USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 80 LYS NZ :NH3+ -151:sc= -0.782 (180deg=-0.178) USER MOD Set 1.2: A 84 GLN :FLIP amide:sc= -0.784 F(o=-4.6,f=-1.6) USER MOD Set 2.1: A 4 ASN : amide:sc= -2.56! C(o=-5.7!,f=-8.6!) USER MOD Set 2.2: A 6 THR OG1 : rot -74:sc= -0.886 USER MOD Set 2.3: A 36 ASN : amide:sc= -0.939 K(o=-5.7,f=-9.3!) USER MOD Set 2.4: A 38 HIS :FLIP no HD1:sc= -1.33 F(o=-7.1,f=-5.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0238) USER MOD Single : A 2 THR OG1 : rot 78:sc= 0.967 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -106:sc= -0.297 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0772 K(o=-0.077,f=-0.58) USER MOD Single : A 10 MET CE :methyl 135:sc= -2.54! (180deg=-4.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 18 GLN : amide:sc= -0.763 X(o=-0.76,f=-0.28) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -3.8 F(o=-5.1!,f=-3.8) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.109 (180deg=-0.37) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.021) USER MOD Single : A 32 THR OG1 : rot 64:sc= -3.85! USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.541 F(o=-1.9,f=-0.54) USER MOD Single : A 42 SER OG : rot 149:sc= -0.635 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 55 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.065) USER MOD Single : A 56 THR OG1 : rot -58:sc= 1.11 USER MOD Single : A 58 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -113:sc= 0.5 (180deg=-0.392) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.651 F(o=-1.2,f=-0.65) USER MOD Single : A 70 MET CE :methyl -148:sc= -0.123 (180deg=-0.9) USER MOD Single : A 71 TYR OH : rot -22:sc= -0.346 USER MOD Single : A 72 THR OG1 : rot -179:sc= -1.26 USER MOD Single : A 75 ASN : amide:sc= 1.17 K(o=1.2,f=-0.4) USER MOD Single : A 79 ASN : amide:sc= -0.012 K(o=-0.012,f=-1.3) USER MOD Single : A 86 ASN : amide:sc= -3.66 K(o=-3.7,f=-6.1!) USER MOD Single : A 87 LYS NZ :NH3+ 164:sc= -0.285 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.627 -0.342 -6.781 1.00 0.00 N ATOM 2 CA MET A 1 185.785 -0.951 -8.127 1.00 0.00 C ATOM 3 C MET A 1 184.851 -2.143 -8.308 1.00 0.00 C ATOM 4 O MET A 1 184.056 -2.186 -9.248 1.00 0.00 O ATOM 5 CB MET A 1 187.240 -1.390 -8.297 1.00 0.00 C ATOM 6 CG MET A 1 187.530 -2.030 -9.646 1.00 0.00 C ATOM 7 SD MET A 1 189.292 -2.087 -10.024 1.00 0.00 S ATOM 8 CE MET A 1 189.613 -3.842 -9.874 1.00 0.00 C ATOM 0 H1 MET A 1 186.212 0.516 -6.717 1.00 0.00 H new ATOM 0 H2 MET A 1 184.629 -0.093 -6.628 1.00 0.00 H new ATOM 0 H3 MET A 1 185.929 -1.022 -6.055 1.00 0.00 H new ATOM 0 HA MET A 1 185.524 -0.212 -8.885 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.889 -0.524 -8.168 1.00 0.00 H new ATOM 0 HB3 MET A 1 187.492 -2.098 -7.507 1.00 0.00 H new ATOM 0 HG2 MET A 1 187.127 -3.043 -9.657 1.00 0.00 H new ATOM 0 HG3 MET A 1 187.013 -1.472 -10.427 1.00 0.00 H new ATOM 0 HE1 MET A 1 190.665 -4.038 -10.079 1.00 0.00 H new ATOM 0 HE2 MET A 1 189.373 -4.171 -8.863 1.00 0.00 H new ATOM 0 HE3 MET A 1 188.996 -4.387 -10.588 1.00 0.00 H new ATOM 20 N THR A 2 184.952 -3.111 -7.402 1.00 0.00 N ATOM 21 CA THR A 2 184.116 -4.305 -7.462 1.00 0.00 C ATOM 22 C THR A 2 182.807 -4.093 -6.709 1.00 0.00 C ATOM 23 O THR A 2 182.700 -4.418 -5.528 1.00 0.00 O ATOM 24 CB THR A 2 184.864 -5.505 -6.879 1.00 0.00 C ATOM 25 OG1 THR A 2 186.245 -5.434 -7.187 1.00 0.00 O ATOM 26 CG2 THR A 2 184.349 -6.834 -7.385 1.00 0.00 C ATOM 0 H THR A 2 185.604 -3.092 -6.618 1.00 0.00 H new ATOM 0 HA THR A 2 183.883 -4.503 -8.508 1.00 0.00 H new ATOM 0 HB THR A 2 184.697 -5.454 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 2 186.681 -4.791 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.923 -7.643 -6.932 1.00 0.00 H new ATOM 0 HG22 THR A 2 183.298 -6.942 -7.119 1.00 0.00 H new ATOM 0 HG23 THR A 2 184.455 -6.876 -8.469 1.00 0.00 H new ATOM 34 N MET A 3 181.811 -3.549 -7.403 1.00 0.00 N ATOM 35 CA MET A 3 180.506 -3.295 -6.802 1.00 0.00 C ATOM 36 C MET A 3 179.921 -4.572 -6.207 1.00 0.00 C ATOM 37 O MET A 3 179.231 -5.328 -6.890 1.00 0.00 O ATOM 38 CB MET A 3 179.546 -2.720 -7.845 1.00 0.00 C ATOM 39 CG MET A 3 178.222 -2.251 -7.264 1.00 0.00 C ATOM 40 SD MET A 3 177.345 -1.117 -8.356 1.00 0.00 S ATOM 41 CE MET A 3 176.910 0.189 -7.209 1.00 0.00 C ATOM 0 H MET A 3 181.883 -3.276 -8.383 1.00 0.00 H new ATOM 0 HA MET A 3 180.639 -2.570 -5.999 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.029 -1.882 -8.348 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.352 -3.478 -8.604 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.591 -3.117 -7.064 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.403 -1.761 -6.308 1.00 0.00 H new ATOM 0 HE1 MET A 3 176.360 0.969 -7.737 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.287 -0.219 -6.413 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.818 0.613 -6.779 1.00 0.00 H new ATOM 51 N ASN A 4 180.208 -4.810 -4.931 1.00 0.00 N ATOM 52 CA ASN A 4 179.717 -5.998 -4.244 1.00 0.00 C ATOM 53 C ASN A 4 178.545 -5.660 -3.327 1.00 0.00 C ATOM 54 O ASN A 4 178.562 -4.646 -2.629 1.00 0.00 O ATOM 55 CB ASN A 4 180.841 -6.644 -3.433 1.00 0.00 C ATOM 56 CG ASN A 4 181.791 -7.449 -4.297 1.00 0.00 C ATOM 57 OD1 ASN A 4 182.268 -6.972 -5.327 1.00 0.00 O ATOM 58 ND2 ASN A 4 182.072 -8.678 -3.880 1.00 0.00 N ATOM 0 H ASN A 4 180.779 -4.194 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 4 179.369 -6.702 -5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.400 -5.868 -2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.409 -7.293 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 4 182.706 -9.267 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 4 181.654 -9.033 -3.020 1.00 0.00 H new ATOM 65 N ILE A 5 177.532 -6.521 -3.333 1.00 0.00 N ATOM 66 CA ILE A 5 176.352 -6.322 -2.499 1.00 0.00 C ATOM 67 C ILE A 5 175.819 -7.658 -1.988 1.00 0.00 C ATOM 68 O ILE A 5 175.557 -8.572 -2.770 1.00 0.00 O ATOM 69 CB ILE A 5 175.234 -5.588 -3.267 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.733 -4.232 -3.767 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.006 -5.407 -2.384 1.00 0.00 C ATOM 72 CD1 ILE A 5 176.273 -4.269 -5.180 1.00 0.00 C ATOM 0 H ILE A 5 177.505 -7.364 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 5 176.657 -5.706 -1.653 1.00 0.00 H new ATOM 0 HB ILE A 5 174.953 -6.195 -4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.915 -3.513 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.514 -3.872 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.229 -4.887 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.636 -6.383 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.273 -4.821 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 5 176.609 -3.273 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 5 177.112 -4.963 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 5 175.488 -4.598 -5.861 1.00 0.00 H new ATOM 84 N THR A 6 175.664 -7.764 -0.673 1.00 0.00 N ATOM 85 CA THR A 6 175.163 -8.988 -0.058 1.00 0.00 C ATOM 86 C THR A 6 173.968 -8.695 0.846 1.00 0.00 C ATOM 87 O THR A 6 174.096 -8.651 2.069 1.00 0.00 O ATOM 88 CB THR A 6 176.274 -9.673 0.744 1.00 0.00 C ATOM 89 OG1 THR A 6 177.384 -8.808 0.908 1.00 0.00 O ATOM 90 CG2 THR A 6 176.778 -10.945 0.099 1.00 0.00 C ATOM 0 H THR A 6 175.878 -7.017 -0.012 1.00 0.00 H new ATOM 0 HA THR A 6 174.835 -9.657 -0.853 1.00 0.00 H new ATOM 0 HB THR A 6 175.823 -9.923 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.870 -8.735 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.563 -11.380 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 