H new ATOM 0 HB2 ASP A 67 30.591 9.996 3.470 1.00 1.00 H new ATOM 0 HB3 ASP A 67 30.630 8.316 3.966 1.00 1.00 H new ATOM 1065 N ASN A 68 29.811 9.245 -0.089 1.00 1.00 N ATOM 1066 CA ASN A 68 29.826 10.107 -1.269 1.00 1.00 C ATOM 1067 C ASN A 68 28.438 10.194 -1.893 1.00 1.00 C ATOM 1068 O ASN A 68 28.211 10.981 -2.814 1.00 1.00 O ATOM 1069 CB ASN A 68 30.815 9.557 -2.301 1.00 1.00 C ATOM 1070 CG ASN A 68 30.441 8.126 -2.671 1.00 1.00 C ATOM 1071 OD1 ASN A 68 31.012 7.177 -2.137 1.00 1.00 O ATOM 1072 ND2 ASN A 68 29.508 7.913 -3.559 1.00 1.00 N ATOM 0 H ASN A 68 30.186 8.309 -0.243 1.00 1.00 H new ATOM 0 HA ASN A 68 30.134 11.106 -0.960 1.00 1.00 H new ATOM 0 HB2 ASN A 68 30.810 10.185 -3.192 1.00 1.00 H new ATOM 0 HB3 ASN A 68 31.827 9.584 -1.897 1.00 1.00 H new ATOM 0 HD21 ASN A 68 29.252 6.958 -3.811 1.00 1.00 H new ATOM 0 HD22 ASN A 68 29.035 8.701 -4.001 1.00 1.00 H new ATOM 1079 N ALA A 69 27.507 9.389 -1.384 1.00 1.00 N ATOM 1080 CA ALA A 69 26.141 9.391 -1.898 1.00 1.00 C ATOM 1081 C ALA A 69 25.403 10.606 -1.393 1.00 1.00 C ATOM 1082 O ALA A 69 25.583 11.018 -0.246 1.00 1.00 O ATOM 1083 CB ALA A 69 25.418 8.105 -1.461 1.00 1.00 C ATOM 0 H ALA A 69 27.673 8.732 -0.622 1.00 1.00 H new ATOM 0 HA ALA A 69 26.167 9.427 -2.987 1.00 1.00 H new ATOM 0 HB1 ALA A 69 24.399 8.111 -1.847 1.00 1.00 H new ATOM 0 HB2 ALA A 69 25.949 7.238 -1.853 1.00 1.00 H new ATOM 0 HB3 ALA A 69 25.393 8.054 -0.372 1.00 1.00 H new ATOM 1089 N ASN A 70 24.561 11.178 -2.250 1.00 1.00 N ATOM 1090 CA ASN A 70 23.779 12.354 -1.886 1.00 1.00 C ATOM 1091 C ASN A 70 22.295 12.110 -2.161 1.00 1.00 C ATOM 1092 O ASN A 70 21.897 11.858 -3.298 1.00 1.00 O ATOM 1093 CB ASN A 70 24.258 13.564 -2.702 1.00 1.00 C ATOM 1094 CG ASN A 70 23.580 14.826 -2.191 1.00 1.00 C ATOM 1095 OD1 ASN A 70 23.697 15.892 -2.794 1.00 1.00 O ATOM 1096 ND2 ASN A 70 22.872 14.756 -1.104 1.00 1.00 N ATOM 0 H ASN A 70 24.404 10.845 -3.201 1.00 1.00 H new ATOM 0 HA ASN A 70 23.915 12.551 -0.823 1.00 1.00 H new ATOM 0 HB2 ASN A 70 25.341 13.663 -2.622 1.00 1.00 H new ATOM 0 HB3 ASN A 70 24.028 13.418 -3.757 1.00 1.00 H new ATOM 0 HD21 ASN A 70 22.407 15.589 -0.744 1.00 1.00 H new ATOM 0 HD22 ASN A 70 22.781 13.868 -0.611 1.00 1.00 H new ATOM 1103 N TRP A 71 21.480 12.190 -1.111 1.00 1.00 N ATOM 1104 CA TRP A 71 20.042 11.980 -1.247 1.00 1.00 C ATOM 1105 C TRP A 71 19.435 13.001 -2.205 1.00 1.00 C ATOM 