6 175.956 -11.655 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 6 177.178 -10.718 -0.889 1.00 0.00 H new ATOM 98 N SER A 7 172.805 -8.499 0.231 1.00 0.00 N ATOM 99 CA SER A 7 171.585 -8.213 0.979 1.00 0.00 C ATOM 100 C SER A 7 170.884 -9.505 1.386 1.00 0.00 C ATOM 101 O SER A 7 170.799 -10.450 0.600 1.00 0.00 O ATOM 102 CB SER A 7 170.643 -7.346 0.143 1.00 0.00 C ATOM 103 OG SER A 7 171.119 -6.014 0.057 1.00 0.00 O ATOM 0 H SER A 7 172.682 -8.533 -0.781 1.00 0.00 H new ATOM 0 HA SER A 7 171.859 -7.670 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.548 -7.767 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.648 -7.352 0.587 1.00 0.00 H new ATOM 0 HG SER A 7 170.570 -5.433 0.624 1.00 0.00 H new ATOM 109 N LYS A 8 170.388 -9.540 2.618 1.00 0.00 N ATOM 110 CA LYS A 8 169.698 -10.719 3.128 1.00 0.00 C ATOM 111 C LYS A 8 168.188 -10.594 2.951 1.00 0.00 C ATOM 112 O LYS A 8 167.586 -9.599 3.352 1.00 0.00 O ATOM 113 CB LYS A 8 170.032 -10.929 4.607 1.00 0.00 C ATOM 114 CG LYS A 8 171.523 -10.934 4.901 1.00 0.00 C ATOM 115 CD LYS A 8 171.805 -11.369 6.331 1.00 0.00 C ATOM 116 CE LYS A 8 172.081 -12.862 6.416 1.00 0.00 C ATOM 117 NZ LYS A 8 171.360 -13.497 7.552 1.00 0.00 N ATOM 0 H LYS A 8 170.451 -8.767 3.281 1.00 0.00 H new ATOM 0 HA LYS A 8 170.040 -11.581 2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.558 -10.142 5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 8 169.602 -11.875 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 8 172.030 -11.606 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 8 171.932 -9.937 4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 8 172.662 -10.817 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 8 170.953 -11.119 6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 8 171.781 -13.340 5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 8 173.153 -13.027 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 171.575 -14.514 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 171.664 -13.059 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 170.336 -13.362 7.432 1.00 0.00 H new ATOM 131 N GLN A 9 167.587 -11.622 2.349 1.00 0.00 N ATOM 132 CA GLN A 9 166.140 -11.659 2.111 1.00 0.00 C ATOM 133 C GLN A 9 165.594 -10.286 1.714 1.00 0.00 C ATOM 134 O GLN A 9 164.486 -9.915 2.099 1.00 0.00 O ATOM 135 CB GLN A 9 165.381 -12.189 3.344 1.00 0.00 C ATOM 136 CG GLN A 9 166.243 -12.434 4.579 1.00 0.00 C ATOM 137 CD GLN A 9 166.034 -11.384 5.653 1.00 0.00 C ATOM 138 OE1 GLN A 9 165.954 -11.701 6.841 1.00 0.00 O ATOM 139 NE2 GLN A 9 165.944 -10.124 5.244 1.00 0.00 N ATOM 0 H GLN A 9 168.084 -12.447 2.014 1.00 0.00 H new ATOM 0 HA GLN A 9 165.977 -12.344 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.597 -11.477 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 9 164.887 -13.122 3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 9 166.014 -13.418 4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 9 167.293 -12.447 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 9 166.016 -9.904 4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 9 165.803 -9.376 5.923 1.00 0.00 H new ATOM 148 N MET A 10 166.374 -9.538 0.940 1.00 0.00 N ATOM 149 CA MET A 10 165.956 -8.213 0.497 1.00 0.00 C ATOM 150 C MET A 10 166.825 -7.715 -0.654 1.00 0.00 C ATOM 151 O MET A 10 167.784 -6.973 -0.443 1.00 0.00 O ATOM 152 CB MET A 10 166.011 -7.220 1.662 1.00 0.00 C ATOM 153 CG MET A 10 165.715 -5.784 1.258 1.00 0.00 C ATOM 154 SD MET A 10 164.150 -5.615 0.381 1.00 0.00 S ATOM 155 CE MET A 10 163.076 -6.616 1.407 1.00 0.00 C ATOM 0 H MET A 10 167.295 -9.825 0.608 1.00 0.00 H new ATOM 0 HA MET A 10 164.929 -8.289 0.140 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.295 -7.528 2.424 1.00 0.00 H new ATOM 0 HB3 MET A 10 167.000 -7.263 2.118 1.00 0.00 H new ATOM 0 HG2 MET A 10 165.697 -5.157 2.149 1.00 0.00 H new ATOM 0 HG3 MET A 10 166.523 -5.415 0.626 1.00 0.00 H new ATOM 0 HE1 MET A 10 162.138 -6.087 1.576 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.874 -7.563 0.907 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.562 -6.807 2.364 1.00 0.00 H new ATOM 165 N GLU A 11 166.481 -8.119 -1.871 1.00 0.00 N ATOM 166 CA GLU A 11 167.228 -7.703 -3.052 1.00 0.00 C ATOM 167 C GLU A 11 167.238 -6.183 -3.177 1.00 0.00 C ATOM 168 O GLU A 11 166.334 -5.505 -2.689 1.00 0.00 O ATOM 169 CB GLU A 11 166.624 -8.327 -4.311 1.00 0.00 C ATOM 170 CG GLU A 11 165.138 -8.050 -4.474 1.00 0.00 C ATOM 171 CD GLU A 11 164.865 -6.829 -5.331 1.00 0.00 C ATOM 172 OE1 GLU A 11 165.055 -5.699 -4.833 1.00 0.00 O ATOM 173 OE2 GLU A 11 164.460 -7.003 -6.499 1.00 0.00 O ATOM 0 H GLU A 11 165.691 -8.733 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 11 168.256 -8.049 -2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 11 167.154 -7.948 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.784 -9.405 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 11 164.657 -8.919 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 11 164.688 -7.908 -3.491 1.00 0.00 H new ATOM 180 N ILE A 12 168.266 -5.652 -3.831 1.00 0.00 N ATOM 181 CA ILE A 12 168.390 -4.211 -4.015 1.00 0.00 C ATOM 182 C ILE A 12 167.309 -3.678 -4.950 1.00 0.00 C ATOM 183 O ILE A 12 167.216 -4.086 -6.107 1.00 0.00 O ATOM 184 CB ILE A 12 169.773 -3.831 -4.581 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.883 -4.466 -3.740 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.935 -2.319 -4.622 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.874 -4.022 -2.294 1.00 0.00 C ATOM 0 H ILE A 12 169.024 -6.197 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 12 168.271 -3.758 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 12 169.848 -4.212 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.782 -5.551 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.849 -4.219 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.917 -2.069 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.162 -1.887 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.843 -1.916 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 12 171.687 -4.511 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 12 171.006 -2.941 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.923 -4.293 -1.836 1.00 0.00 H new ATOM 199 N THR A 13 166.496 -2.759 -4.440 1.00 0.00 N ATOM 200 CA THR A 13 165.423 -2.162 -5.228 1.00 0.00 C ATOM 201 C THR A 13 165.955 -1.006 -6.071 1.00 0.00 C ATOM 202 O THR A 13 166.979 -0.409 -5.740 1.00 0.00 O ATOM 203 CB THR A 13 164.306 -1.666 -4.307 1.00 0.00 C ATOM 204 OG1 THR A 13 164.698 -0.480 -3.637 1.00 0.00 O ATOM 205 CG2 THR A 13 163.904 -2.675 -3.253 1.00 0.00 C ATOM 0 H THR A 13 166.560 -2.411 -3.483 1.00 0.00 H new ATOM 0 HA THR A 13 165.022 -2.924 -5.896 1.00 0.00 H new ATOM 0 HB THR A 13 163.452 -1.488 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.970 -0.178 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 13 163.108 -2.259 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 13 163.549 -3.585 -3.737 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.765 -2.909 -2.627 1.00 0.00 H new ATOM 213 N PRO A 14 165.266 -0.670 -7.176 1.00 0.00 N ATOM 214 CA PRO A 14 165.677 0.422 -8.063 1.00 0.00 C ATOM 215 C PRO A 14 165.972 1.706 -7.295 1.00 0.00 C ATOM 216 O PRO A 14 166.890 2.453 -7.640 1.00 0.00 O ATOM 217 CB PRO A 14 164.471 0.617 -8.997 1.00 0.00 C ATOM 218 CG PRO A 14 163.370 -0.213 -8.419 1.00 0.00 C ATOM 219 CD PRO A 14 164.037 -1.316 -7.652 1.00 0.00 C ATOM 0 HA PRO A 14 166.599 0.185 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 