1106 O TRP A 71 18.430 12.728 -2.861 1.00 1.00 O ATOM 1107 CB TRP A 71 19.357 12.096 0.120 1.00 1.00 C ATOM 1108 CG TRP A 71 19.758 10.947 0.989 1.00 1.00 C ATOM 1109 CD1 TRP A 71 20.780 10.952 1.876 1.00 1.00 C ATOM 1110 CD2 TRP A 71 19.155 9.628 1.064 1.00 1.00 C ATOM 1111 NE1 TRP A 71 20.842 9.713 2.489 1.00 1.00 N ATOM 1112 CE2 TRP A 71 19.859 8.864 2.021 1.00 1.00 C ATOM 1113 CE3 TRP A 71 18.073 9.027 0.397 1.00 1.00 C ATOM 1114 CZ2 TRP A 71 19.501 7.548 2.309 1.00 1.00 C ATOM 1115 CZ3 TRP A 71 17.710 7.702 0.684 1.00 1.00 C ATOM 1116 CH2 TRP A 71 18.424 6.965 1.637 1.00 1.00 C ATOM 0 H TRP A 71 21.790 12.398 -0.162 1.00 1.00 H new ATOM 0 HA TRP A 71 19.884 10.979 -1.649 1.00 1.00 H new ATOM 0 HB2 TRP A 71 19.633 13.037 0.596 1.00 1.00 H new ATOM 0 HB3 TRP A 71 18.274 12.108 -0.006 1.00 1.00 H new ATOM 0 HD1 TRP A 71 21.438 11.785 2.073 1.00 1.00 H new ATOM 0 HE1 TRP A 71 21.529 9.458 3.199 1.00 1.00 H new ATOM 0 HE3 TRP A 71 17.518 9.588 -0.340 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 20.052 6.983 3.046 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 16.877 7.249 0.168 1.00 1.00 H new ATOM 0 HH2 TRP A 71 18.142 5.945 1.853 1.00 1.00 H new ATOM 1127 N ASN A 72 20.049 14.174 -2.278 1.00 1.00 N ATOM 1128 CA ASN A 72 19.552 15.229 -3.151 1.00 1.00 C ATOM 1129 C ASN A 72 19.487 14.744 -4.593 1.00 1.00 C ATOM 1130 O ASN A 72 18.825 15.355 -5.434 1.00 1.00 O ATOM 1131 CB ASN A 72 20.466 16.453 -3.066 1.00 1.00 C ATOM 1132 CG ASN A 72 20.676 16.840 -1.607 1.00 1.00 C ATOM 1133 OD1 ASN A 72 21.666 17.493 -1.273 1.00 1.00 O ATOM 1134 ND2 ASN A 72 19.801 16.472 -0.712 1.00 1.00 N ATOM 0 H ASN A 72 20.886 14.418 -1.748 1.00 1.00 H new ATOM 0 HA ASN A 72 18.548 15.501 -2.824 1.00 1.00 H new ATOM 0 HB2 ASN A 72 21.425 16.235 -3.536 1.00 1.00 H new ATOM 0 HB3 ASN A 72 20.025 17.286 -3.613 1.00 1.00 H new ATOM 0 HD21 ASN A 72 19.936 16.725 0.267 1.00 1.00 H new ATOM 0 HD22 ASN A 72 18.982 15.931 -0.991 1.00 1.00 H new ATOM 1141 N GLU A 73 20.180 13.642 -4.879 1.00 1.00 N ATOM 1142 CA GLU A 73 20.199 13.075 -6.229 1.00 1.00 C ATOM 1143 C GLU A 73 19.195 11.933 -6.338 1.00 1.00 C ATOM 1144 O GLU A 73 18.613 11.712 -7.393 1.00 1.00 O ATOM 1145 CB GLU A 73 21.605 12.556 -6.548 1.00 1.00 C ATOM 1146 CG GLU A 73 22.575 13.737 -6.625 1.00 1.00 C ATOM 1147 CD GLU A 73 23.995 13.236 -6.865 1.00 1.00 C ATOM 1148 OE1 GLU A 73 24.356 12.233 -6.273 1.00 1.00 O ATOM 1149 OE2 GLU A 73 24.701 13.864 -7.636 1.00 1.00 O ATOM 0 H GLU A 73 20.734 13.125 -4.197 1.00 1.00 H new ATOM 0 HA GLU A 73 19.926 13.853 -6.942 1.00 1.00 H new ATOM 0 HB2 GLU A 73 21.929 11.854 -5.780 1.00 1.00 H new ATOM 0 HB3 GLU A 73 21.599 12.013 -7.493 1.00 1.00 H new ATOM 0 HG2 GLU A 73 22.278 14.409 -7.430 1.00 1.00 H new ATOM 0 HG3 GLU A 73 22.535 14.311 -5.699 1.00 1.00 H new ATOM 1156 N LEU A 74 19.022 11.176 -5.258 1.00 1.00 N ATOM 1157 CA LEU A 74 18.103 10.041 -5.268 1.00 1.00 C ATOM 1158 C LEU A 74 16.656 10.512 -5.228 1.00 1.00 C ATOM 1159 O LEU A 74 15.798 9.949 -5.902 1.00 1.00 O ATOM 1160 CB LEU A 74 18.368 9.126 -4.055 1.00 1.00 C ATOM 1161 CG LEU A 74 19.603 8.239 -4.303 1.00 1.00 C ATOM 1162 CD1 LEU A 74 20.885 9.084 -4.220 1.00 1.00 C ATOM 1163 CD2 LEU A 74 19.657 7.139 -3.243 1.00 1.00 C ATOM 0 H LEU A 74 19.502 11.326 -4.371 1.00 1.00 H new ATOM 0 HA LEU A 74 18.271 9.486 -6.191 1.00 1.00 H new ATOM 0 HB2 LEU A 74 18.523 9.732 -3.162 1.00 1.00 H new ATOM 0 HB3 LEU A 74 17.496 8.500 -3.868 1.00 1.00 H new ATOM 0 HG LEU A 74 19.529 7.796 -5.296 1.00 1.00 H new ATOM 0 HD11 LEU A 74 21.752 8.448 -4.397 1.00 1.00 H new ATOM 0 HD12 LEU A 74 20.852 9.870 -4.974 1.00 1.00 H new ATOM 0 HD13 LEU A 74 20.961 9.534 -3.230 1.00 1.00 H new ATOM 0 HD21 LEU A 74 20.530 6.510 -3.416 1.00 1.00 H new ATOM 0 HD22 LEU A 74 19.725 7.590 -2.253 1.00 1.00 H new ATOM 0 HD23 LEU A 74 18.754 6.531 -3.303 1.00 1.00 H new ATOM 1175 N LEU A 75 16.397 11.548 -4.431 1.00 1.00 N ATOM 1176 CA LEU A 75 15.044 12.092 -4.300 1.00 1.00 C ATOM 1177 C LEU A 75 14.346 12.168 -5.666 1.00 1.00 C ATOM 1178 O LEU A 75 13.322 11.522 -5.876 1.00 1.00 O ATOM 1179 CB LEU A 75 15.094 13.509 -3.656 1.00 1.00 C ATOM 1180 CG LEU A 75 14.683 13.474 -2.170 1.00 1.00 C ATOM 1181 CD1 LEU A 75 15.766 12.764 -1.355 1.00 1.00 C ATOM 1182 CD2 LEU A 75 14.511 14.909 -1.662 1.00 1.00 C ATOM 0 H LEU A 75 17.101 12.026 -3.869 1.00 1.00 H new ATOM 0 HA LEU A 75 14.473 11.423 -3.656 1.00 1.00 H new ATOM 0 HB2 LEU A 75 16.102 13.914 -3.746 1.00 1.00 H new ATOM 0 HB3 LEU A 75 14.431 14.180 -4.201 1.00 1.00 H new ATOM 0 HG LEU A 75 13.743 12.934 -2.062 1.00 1.00 H new ATOM 0 HD11 LEU A 75 15.474 12.740 -0.305 1.00 1.00 H new ATOM 0 HD12 LEU A 75 15.887 11.745 -1.721 1.00 1.00 H new ATOM 0 HD13 LEU A 75 16.709 13.301 -1.457 1.00 1.00 H new ATOM 0 HD21 LEU A 75 14.220 