14 164.183 1.667 -9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.708 0.300 -10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.733 0.385 -7.767 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.732 -0.616 -9.206 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.418 -1.669 -6.827 1.00 0.00 H new ATOM 0 HD3 PRO A 14 164.250 -2.179 -8.283 1.00 0.00 H new ATOM 227 N ALA A 15 165.195 1.955 -6.248 1.00 0.00 N ATOM 228 CA ALA A 15 165.379 3.144 -5.430 1.00 0.00 C ATOM 229 C ALA A 15 166.660 3.047 -4.609 1.00 0.00 C ATOM 230 O ALA A 15 167.357 4.041 -4.405 1.00 0.00 O ATOM 231 CB ALA A 15 164.176 3.352 -4.521 1.00 0.00 C ATOM 0 H ALA A 15 164.432 1.349 -5.947 1.00 0.00 H new ATOM 0 HA ALA A 15 165.468 4.005 -6.093 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.328 4.245 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.278 3.473 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 15 164.059 2.487 -3.869 1.00 0.00 H new ATOM 237 N ILE A 16 166.966 1.840 -4.142 1.00 0.00 N ATOM 238 CA ILE A 16 168.165 1.610 -3.343 1.00 0.00 C ATOM 239 C ILE A 16 169.407 1.513 -4.223 1.00 0.00 C ATOM 240 O ILE A 16 170.447 2.090 -3.908 1.00 0.00 O ATOM 241 CB ILE A 16 168.045 0.324 -2.501 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.764 0.355 -1.666 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.263 0.159 -1.603 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.331 -1.008 -1.171 1.00 0.00 C ATOM 0 H ILE A 16 166.400 1.007 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 16 168.264 2.465 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 16 167.999 -0.530 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.914 1.013 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.961 0.787 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 16 169.161 -0.754 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.162 0.098 -2.217 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.339 1.015 -0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.416 -0.909 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.148 -1.663 -2.023 1.00 0.00 H new ATOM 0 HD13 ILE A 16 167.116 -1.435 -0.547 1.00 0.00 H new ATOM 256 N ARG A 17 169.296 0.778 -5.327 1.00 0.00 N ATOM 257 CA ARG A 17 170.418 0.609 -6.242 1.00 0.00 C ATOM 258 C ARG A 17 170.931 1.961 -6.729 1.00 0.00 C ATOM 259 O ARG A 17 172.136 2.162 -6.874 1.00 0.00 O ATOM 260 CB ARG A 17 170.021 -0.276 -7.432 1.00 0.00 C ATOM 261 CG ARG A 17 169.204 0.437 -8.499 1.00 0.00 C ATOM 262 CD ARG A 17 170.094 1.054 -9.567 1.00 0.00 C ATOM 263 NE ARG A 17 169.337 1.450 -10.754 1.00 0.00 N ATOM 264 CZ ARG A 17 169.065 0.634 -11.770 1.00 0.00 C ATOM 265 NH1 ARG A 17 169.478 -0.627 -11.749 1.00 0.00 N ATOM 266 NH2 ARG A 17 168.376 1.080 -12.811 1.00 0.00 N ATOM 0 H ARG A 17 168.444 0.293 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 17 171.223 0.114 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.926 -0.675 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.449 -1.127 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.515 -0.269 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 17 168.599 1.216 -8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 17 170.603 1.925 -9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 17 170.866 0.339 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 17 168.997 2.410 -10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 17 170.008 -0.977 -10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 17 169.266 -1.246 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 17 168.055 2.048 -12.833 1.00 0.00 H new ATOM 0 HH22 ARG A 17 168.167 0.455 -13.590 1.00 0.00 H new ATOM 280 N GLN A 18 170.009 2.889 -6.975 1.00 0.00 N ATOM 281 CA GLN A 18 170.375 4.220 -7.442 1.00 0.00 C ATOM 282 C GLN A 18 170.909 5.069 -6.291 1.00 0.00 C ATOM 283 O GLN A 18 171.854 5.840 -6.460 1.00 0.00 O ATOM 284 CB GLN A 18 169.170 4.907 -8.084 1.00 0.00 C ATOM 285 CG GLN A 18 169.531 6.149 -8.885 1.00 0.00 C ATOM 286 CD GLN A 18 170.641 5.897 -9.888 1.00 0.00 C ATOM 287 OE1 GLN A 18 171.533 6.726 -10.065 1.00 0.00 O ATOM 288 NE2 GLN A 18 170.591 4.747 -10.551 1.00 0.00 N ATOM 0 H GLN A 18 169.006 2.743 -6.859 1.00 0.00 H new ATOM 0 HA GLN A 18 171.162 4.115 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 18 168.664 4.197 -8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.461 5.182 -7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.646 6.507 -9.411 1.00 0.00 H new ATOM 0 HG3 GLN A 18 169.837 6.941 -8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 18 169.833 4.088 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 18 171.311 4.523 -11.238 1.00 0.00 H new ATOM 297 N HIS A 19 170.298 4.916 -5.120 1.00 0.00 N ATOM 298 CA HIS A 19 170.710 5.665 -3.937 1.00 0.00 C ATOM 299 C HIS A 19 172.165 5.363 -3.585 1.00 0.00 C ATOM 300 O HIS A 19 172.985 6.272 -3.460 1.00 0.00 O ATOM 301 CB HIS A 19 169.802 5.317 -2.752 1.00 0.00 C ATOM 302 CG HIS A 19 169.070 6.494 -2.186 1.00 0.00 C ATOM 303 ND1 HIS A 19 169.062 7.013 -0.934 1.00 0.00 N flip ATOM 304 CD2 HIS A 19 168.217 7.282 -2.930 1.00 0.00 C flip ATOM 305 CE1 HIS A 19 168.212 8.092 -0.948 1.00 0.00 C flip ATOM 306 NE2 HIS A 19 167.716 8.233 -2.161 1.00 0.00 N flip ATOM 0 H HIS A 19 169.516 4.280 -4.965 1.00 0.00 H new ATOM 0 HA HIS A 19 170.621 6.729 -4.156 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.076 4.568 -3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.405 4.863 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 19 167.993 7.144 -3.977 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.986 8.723 -0.101 1.00 0.00 H new ATOM 0 HE2 HIS A 19 167.057 8.954 -2.456 1.00 0.00 H new ATOM 315 N VAL A 20 172.472 4.081 -3.423 1.00 0.00 N ATOM 316 CA VAL A 20 173.824 3.653 -3.083 1.00 0.00 C ATOM 317 C VAL A 20 174.785 3.866 -4.249 1.00 0.00 C ATOM 318 O VAL A 20 175.910 4.328 -4.060 1.00 0.00 O ATOM 319 CB VAL A 20 173.854 2.169 -2.668 1.00 0.00 C ATOM 320 CG1 VAL A 20 175.258 1.750 -2.261 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.868 1.912 -1.539 1.00 0.00 C ATOM 0 H VAL A 20 171.802 3.319 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 20 174.145 4.266 -2.241 1.00 0.00 H new ATOM 0 HB VAL A 20 173.558 1.568 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 20 175.255 0.699 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 20 175.938 1.893 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 20 175.589 2.357 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.902 0.859 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 20 173.133 2.526 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 20 171.861 2.167 -1.870 1.00 0.00 H new ATOM 331 N ALA A 21 174.341 3.521 -5.454 1.00 0.00 N ATOM 332 CA ALA A 21 175.170 3.673 -6.646 1.00 0.00 C ATOM 333 C ALA A 21 175.705 5.096 -6.774 1.00 0.00 C ATOM 334 O ALA A 21 176.898 5.303 -6.998 1.00 0.00 O ATOM 335 CB ALA A 21 174.382 3.294 -7.890 1.00 0.00 C ATOM 0 H ALA A 21 173.414 3.135 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 21 176.023 3.001 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 21 175.013 3.412 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 21 174.057 2.256 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.510 3.941 -7.979 1.00 0.00 H new ATOM 341 N ASP A 22 174.817 6.073 -6.632 1.00 0.00 N ATOM 342 CA ASP A 22 175.199 7.476 -6.734 1.00 0.00 C ATOM 343 C ASP A 22 176.185 7.858 -5.633 1.00 0.00 C ATOM 344 O ASP A 22 177.314 8.261 -5.909 1.00 0.00 O ATOM 345 CB ASP A 22 173.958 8.369 -6.660 1.00 0.00 C ATOM 346 