14.891 -0.612 1.00 1.00 H new ATOM 0 HD22 LEU A 75 15.452 15.448 -1.769 1.00 1.00 H new ATOM 0 HD23 LEU A 75 13.738 15.411 -2.244 1.00 1.00 H new ATOM 1194 N PRO A 76 14.871 12.946 -6.582 1.00 1.00 N ATOM 1195 CA PRO A 76 14.249 13.104 -7.929 1.00 1.00 C ATOM 1196 C PRO A 76 14.171 11.777 -8.687 1.00 1.00 C ATOM 1197 O PRO A 76 13.297 11.593 -9.532 1.00 1.00 O ATOM 1198 CB PRO A 76 15.176 14.120 -8.643 1.00 1.00 C ATOM 1199 CG PRO A 76 16.480 14.005 -7.924 1.00 1.00 C ATOM 1200 CD PRO A 76 16.104 13.758 -6.464 1.00 1.00 C ATOM 0 HA PRO A 76 13.215 13.444 -7.872 1.00 1.00 H new ATOM 0 HB2 PRO A 76 15.284 13.883 -9.701 1.00 1.00 H new ATOM 0 HB3 PRO A 76 14.777 15.132 -8.582 1.00 1.00 H new ATOM 0 HG2 PRO A 76 17.079 13.186 -8.322 1.00 1.00 H new ATOM 0 HG3 PRO A 76 17.072 14.914 -8.031 1.00 1.00 H new ATOM 0 HD2 PRO A 76 16.890 13.226 -5.927 1.00 1.00 H new ATOM 0 HD3 PRO A 76 15.926 14.690 -5.928 1.00 1.00 H new ATOM 1208 N GLN A 77 15.086 10.858 -8.389 1.00 1.00 N ATOM 1209 CA GLN A 77 15.095 9.556 -9.061 1.00 1.00 C ATOM 1210 C GLN A 77 14.002 8.637 -8.516 1.00 1.00 C ATOM 1211 O GLN A 77 13.198 8.094 -9.270 1.00 1.00 O ATOM 1212 CB GLN A 77 16.464 8.894 -8.880 1.00 1.00 C ATOM 1213 CG GLN A 77 17.526 9.701 -9.632 1.00 1.00 C ATOM 1214 CD GLN A 77 18.907 9.104 -9.384 1.00 1.00 C ATOM 1215 OE1 GLN A 77 19.252 8.783 -8.248 1.00 1.00 O ATOM 1216 NE2 GLN A 77 19.722 8.933 -10.388 1.00 1.00 N ATOM 0 H GLN A 77 15.823 10.985 -7.696 1.00 1.00 H new ATOM 0 HA GLN A 77 14.899 9.721 -10.121 1.00 1.00 H new ATOM 0 HB2 GLN A 77 16.716 8.839 -7.821 1.00 1.00 H new ATOM 0 HB3 GLN A 77 16.437 7.871 -9.254 1.00 1.00 H new ATOM 0 HG2 GLN A 77 17.307 9.700 -10.700 1.00 1.00 H new ATOM 0 HG3 GLN A 77 17.505 10.740 -9.303 1.00 1.00 H new ATOM 0 HE21 GLN A 77 19.434 9.200 -11.330 1.00 1.00 H new ATOM 0 HE22 GLN A 77 20.647 8.533 -10.232 1.00 1.00 H new ATOM 1225 N ILE A 78 13.996 8.458 -7.198 1.00 1.00 N ATOM 1226 CA ILE A 78 13.014 7.588 -6.555 1.00 1.00 C ATOM 1227 C ILE A 78 11.621 8.209 -6.598 1.00 1.00 C ATOM 1228 O ILE A 78 10.636 7.526 -6.876 1.00 1.00 O ATOM 1229 CB ILE A 78 13.438 7.304 -5.105 1.00 1.00 C ATOM 1230 CG1 ILE A 78 13.320 8.592 -4.255 1.00 1.00 C ATOM 1231 CG2 ILE A 78 14.890 6.791 -5.100 1.00 1.00 C ATOM 1232 CD1 ILE A 78 13.960 8.399 -2.872 1.00 1.00 C ATOM 0 H ILE A 78 14.655 8.900 -6.557 1.00 1.00 H new ATOM 0 HA ILE A 78 12.974 6.646 -7.102 1.00 1.00 H new ATOM 0 HB ILE A 78 12.784 6.547 -4.672 1.00 1.00 H new ATOM 0 HG12 ILE A 78 13.806 9.419 -4.772 1.00 1.00 H new ATOM 0 HG13 ILE A 78 12.270 8.861 -4.140 1.00 1.00 H new ATOM 0 HG21 ILE A 78 15.200 6.587 -4.075 1.00 1.00 H new ATOM 0 HG22 ILE A 78 14.954 5.876 -5.688 1.00 1.00 H new ATOM 0 HG23 ILE A 78 15.545 7.547 -5.533 1.00 1.00 H new ATOM 0 HD11 ILE A 78 13.864 9.319 -2.295 1.00 1.00 H new ATOM 0 HD12 ILE A 78 13.456 7.587 -2.348 1.00 1.00 H new ATOM 0 HD13 ILE A 78 15.016 8.154 -2.991 1.00 1.00 H new ATOM 1244 N GLU A 79 11.545 9.503 -6.301 1.00 1.00 N ATOM 1245 CA GLU A 79 10.263 10.201 -6.284 1.00 1.00 C ATOM 1246 C GLU A 79 9.516 9.967 -7.590 1.00 1.00 C ATOM 1247 O GLU A 79 8.287 9.901 -7.611 1.00 1.00 O ATOM 1248 CB GLU A 79 10.491 11.701 -6.069 1.00 1.00 C ATOM 1249 CG GLU A 79 9.145 12.418 -5.925 1.00 1.00 C ATOM 1250 CD GLU A 79 9.370 13.898 -5.629 1.00 1.00 C ATOM 1251 OE1 GLU A 79 10.478 14.248 -5.254 1.00 1.00 O ATOM 1252 OE2 GLU A 79 8.431 14.662 -5.785 1.00 1.00 O ATOM 0 H GLU A 79 12.349 10.086 -6.070 1.00 1.00 H new ATOM 0 HA GLU A 79 9.660 9.811 -5.464 1.00 1.00 H new ATOM 0 HB2 GLU A 79 11.096 11.861 -5.176 1.00 1.00 H new ATOM 0 HB3 GLU A 79 11.047 12.117 -6.909 1.00 1.00 H new ATOM 0 HG2 GLU A 79 8.564 12.306 -6.841 1.00 1.00 H new ATOM 0 HG3 GLU A 79 8.565 11.962 -5.122 1.00 1.00 H new ATOM 1259 N ASN A 80 10.267 9.833 -8.671 1.00 1.00 N ATOM 1260 CA ASN A 80 9.668 9.593 -9.973 1.00 1.00 C ATOM 1261 C ASN A 80 8.957 8.242 -9.986 1.00 1.00 C ATOM 1262 O ASN A 80 7.888 8.103 -10.568 1.00 1.00 O ATOM 1263 CB ASN A 80 10.745 9.628 -11.064 1.00 1.00 C ATOM 1264 CG ASN A 80 11.292 11.045 -11.222 1.00 1.00 C ATOM 1265 OD1 ASN A 80 12.208 11.272 -12.012 1.00 1.00 O ATOM 1266 ND2 ASN A 80 10.791 12.015 -10.505 1.00 1.00 N ATOM 0 H ASN A 80 11.286 9.886 -8.673 1.00 1.00 H new ATOM 0 HA ASN A 80 8.938 10.377 -10.171 1.00 1.00 H new ATOM 0 HB2 ASN A 80 11.555 8.945 -10.808 1.00 1.00 H new ATOM 0 HB3 ASN A 80 10.326 9.285 -12.010 1.00 1.00 H new ATOM 0 HD21 ASN A 80 11.159 12.962 -10.600 1.00 1.00 H new ATOM 0 HD22 ASN A 80 10.032 11.826 -9.851 1.00 1.00 H new ATOM 1273 N THR A 81 9.561 7.246 -9.350 1.00 1.00 N ATOM 1274 CA THR A 81 8.968 5.918 -9.314 1.00 1.00 C ATOM 1275 C THR A 81 7.633 5.945 -8.588 1.00 1.00 C ATOM 1276 O THR A 81 6.624 5.459 -9.101 1.00 1.00 O ATOM 1277 CB THR A 81 9.921 4.950 -8.615 