CG ASP A 22 173.641 9.029 -7.988 1.00 0.00 C ATOM 347 OD1 ASP A 22 174.584 9.276 -8.768 1.00 0.00 O ATOM 348 OD2 ASP A 22 172.449 9.297 -8.248 1.00 0.00 O ATOM 0 H ASP A 22 173.826 5.919 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 22 175.688 7.624 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.103 7.773 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 22 174.111 9.138 -5.903 1.00 0.00 H new ATOM 353 N ARG A 23 175.746 7.734 -4.384 1.00 0.00 N ATOM 354 CA ARG A 23 176.586 8.071 -3.239 1.00 0.00 C ATOM 355 C ARG A 23 177.894 7.286 -3.265 1.00 0.00 C ATOM 356 O ARG A 23 178.973 7.852 -3.097 1.00 0.00 O ATOM 357 CB ARG A 23 175.838 7.795 -1.935 1.00 0.00 C ATOM 358 CG ARG A 23 174.847 8.886 -1.561 1.00 0.00 C ATOM 359 CD ARG A 23 175.492 9.946 -0.680 1.00 0.00 C ATOM 360 NE ARG A 23 174.531 10.551 0.239 1.00 0.00 N ATOM 361 CZ ARG A 23 174.857 11.446 1.168 1.00 0.00 C ATOM 362 NH1 ARG A 23 176.116 11.842 1.306 1.00 0.00 N ATOM 363 NH2 ARG A 23 173.922 11.947 1.963 1.00 0.00 N ATOM 0 H ARG A 23 174.813 7.403 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 23 176.824 9.133 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 23 175.307 6.848 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.561 7.680 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 23 174.458 9.351 -2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 23 173.998 8.445 -1.039 1.00 0.00 H new ATOM 0 HD2 ARG A 23 176.306 9.498 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 23 175.931 10.721 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 23 173.553 10.271 0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 23 176.840 11.460 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 23 176.359 12.528 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 23 172.952 11.646 1.863 1.00 0.00 H new ATOM 0 HH22 ARG A 23 174.172 12.633 2.675 1.00 0.00 H new ATOM 377 N LEU A 24 177.790 5.976 -3.478 1.00 0.00 N ATOM 378 CA LEU A 24 178.966 5.113 -3.527 1.00 0.00 C ATOM 379 C LEU A 24 179.976 5.627 -4.550 1.00 0.00 C ATOM 380 O LEU A 24 181.185 5.571 -4.327 1.00 0.00 O ATOM 381 CB LEU A 24 178.561 3.679 -3.869 1.00 0.00 C ATOM 382 CG LEU A 24 179.678 2.642 -3.745 1.00 0.00 C ATOM 383 CD1 LEU A 24 179.114 1.297 -3.317 1.00 0.00 C ATOM 384 CD2 LEU A 24 180.432 2.511 -5.060 1.00 0.00 C ATOM 0 H LEU A 24 176.904 5.490 -3.619 1.00 0.00 H new ATOM 0 HA LEU A 24 179.434 5.124 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 24 177.739 3.385 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 24 178.180 3.659 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 24 180.377 2.980 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 24 179.924 0.572 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 24 178.620 1.400 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 24 178.393 0.952 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 24 181.223 1.769 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 24 179.743 2.197 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 24 180.870 3.473 -5.325 1.00 0.00 H new ATOM 396 N ALA A 25 179.468 6.135 -5.670 1.00 0.00 N ATOM 397 CA ALA A 25 180.323 6.664 -6.723 1.00 0.00 C ATOM 398 C ALA A 25 181.107 7.874 -6.228 1.00 0.00 C ATOM 399 O ALA A 25 182.288 8.032 -6.536 1.00 0.00 O ATOM 400 CB ALA A 25 179.491 7.034 -7.942 1.00 0.00 C ATOM 0 H ALA A 25 178.469 6.190 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 25 181.036 5.890 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 25 180.143 7.428 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.976 6.148 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.757 7.791 -7.666 1.00 0.00 H new ATOM 406 N LYS A 26 180.441 8.725 -5.454 1.00 0.00 N ATOM 407 CA LYS A 26 181.071 9.921 -4.910 1.00 0.00 C ATOM 408 C LYS A 26 182.270 9.551 -4.041 1.00 0.00 C ATOM 409 O LYS A 26 183.316 10.199 -4.098 1.00 0.00 O ATOM 410 CB LYS A 26 180.055 10.730 -4.095 1.00 0.00 C ATOM 411 CG LYS A 26 180.668 11.874 -3.301 1.00 0.00 C ATOM 412 CD LYS A 26 181.397 12.855 -4.204 1.00 0.00 C ATOM 413 CE LYS A 26 180.535 14.069 -4.518 1.00 0.00 C ATOM 414 NZ LYS A 26 179.315 13.700 -5.287 1.00 0.00 N ATOM 0 H LYS A 26 179.463 8.607 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 26 181.424 10.532 -5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.301 11.134 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 26 179.540 10.059 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 26 179.885 12.397 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 26 181.362 11.474 -2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 26 182.320 13.178 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 26 181.678 12.357 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 26 180.244 14.558 -3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 26 181.119 14.791 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 178.872 14.560 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 179.576 13.068 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 178.643 13.214 -4.659 1.00 0.00 H new ATOM 428 N LEU A 27 182.112 8.503 -3.239 1.00 0.00 N ATOM 429 CA LEU A 27 183.182 8.043 -2.359 1.00 0.00 C ATOM 430 C LEU A 27 184.397 7.590 -3.167 1.00 0.00 C ATOM 431 O LEU A 27 185.516 7.557 -2.654 1.00 0.00 O ATOM 432 CB LEU A 27 182.682 6.900 -1.473 1.00 0.00 C ATOM 433 CG LEU A 27 182.356 7.293 -0.031 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.296 6.368 0.548 1.00 0.00 C ATOM 435 CD2 LEU A 27 183.612 7.267 0.826 1.00 0.00 C ATOM 0 H LEU A 27 181.253 7.956 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 27 183.485 8.877 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.788 6.472 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.438 6.115 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 27 181.962 8.309 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 27 181.077 6.663 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.388 6.436 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.663 5.342 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 27 183.361 7.549 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.036 6.263 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 27 184.341 7.970 0.424 1.00 0.00 H new ATOM 447 N GLU A 28 184.171 7.237 -4.428 1.00 0.00 N ATOM 448 CA GLU A 28 185.247 6.782 -5.300 1.00 0.00 C ATOM 449 C GLU A 28 186.286 7.880 -5.522 1.00 0.00 C ATOM 450 O GLU A 28 187.425 7.599 -5.889 1.00 0.00 O ATOM 451 CB GLU A 28 184.682 6.321 -6.646 1.00 0.00 C ATOM 452 CG GLU A 28 183.619 5.242 -6.521 1.00 0.00 C ATOM 453 CD GLU A 28 184.201 3.891 -6.158 1.00 0.00 C ATOM 454 OE1 GLU A 28 184.928 3.314 -6.994 1.00 0.00 O ATOM 455 OE2 GLU A 28 183.930 3.410 -5.037 1.00 0.00 O ATOM 0 H GLU A 28 183.251 7.257 -4.869 1.00 0.00 H new ATOM 0 HA GLU A 28 185.739 5.942 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 28 184.257 7.180 -7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 28 185.498 5.946 -7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 28 182.894 5.537 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 28 183.078 5.159 -7.464 1.00 0.00 H new ATOM 462 N LYS A 29 185.886 9.129 -5.303 1.00 0.00 N ATOM 463 CA LYS A 29 186.790 10.258 -5.488 1.00 0.00 C ATOM 464 C LYS A 29 187.693 10.444 -4.277 1.00 0.00 C ATOM 465 O LYS A 29 188.823 10.918 -4.404 1.00 0.00 O ATOM 466 CB LYS A 29 185.997 11.540 -5.757 1.00 0.00 C ATOM 467 CG LYS A 29 186.665 12.468 -6.758 1.00 0.00 C ATOM 468 CD LYS A 29 185.962 13.815 -6.823 1.00 0.00 C ATOM 469 CE LYS A 29 186.652 14.846 -5.944 1.00 0.00 C ATOM 470 NZ LYS A 29 185.834 16.079 -5.788 1.00 0.00 N ATOM 0 H LYS A 29 184.946 9.384 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 29 187.420 10.044 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.006 11.274 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 29 185.855 12.074 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 187.709 12.614 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 29 186.659 12.005 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.944 14.168 -7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 29 184.925 13.701 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 29 186.848 14.414 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.618 15.104 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 186.339 16.757 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 185.668 16.506 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 184.922 15.837 -5.351 1.00 0.00 H new ATOM 484 N TRP A 30 187.200 10.061 -3.102 1.00 0.00 N ATOM 485 CA TRP A 30 187.983 10.181 -1.878 1.00 0.00 C ATOM 486 C TRP A 30 189.377 9.593 -2.088 1.00 0.00 C ATOM 487 O TRP A 30 189.586 8.795 -3.001 1.00 0.00 O ATOM 488 CB TRP A 30 187.282 9.454 -0.727 1.00 0.00 C ATOM 489 CG TRP A 30 186.270 10.292 -0.009 1.00 0.00 C ATOM 490 CD1 TRP A 30 185.045 10.680 -0.472 1.00 0.00 C ATOM 491 CD2 TRP A 30 186.390 10.840 1.310 1.00 0.00 C ATOM 492 NE1 TRP A 30 184.396 11.433 0.478 1.00 0.00 N ATOM 493 CE2 TRP A 30 185.202 11.546 1.581 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.388 10.801 2.289 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.987 12.204 2.790 1.00 0.00 C ATOM 496 CZ3 TRP A 30 187.174 11.455 3.487 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.981 12.148 3.728 1.00 0.00 C ATOM 0 H TRP A 30 186.268 9.667 -2.973 1.00 0.00 H new ATOM 0 HA TRP A 30 188.075 11.237 -1.625 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.790 8.563 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 30 188.033 9.116 -0.013 1.00 0.00 H new ATOM 0 HD1 TRP A 30 184.644 10.431 -1.444 1.00 0.00 H new ATOM 0 HE1 TRP A 30 183.466 11.841 0.378 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.311 10.268 2.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 184.068 12.739 2.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.939 11.431 4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.843 12.649 4.675 1.00 0.00 H new ATOM 508 N GLN A 31 190.328 9.988 -1.249 1.00 0.00 N ATOM 509 CA GLN A 31 191.694 9.486 -1.365 1.00 0.00 C ATOM 510 C GLN A 31 191.761 8.012 -0.981 1.00 0.00 C ATOM 511 O GLN A 31 192.383 7.644 0.016 1.00 0.00 O ATOM 512 CB GLN A 31 192.637 10.296 -0.483 1.00 0.00 C ATOM 513 CG GLN A 31 192.821 11.734 -0.944 1.00 0.00 C ATOM 514 CD GLN A 31 193.955 11.885 -1.939 1.00 0.00 C ATOM 515 OE1 GLN A 31 193.760 12.385 -3.047 1.00 0.00 O ATOM 516 NE2 GLN A 31 195.149 11.455 -1.549 1.00 0.00 N ATOM 0 H GLN A 31 190.181 10.649 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 31 192.006 9.590 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 31 192.255 10.297 0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 31 193.609 9.804 -0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 31 191.895 12.088 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.015 12.367 -0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 31 195.266 11.047 -0.622 1.00 0.00 H new ATOM 0 HE22 GLN A 31 195.949 11.533 -2.177 1.00 0.00 H new ATOM 525 N THR A 32 191.110 7.176 -1.776 1.00 0.00 N ATOM 526 CA THR A 32 191.081 5.737 -1.523 1.00 0.00 C ATOM 527 C THR A 32 191.035 4.955 -2.831 1.00 0.00 C ATOM 528 O THR A 32 191.924 4.158 -3.119 1.00 0.00 O ATOM 529 CB THR A 32 189.871 5.361 -0.650 1.00 0.00 C ATOM 530 OG1 THR A 32 189.244 4.184 -1.132 1.00 0.00 O ATOM 531 CG2 THR A 32 188.800 6.434 -0.578 1.00 0.00 C ATOM 0 H THR A 32 190.592 7.467 -2.605 1.00 0.00 H new ATOM 0 HA THR A 32 191.996 5.476 -0.991 1.00 0.00 H new ATOM 0 HB THR A 32 190.290 5.220 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 32 189.865 3.429 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.983 6.090 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 32 189.226 7.346 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 32 188.421 6.638 -1.580 1.00 0.00 H new ATOM 539 N HIS A 33 189.972 5.195 -3.597 1.00 0.00 N ATOM 540 CA HIS A 33 189.735 4.535 -4.890 1.00 0.00 C ATOM 541 C HIS A 33 188.778 3.359 -4.724 1.00 0.00 C ATOM 542 O HIS A 33 188.026 3.028 -5.639 1.00 0.00 O ATOM 543 CB HIS A 33 191.037 4.058 -5.554 1.00 0.00 C ATOM 544 CG HIS A 33 191.970 5.172 -5.920 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.812 5.916 -5.163 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 192.116 5.633 -7.213 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 193.442 6.801 -6.003 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 193.006 6.608 -7.233 1.00 0.00 N flip ATOM 0 H HIS A 33 189.241 5.858 -3.339 1.00 0.00 H new ATOM 0 HA HIS A 33 189.286 5.281 -5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.550 3.374 -4.878 1.00 0.00 H new ATOM 0 HB3 HIS A 33 190.790 3.493 -6.453 1.00 0.00 H new ATOM 0 HD2 HIS A 33 191.585 5.255 -8.074 1.00 0.00 H new ATOM 0 HE1 HIS A 33 194.175 7.536 -5.705 1.00 0.00 H new ATOM 0 HE2 HIS A 33 193.306 7.125 -8.060 1.00 0.00 H new ATOM 557 N LEU A 34 188.808 2.739 -3.547 1.00 0.00 N ATOM 558 CA LEU A 34 187.940 1.602 -3.253 1.00 0.00 C ATOM 559 C LEU A 34 188.188 0.459 -4.233 1.00 0.00 C ATOM 560 O LEU A 34 188.382 0.679 -5.428 1.00 0.00 O ATOM 561 CB LEU A 34 186.466 2.019 -3.306 1.00 0.00 C ATOM 562 CG LEU A 34 186.084 3.215 -2.424 1.00 0.00 C ATOM 563 CD1 LEU A 34 186.543 3.005 -0.987 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.666 4.498 -2.991 1.00 0.00 C ATOM 0 H LEU A 34 189.425 3.006 -2.780 1.00 0.00 H new ATOM 0 HA LEU A 34 188.175 1.256 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.211 2.256 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 34 185.855 1.165 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 34 184.997 3.299 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 34 186.259 3.868 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 34 186.073 2.109 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 34 187.626 2.888 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 34 186.386 5.337 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 34 187.752 4.419 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 34 186.278 4.660 -3.996 1.00 0.00 H new ATOM 576 N ILE A 35 188.184 -0.765 -3.719 1.00 0.00 N ATOM 577 CA ILE A 35 188.412 -1.942 -4.552 1.00 0.00 C ATOM 578 C ILE A 35 187.328 -2.988 -4.329 1.00 0.00 C ATOM 579 O ILE A 35 186.721 -3.483 -5.278 1.00 0.00 O ATOM 580 CB ILE A 35 189.786 -2.594 -4.280 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.808 -1.554 -3.807 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.288 -3.304 -5.529 1.00 0.00 C ATOM 583 CD1 ILE A 35 191.180 -1.694 -2.347 1.00 0.00 C ATOM 0 H ILE A 35 188.026 -0.969 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 35 188.387 -1.592 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 35 189.662 -3.328 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.710 -1.640 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.404 -0.556 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.257 -3.759 -5.324 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.577 -4.078 -5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.390 -2.584 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 35 191.907 -0.926 