1.00 1.00 C ATOM 1278 OG1 THR A 81 11.133 4.904 -9.341 1.00 1.00 O ATOM 1279 CG2 THR A 81 9.314 3.545 -8.573 1.00 1.00 C ATOM 0 H THR A 81 10.450 7.331 -8.858 1.00 1.00 H new ATOM 0 HA THR A 81 8.796 5.584 -10.337 1.00 1.00 H new ATOM 0 HB THR A 81 10.097 5.292 -7.595 1.00 1.00 H new ATOM 0 HG1 THR A 81 11.297 3.987 -9.646 1.00 1.00 H new ATOM 0 HG21 THR A 81 10.004 2.866 -8.072 1.00 1.00 H new ATOM 0 HG22 THR A 81 8.371 3.572 -8.027 1.00 1.00 H new ATOM 0 HG23 THR A 81 9.135 3.196 -9.590 1.00 1.00 H new ATOM 1287 N PHE A 82 7.632 6.531 -7.398 1.00 1.00 N ATOM 1288 CA PHE A 82 6.414 6.633 -6.615 1.00 1.00 C ATOM 1289 C PHE A 82 5.372 7.469 -7.371 1.00 1.00 C ATOM 1290 O PHE A 82 4.211 7.085 -7.475 1.00 1.00 O ATOM 1291 CB PHE A 82 6.734 7.275 -5.245 1.00 1.00 C ATOM 1292 CG PHE A 82 5.499 7.956 -4.688 1.00 1.00 C ATOM 1293 CD1 PHE A 82 4.597 7.245 -3.890 1.00 1.00 C ATOM 1294 CD2 PHE A 82 5.248 9.292 -5.014 1.00 1.00 C ATOM 1295 CE1 PHE A 82 3.442 7.875 -3.410 1.00 1.00 C ATOM 1296 CE2 PHE A 82 4.097 9.926 -4.533 1.00 1.00 C ATOM 1297 CZ PHE A 82 3.191 9.217 -3.732 1.00 1.00 C ATOM 0 H PHE A 82 8.457 6.940 -6.958 1.00 1.00 H new ATOM 0 HA PHE A 82 6.003 5.637 -6.451 1.00 1.00 H new ATOM 0 HB2 PHE A 82 7.083 6.512 -4.549 1.00 1.00 H new ATOM 0 HB3 PHE A 82 7.541 8.000 -5.354 1.00 1.00 H new ATOM 0 HD1 PHE A 82 4.791 6.211 -3.644 1.00 1.00 H new ATOM 0 HD2 PHE A 82 5.943 9.835 -5.637 1.00 1.00 H new ATOM 0 HE1 PHE A 82 2.745 7.328 -2.792 1.00 1.00 H new ATOM 0 HE2 PHE A 82 3.907 10.960 -4.779 1.00 1.00 H new ATOM 0 HZ PHE A 82 2.300 9.704 -3.363 1.00 1.00 H new ATOM 1307 N ALA A 83 5.795 8.623 -7.863 1.00 1.00 N ATOM 1308 CA ALA A 83 4.884 9.512 -8.571 1.00 1.00 C ATOM 1309 C ALA A 83 4.334 8.838 -9.823 1.00 1.00 C ATOM 1310 O ALA A 83 3.151 8.970 -10.140 1.00 1.00 O ATOM 1311 CB ALA A 83 5.608 10.802 -8.958 1.00 1.00 C ATOM 0 H ALA A 83 6.753 8.965 -7.787 1.00 1.00 H new ATOM 0 HA ALA A 83 4.052 9.747 -7.908 1.00 1.00 H new ATOM 0 HB1 ALA A 83 4.920 11.461 -9.487 1.00 1.00 H new ATOM 0 HB2 ALA A 83 5.969 11.301 -8.058 1.00 1.00 H new ATOM 0 HB3 ALA A 83 6.453 10.565 -9.605 1.00 1.00 H new ATOM 1317 N LYS A 84 5.200 8.121 -10.532 1.00 1.00 N ATOM 1318 CA LYS A 84 4.801 7.431 -11.760 1.00 1.00 C ATOM 1319 C LYS A 84 4.059 6.147 -11.443 1.00 1.00 C ATOM 1320 O LYS A 84 3.722 5.373 -12.338 1.00 1.00 O ATOM 1321 CB LYS A 84 6.053 7.121 -12.596 1.00 