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 35 190.288 -1.578 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 35 191.614 -2.679 -2.175 1.00 0.00 H new ATOM 595 N ASN A 36 187.101 -3.331 -3.066 1.00 0.00 N ATOM 596 CA ASN A 36 186.104 -4.332 -2.713 1.00 0.00 C ATOM 597 C ASN A 36 184.918 -3.708 -1.973 1.00 0.00 C ATOM 598 O ASN A 36 184.683 -4.004 -0.801 1.00 0.00 O ATOM 599 CB ASN A 36 186.747 -5.414 -1.846 1.00 0.00 C ATOM 600 CG ASN A 36 185.841 -6.613 -1.646 1.00 0.00 C ATOM 601 OD1 ASN A 36 184.619 -6.480 -1.587 1.00 0.00 O ATOM 602 ND2 ASN A 36 186.438 -7.795 -1.539 1.00 0.00 N ATOM 0 H ASN A 36 187.595 -2.929 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 36 185.727 -4.774 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.678 -5.740 -2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 36 187.004 -4.991 -0.875 1.00 0.00 H new ATOM 0 HD21 ASN A 36 185.880 -8.638 -1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 36 187.454 -7.860 -1.594 1.00 0.00 H new ATOM 609 N PRO A 37 184.147 -2.839 -2.651 1.00 0.00 N ATOM 610 CA PRO A 37 182.981 -2.185 -2.048 1.00 0.00 C ATOM 611 C PRO A 37 181.829 -3.158 -1.823 1.00 0.00 C ATOM 612 O PRO A 37 181.163 -3.574 -2.770 1.00 0.00 O ATOM 613 CB PRO A 37 182.594 -1.127 -3.084 1.00 0.00 C ATOM 614 CG PRO A 37 183.087 -1.672 -4.378 1.00 0.00 C ATOM 615 CD PRO A 37 184.346 -2.428 -4.055 1.00 0.00 C ATOM 0 HA PRO A 37 183.204 -1.774 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.516 -0.969 -3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.053 -0.164 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.345 -2.327 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.285 -0.870 -5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.478 -3.289 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.231 -1.802 -4.169 1.00 0.00 H new ATOM 623 N HIS A 38 181.600 -3.518 -0.564 1.00 0.00 N ATOM 624 CA HIS A 38 180.526 -4.444 -0.221 1.00 0.00 C ATOM 625 C HIS A 38 179.348 -3.707 0.413 1.00 0.00 C ATOM 626 O HIS A 38 179.529 -2.713 1.114 1.00 0.00 O ATOM 627 CB HIS A 38 181.043 -5.524 0.734 1.00 0.00 C ATOM 628 CG HIS A 38 180.990 -6.906 0.158 1.00 0.00 C ATOM 629 ND1 HIS A 38 179.940 -7.652 -0.260 1.00 0.00 N flip ATOM 630 CD2 HIS A 38 182.113 -7.682 -0.044 1.00 0.00 C flip ATOM 631 CE1 HIS A 38 180.442 -8.851 -0.700 1.00 0.00 C flip ATOM 632 NE2 HIS A 38 181.754 -8.845 -0.560 1.00 0.00 N flip ATOM 0 H HIS A 38 182.142 -3.184 0.233 1.00 0.00 H new ATOM 0 HA HIS A 38 180.180 -4.916 -1.141 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.072 -5.293 1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.455 -5.498 1.651 1.00 0.00 H new ATOM 0 HD2 HIS A 38 183.126 -7.386 0.184 1.00 0.00 H new ATOM 0 HE1 HIS A 38 179.857 -9.668 -1.097 1.00 0.00 H new ATOM 0 HE2 HIS A 38 182.384 -9.608 -0.808 1.00 0.00 H new ATOM 641 N ILE A 39 178.142 -4.205 0.157 1.00 0.00 N ATOM 642 CA ILE A 39 176.933 -3.598 0.700 1.00 0.00 C ATOM 643 C ILE A 39 175.933 -4.665 1.136 1.00 0.00 C ATOM 644 O ILE A 39 175.345 -5.355 0.304 1.00 0.00 O ATOM 645 CB ILE A 39 176.260 -2.670 -0.332 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.259 -1.631 -0.846 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.043 -1.986 0.277 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.695 -0.636 0.208 1.00 0.00 C ATOM 0 H ILE A 39 177.977 -5.027 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 39 177.234 -3.009 1.566 1.00 0.00 H new ATOM 0 HB ILE A 39 175.926 -3.275 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.138 -2.145 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 39 176.812 -1.091 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.582 -1.335 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.323 -2.740 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.352 -1.392 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.403 0.069 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 39 176.825 -0.095 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.172 -1.165 1.033 1.00 0.00 H new ATOM 660 N ILE A 40 175.744 -4.796 2.447 1.00 0.00 N ATOM 661 CA ILE A 40 174.815 -5.779 2.987 1.00 0.00 C ATOM 662 C ILE A 40 173.534 -5.109 3.483 1.00 0.00 C ATOM 663 O ILE A 40 173.372 -4.869 4.679 1.00 0.00 O ATOM 664 CB ILE A 40 175.454 -6.584 4.141 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.671 -7.361 3.634 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.438 -7.534 4.763 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.958 -6.568 3.675 1.00 0.00 C ATOM 0 H ILE A 40 176.222 -4.234 3.152 1.00 0.00 H new ATOM 0 HA ILE A 40 174.568 -6.465 2.176 1.00 0.00 H new ATOM 0 HB ILE A 40 175.781 -5.884 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.791 -8.263 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.485 -7.682 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.909 -8.091 5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.598 -6.962 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 40 174.079 -8.230 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.776 -7.183 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.858 -5.679 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 40 178.169 -6.269 4.702 1.00 0.00 H new ATOM 679 N LEU A 41 172.630 -4.812 2.555 1.00 0.00 N ATOM 680 CA LEU A 41 171.365 -4.171 2.898 1.00 0.00 C ATOM 681 C LEU A 41 170.268 -5.209 3.114 1.00 0.00 C ATOM 682 O LEU A 41 169.704 -5.738 2.157 1.00 0.00 O ATOM 683 CB LEU A 41 170.950 -3.195 1.794 1.00 0.00 C ATOM 684 CG LEU A 41 169.574 -2.549 1.984 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.706 -1.043 2.161 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.665 -2.870 0.805 1.00 0.00 C ATOM 0 H LEU A 41 172.749 -5.005 1.561 1.00 0.00 H new ATOM 0 HA LEU A 41 171.506 -3.620 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.699 -2.406 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.958 -3.724 0.841 1.00 0.00 H new ATOM 0 HG LEU A 41 169.125 -2.962 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.717 -0.604 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.318 -0.832 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 41 170.178 -0.613 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.692 -2.403 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 41 169.111 -2.488 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.540 -3.950 0.725 1.00 0.00 H new ATOM 698 N SER A 42 169.976 -5.501 4.378 1.00 0.00 N ATOM 699 CA SER A 42 168.951 -6.480 4.717 1.00 0.00 C ATOM 700 C SER A 42 167.754 -5.810 5.385 1.00 0.00 C ATOM 701 O SER A 42 167.909 -4.827 6.112 1.00 0.00 O ATOM 702 CB SER A 42 169.528 -7.554 5.643 1.00 0.00 C ATOM 703 OG SER A 42 170.768 -8.035 5.154 1.00 0.00 O ATOM 0 H SER A 42 170.435 -5.074 5.183 1.00 0.00 H new ATOM 0 HA SER A 42 168.613 -6.947 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.663 -7.142 6.643 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.823 -8.380 5.731 1.00 0.00 H new ATOM 0 HG SER A 42 171.336 -8.300 5.907 1.00 0.00 H new ATOM 709 N LYS A 43 166.563 -6.345 5.136 1.00 0.00 N ATOM 710 CA LYS A 43 165.343 -5.797 5.716 1.00 0.00 C ATOM 711 C LYS A 43 164.921 -6.589 6.949 1.00 0.00 C ATOM 712 O LYS A 43 164.274 -7.630 6.836 1.00 0.00 O ATOM 713 CB LYS A 43 164.213 -5.807 4.687 1.00 0.00 C ATOM 714 CG LYS A 43 163.116 -4.796 4.980 1.00 0.00 C ATOM 715 CD LYS A 43 161.830 -5.137 4.245 1.00 0.00 C ATOM 716 CE LYS A 43 160.608 -4.847 5.101 1.00 0.00 C ATOM 717 NZ LYS A 43 160.236 -3.405 5.073 1.00 0.00 N ATOM 0 H LYS A 43 166.417 -7.157 4.537 1.00 0.00 H new ATOM 0 HA LYS A 43 165.547 -4.769 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.629 -5.604 3.