1.00 C ATOM 1322 CG LYS A 84 6.727 8.439 -13.048 1.00 1.00 C ATOM 1323 CD LYS A 84 6.065 8.976 -14.340 1.00 1.00 C ATOM 1324 CE LYS A 84 6.417 10.451 -14.525 1.00 1.00 C ATOM 1325 NZ LYS A 84 7.891 10.590 -14.691 1.00 1.00 N ATOM 0 H LYS A 84 6.181 8.001 -10.280 1.00 1.00 H new ATOM 0 HA LYS A 84 4.130 8.078 -12.325 1.00 1.00 H new ATOM 0 HB2 LYS A 84 6.754 6.527 -12.010 1.00 1.00 H new ATOM 0 HB3 LYS A 84 5.780 6.525 -13.467 1.00 1.00 H new ATOM 0 HG2 LYS A 84 6.648 9.184 -12.256 1.00 1.00 H new ATOM 0 HG3 LYS A 84 7.790 8.269 -13.221 1.00 1.00 H new ATOM 0 HD2 LYS A 84 6.405 8.400 -15.201 1.00 1.00 H new ATOM 0 HD3 LYS A 84 4.983 8.855 -14.283 1.00 1.00 H new ATOM 0 HE2 LYS A 84 5.902 10.853 -15.398 1.00 1.00 H new ATOM 0 HE3 LYS A 84 6.081 11.028 -13.663 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 8.114 11.552 -15.017 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 8.361 10.415 -13.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 8.228 9.900 -15.392 1.00 1.00 H new ATOM 1339 N SER A 85 3.812 5.926 -10.165 1.00 1.00 N ATOM 1340 CA SER A 85 3.107 4.720 -9.740 1.00 1.00 C ATOM 1341 C SER A 85 1.747 4.628 -10.424 1.00 1.00 C ATOM 1342 O SER A 85 1.335 3.555 -10.861 1.00 1.00 O ATOM 1343 CB SER A 85 2.907 4.721 -8.225 1.00 1.00 C ATOM 1344 OG SER A 85 4.173 4.677 -7.587 1.00 1.00 O ATOM 0 H SER A 85 4.083 6.554 -9.408 1.00 1.00 H new ATOM 0 HA SER A 85 3.713 3.859 -10.023 1.00 1.00 H new ATOM 0 HB2 SER A 85 2.363 5.614 -7.919 1.00 1.00 H new ATOM 0 HB3 SER A 85 2.305 3.863 -7.925 1.00 1.00 H new ATOM 0 HG SER A 85 4.236 5.405 -6.935 1.00 1.00 H new ATOM 1350 N ASN A 86 1.055 5.761 -10.512 1.00 1.00 N ATOM 1351 CA ASN A 86 -0.260 5.796 -11.146 1.00 1.00 C ATOM 1352 C ASN A 86 -1.184 4.748 -10.530 1.00 1.00 C ATOM 1353 O ASN A 86 -1.262 3.661 -11.077 1.00 1.00 O ATOM 1354 CB ASN A 86 -0.120 5.538 -12.649 1.00 1.00 C ATOM 1355 CG ASN A 86 0.676 6.664 -13.300 1.00 1.00 C ATOM 1356 OD1 ASN A 86 0.563 7.821 -12.895 1.00 1.00 O ATOM 1357 ND2 ASN A 86 1.482 6.392 -14.290 1.00 1.00 N ATOM 0 H ASN A 86 1.379 6.660 -10.156 1.00 1.00 H new ATOM 0 HA ASN A 86 -0.694 6.783 -10.984 1.00 1.00 H new ATOM 0 HB2 ASN A 86 0.380 4.584 -12.817 1.00 1.00 H new ATOM 0 HB3 ASN A 86 -1.106 5.467 -13.107 1.00 1.00 H new ATOM 0 HD21 ASN A 86 2.020 7.139 -14.730 1.00 1.00 H new ATOM 0 HD22 ASN A 86 1.574 5.433 -14.624 1.00 1.00 H new TER 1364 ASN A 86