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.776 -6.805 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 43 162.926 -4.766 6.053 1.00 0.00 H new ATOM 0 HG3 LYS A 43 163.450 -3.801 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 43 161.774 -4.561 3.321 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.838 -6.190 3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 43 159.768 -5.445 4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.805 -5.151 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 159.398 -3.251 5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 161.028 -2.835 5.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 160.022 -3.121 4.096 1.00 0.00 H new ATOM 731 N GLU A 44 165.283 -6.087 8.124 1.00 0.00 N ATOM 732 CA GLU A 44 164.934 -6.752 9.374 1.00 0.00 C ATOM 733 C GLU A 44 163.588 -6.249 9.895 1.00 0.00 C ATOM 734 O GLU A 44 163.248 -5.077 9.730 1.00 0.00 O ATOM 735 CB GLU A 44 166.026 -6.524 10.421 1.00 0.00 C ATOM 736 CG GLU A 44 166.288 -7.743 11.293 1.00 0.00 C ATOM 737 CD GLU A 44 167.766 -7.996 11.518 1.00 0.00 C ATOM 738 OE1 GLU A 44 168.442 -8.451 10.570 1.00 0.00 O ATOM 739 OE2 GLU A 44 168.247 -7.743 12.641 1.00 0.00 O ATOM 0 H GLU A 44 165.816 -5.225 8.237 1.00 0.00 H new ATOM 0 HA GLU A 44 164.851 -7.822 9.182 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.950 -6.242 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.741 -5.686 11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 44 165.796 -7.608 12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 44 165.840 -8.621 10.827 1.00 0.00 H new ATOM 746 N PRO A 45 162.797 -7.136 10.526 1.00 0.00 N ATOM 747 CA PRO A 45 161.479 -6.786 11.065 1.00 0.00 C ATOM 748 C PRO A 45 161.457 -5.455 11.804 1.00 0.00 C ATOM 749 O PRO A 45 160.498 -4.690 11.696 1.00 0.00 O ATOM 750 CB PRO A 45 161.202 -7.923 12.043 1.00 0.00 C ATOM 751 CG PRO A 45 161.905 -9.100 11.463 1.00 0.00 C ATOM 752 CD PRO A 45 163.123 -8.559 10.759 1.00 0.00 C ATOM 0 HA PRO A 45 160.743 -6.671 10.270 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.577 -7.689 13.039 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.133 -8.109 12.141 1.00 0.00 H new ATOM 0 HG2 PRO A 45 162.188 -9.807 12.243 1.00 0.00 H new ATOM 0 HG3 PRO A 45 161.259 -9.635 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.019 -8.669 11.370 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.309 -9.085 9.822 1.00 0.00 H new ATOM 760 N GLN A 46 162.501 -5.195 12.581 1.00 0.00 N ATOM 761 CA GLN A 46 162.576 -3.968 13.363 1.00 0.00 C ATOM 762 C GLN A 46 163.469 -2.916 12.707 1.00 0.00 C ATOM 763 O GLN A 46 164.173 -2.178 13.395 1.00 0.00 O ATOM 764 CB GLN A 46 163.084 -4.285 14.770 1.00 0.00 C ATOM 765 CG GLN A 46 162.459 -3.421 15.853 1.00 0.00 C ATOM 766 CD GLN A 46 161.359 -4.139 16.612 1.00 0.00 C ATOM 767 OE1 GLN A 46 161.466 -4.366 17.817 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.292 -4.499 15.907 1.00 0.00 N ATOM 0 H GLN A 46 163.304 -5.815 12.686 1.00 0.00 H new ATOM 0 HA GLN A 46 161.571 -3.549 13.416 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.883 -5.333 14.992 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.166 -4.156 14.794 1.00 0.00 H new ATOM 0 HG2 GLN A 46 163.233 -3.107 16.553 1.00 0.00 H new ATOM 0 HG3 GLN A 46 162.052 -2.516 15.401 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.246 -4.290 14.910 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.519 -4.984 16.363 1.00 0.00 H new ATOM 777 N GLY A 47 163.421 -2.832 11.380 1.00 0.00 N ATOM 778 CA GLY A 47 164.220 -1.841 10.680 1.00 0.00 C ATOM 779 C GLY A 47 165.134 -2.426 9.621 1.00 0.00 C ATOM 780 O GLY A 47 165.362 -3.635 9.578 1.00 0.00 O ATOM 0 H GLY A 47 162.848 -3.427 10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.554 -1.117 10.211 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.823 -1.296 11.406 1.00 0.00 H new ATOM 784 N PHE A 48 165.661 -1.549 8.770 1.00 0.00 N ATOM 785 CA PHE A 48 166.568 -1.948 7.699 1.00 0.00 C ATOM 786 C PHE A 48 167.986 -2.114 8.234 1.00 0.00 C ATOM 787 O PHE A 48 168.607 -1.143 8.667 1.00 0.00 O ATOM 788 CB PHE A 48 166.567 -0.891 6.589 1.00 0.00 C ATOM 789 CG PHE A 48 166.051 -1.382 5.267 1.00 0.00 C ATOM 790 CD1 PHE A 48 166.673 -2.430 4.611 1.00 0.00 C ATOM 791 CD2 PHE A 48 164.952 -0.783 4.676 1.00 0.00 C ATOM 792 CE1 PHE A 48 166.206 -2.874 3.389 1.00 0.00 C ATOM 793 CE2 PHE A 48 164.477 -1.223 3.455 1.00 0.00 C ATOM 794 CZ PHE A 48 165.106 -2.270 2.811 1.00 0.00 C ATOM 0 H PHE A 48 165.472 -0.547 8.803 1.00 0.00 H new ATOM 0 HA PHE A 48 166.225 -2.901 7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 48 165.960 -0.044 6.910 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.584 -0.522 6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 48 167.533 -2.906 5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 48 164.460 0.038 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 48 166.700 -3.692 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 48 163.617 -0.749 3.006 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.738 -2.616 1.856 1.00 0.00 H new ATOM 804 N VAL A 49 168.497 -3.340 8.198 1.00 0.00 N ATOM 805 CA VAL A 49 169.845 -3.612 8.675 1.00 0.00 C ATOM 806 C VAL A 49 170.839 -3.598 7.518 1.00 0.00 C ATOM 807 O VAL A 49 171.043 -4.608 6.848 1.00 0.00 O ATOM 808 CB VAL A 49 169.923 -4.969 9.407 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.361 -5.302 9.783 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.036 -4.956 10.641 1.00 0.00 C ATOM 0 H VAL A 49 167.999 -4.157 7.845 1.00 0.00 H new ATOM 0 HA VAL A 49 170.104 -2.823 9.382 1.00 0.00 H new ATOM 0 HB VAL A 49 169.564 -5.744 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.389 -6.263 10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 49 171.970 -5.356 8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.754 -4.527 10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.102 -5.920 11.146 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.366 -4.168 11.318 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.003 -4.771 10.345 1.00 0.00 H new ATOM 820 N ALA A 50 171.451 -2.441 7.291 1.00 0.00 N ATOM 821 CA ALA A 50 172.422 -2.288 6.214 1.00 0.00 C ATOM 822 C ALA A 50 173.849 -2.323 6.750 1.00 0.00 C ATOM 823 O ALA A 50 174.285 -1.402 7.440 1.00 0.00 O ATOM 824 CB ALA A 50 172.171 -0.993 5.459 1.00 0.00 C ATOM 0 H ALA A 50 171.292 -1.595 7.839 1.00 0.00 H new ATOM 0 HA ALA A 50 172.301 -3.126 5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 50 172.903 -0.891 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.167 -1.008 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.262 -0.149 6.143 1.00 0.00 H new ATOM 830 N ASP A 51 174.570 -3.390 6.426 1.00 0.00 N ATOM 831 CA ASP A 51 175.948 -3.545 6.873 1.00 0.00 C ATOM 832 C ASP A 51 176.920 -3.357 5.710 1.00 0.00 C ATOM 833 O ASP A 51 177.351 -4.326 5.087 1.00 0.00 O ATOM 834 CB ASP A 51 176.147 -4.923 7.510 1.00 0.00 C ATOM 835 CG ASP A 51 176.469 -4.836 8.989 1.00 0.00 C ATOM 836 OD1 ASP A 51 175.571 -4.460 9.772 1.00 0.00 O ATOM 837 OD2 ASP A 51 177.620 -5.144 9.366 1.00 0.00 O ATOM 0 H ASP A 51 174.223 -4.161 5.855 1.00 0.00 H new ATOM 0 HA ASP A 51 176.153 -2.778 7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 51 175.244 -5.518 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.954 -5.445 6.996 1.00 0.00 H new ATOM 842 N ALA A 52 177.263 -2.104 5.427 1.00 0.00 N ATOM 843 CA ALA A 52 178.186 -1.793 4.341 1.00 0.00 C ATOM 844 C ALA A 52 179.624 -2.061 4.759 1.00 0.00 C ATOM 845 O ALA A 52 179.917 -2.201 5.947 1.00 0.00 O ATOM 846 CB ALA A 52 178.027 -0.344 3.907 1.00 0.00 C ATOM 0 H ALA A 52 176.916 -1.289 5.933 1.00 0.00 H new ATOM 0 HA ALA A 52 177.947 -2.441 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.723 -0.129 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.006 -0.177 3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.238 0.314 4.750 1.00 0.00 H new ATOM 852 N THR A 53 180.519 -2.131 3.780 1.00 0.00 N ATOM 853 CA THR A 53 181.929 -2.382 4.054 1.00 0.00 C ATOM 854 C THR A 53 182.766 -2.234 2.787 1.00 0.00 C ATOM 855 O THR A 53 182.766 -3.113 1.926 1.00 0.00 O ATOM 856 CB THR A 53 182.114 -3.780 4.641 1.00 0.00 C ATOM 857 OG1 THR A 53 183.486 -4.059 4.850 1.00 0.00 O ATOM 858 CG2 THR A 53 181.552 -4.875 3.762 1.00 0.00 C ATOM 0 H THR A 53 180.294 -2.018 2.792 1.00 0.00 H new ATOM 0 HA THR A 53 182.269 -1.643 4.779 1.00 0.00 H new ATOM 0 HB THR A 53 181.565 -3.773 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 53 183.583 -4.958 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 53 181.716 -5.843 4.236 1.00 0.00 H new ATOM 0 HG22 THR A 53 180.483 -4.716 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 53 182.052 -4.856 2.793 1.00 0.00 H new ATOM 866 N ILE A 54 183.479 -1.116 2.681 1.00 0.00 N ATOM 867 CA ILE A 54 184.320 -0.860 1.516 1.00 0.00 C ATOM 868 C ILE A 54 185.792 -1.064 1.851 1.00 0.00 C ATOM 869 O ILE A 54 186.239 -0.737 2.951 1.00 0.00 O ATOM 870 CB ILE A 54 184.121 0.570 0.975 1.00 0.00 C ATOM 871 CG1 ILE A 54 182.635 0.938 0.962 1.00 0.00 C ATOM 872 CG2 ILE A 54 184.714 0.689 -0.420 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.362 2.333 0.444 1.00 0.00 C ATOM 0 H ILE A 54 183.491 -0.377 3.384 1.00 0.00 H new ATOM 0 HA ILE A 54 184.019 -1.572 0.747 1.00 0.00 H new ATOM 0 HB ILE A 54 184.638 1.267 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 54 182.096 0.218 0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 54 182.239 0.851 1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 54 184.568 1.703 -0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 54 185.780 0.467 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 54 184.220 -0.017 -1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 54 181.289 2.525 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.872 3.061 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.728 2.419 -0.579 1.00 0.00 H new ATOM 885 N ASN A 55 186.544 -1.611 0.900 1.00 0.00 N ATOM 886 CA ASN A 55 187.968 -1.862 1.102 1.00 0.00 C ATOM 887 C ASN A 55 188.821 -0.757 0.486 1.00 0.00 C ATOM 888 O ASN A 55 189.082 -0.754 -0.716 1.00 0.00 O ATOM 889 CB ASN A 55 188.357 -3.214 0.501 1.00 0.00 C ATOM 890 CG ASN A 55 189.633 -3.768 1.106 1.00 0.00 C ATOM 891 OD1 ASN A 55 189.601 -4.707 1.901 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.767 -3.187 0.729 1.00 0.00 N ATOM 0 H ASN A 55 186.192 -1.888 -0.016 1.00 0.00 H new ATOM 0 HA ASN A 55 188.154 -1.876 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.546 -3.925 0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.485 -3.107 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 55 191.657 -3.517 1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.747 -2.411 0.067 1.00 0.00 H new ATOM 899 N THR A 56 189.259 0.177 1.326 1.00 0.00 N ATOM 900 CA THR A 56 190.092 1.288 0.876 1.00 0.00 C ATOM 901 C THR A 56 191.571 0.940 1.033 1.00 0.00 C ATOM 902 O THR A 56 191.921 0.060 1.820 1.00 0.00 O ATOM 903 CB THR A 56 189.766 2.553 1.676 1.00 0.00 C ATOM 904 OG1 THR A 56 190.456 2.558 2.913 1.00 0.00 O ATOM 905 CG2 THR A 56 188.291 2.712 1.976 1.00 0.00 C ATOM 0 H THR A 56 189.050 0.186 2.324 1.00 0.00 H new ATOM 0 HA THR A 56 189.883 1.472 -0.178 1.00 0.00 H new ATOM 0 HB THR A 56 190.083 3.381 1.042 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.212 1.760 3.427 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.132 3.628 2.545 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.733 2.764 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 56 187.944 1.859 2.559 1.00 0.00 H new ATOM 913 N PRO A 57 192.468 1.619 0.293 1.00 0.00 N ATOM 914 CA PRO A 57 193.910 1.353 0.377 1.00 0.00 C ATOM 915 C PRO A 57 194.463 1.547 1.788 1.00 0.00 C ATOM 916 O PRO A 57 195.560 1.085 2.099 1.00 0.00 O ATOM 917 CB PRO A 57 194.530 2.374 -0.586 1.00 0.00 C ATOM 918 CG PRO A 57 193.478 3.409 -0.788 1.00 0.00 C ATOM 919 CD PRO A 57 192.166 2.687 -0.681 1.00 0.00 C ATOM 0 HA PRO A 57 194.139 0.318 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.437 2.811 -0.167 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.809 1.906 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 57 193.554 4.195 -0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 57 193.582 3.888 -1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.369 3.343 -0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 57 191.846 2.282 -1.641 1.00 0.00 H new ATOM 927 N ASN A 58 193.704 2.234 2.638 1.00 0.00 N ATOM 928 CA ASN A 58 194.131 2.485 4.010 1.00 0.00 C ATOM 929 C ASN A 58 193.468 1.512 4.985 1.00 0.00 C ATOM 930 O ASN A 58 194.005 1.235 6.056 1.00 0.00 O ATOM 931 CB ASN A 58 193.810 3.929 4.409 1.00 0.00 C ATOM 932 CG ASN A 58 195.049 4.705 4.812 1.00 0.00 C ATOM 933 OD1 ASN A 58 195.434 5.669 4.150 1.00 0.00 O ATOM 934 ND2 ASN A 58 195.681 4.289 5.904 1.00 0.00 N ATOM 0 H ASN A 58 192.793 2.626 2.401 1.00 0.00 H new ATOM 0 HA ASN A 58 195.209 2.331 4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 58 193.323 4.434 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.101 3.926 5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 58 196.520 4.773 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 58 195.327 3.485 6.423 1.00 0.00 H new ATOM 941 N GLY A 59 192.300 0.998 4.609 1.00 0.00 N ATOM 942 CA GLY A 59 191.591 0.066 5.468 1.00 0.00 C ATOM 943 C GLY A 59 190.187 -0.229 4.976 1.00 0.00 C ATOM 944 O GLY A 59 189.856 0.044 3.824 1.00 0.00 O ATOM 0 H GLY A 59 191.833 1.210 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.154 -0.866 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.540 0.475 6.477 1.00 0.00 H new ATOM 948 N VAL A 60 189.359 -0.792 5.854 1.00 0.00 N ATOM 949 CA VAL A 60 187.983 -1.124 5.501 1.00 0.00 C ATOM 950 C VAL A 60 186.988 -0.330 6.344 1.00 0.00 C ATOM 951 O VAL A 60 187.165 -0.179 7.552 1.00 0.00 O ATOM 952 CB VAL A 60 187.704 -2.628 5.676 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.332 -2.985 5.126 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.791 -3.457 5.007 1.00 0.00 C ATOM 0 H VAL A 60 189.618 -1.027 6.812 1.00 0.00 H new ATOM 0 HA VAL A 60 187.855 -0.859 4.451 1.00 0.00 H new ATOM 0 HB VAL A 60 187.712 -2.858 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 60 186.153 -4.052 5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.568 -2.420 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.290 -2.739 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.575 -4.517 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.821 -3.226 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.756 -3.223 5.457 1.00 0.00 H new ATOM 964 N LEU A 61 185.949 0.185 5.694 1.00 0.00 N ATOM 965 CA LEU A 61 184.930 0.976 6.377 1.00 0.00 C ATOM 966 C LEU A 61 183.600 0.228 6.446 1.00 0.00 C ATOM 967 O LEU A 61 182.830 0.236 5.488 1.00 0.00 O ATOM 968 CB LEU A 61 184.725 2.315 5.658 1.00 0.00 C ATOM 969 CG LEU A 61 185.767 2.652 4.590 1.00 0.00 C ATOM 970 CD1 LEU A 61 185.399 3.944 3.882 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.152 2.760 5.211 1.00 0.00 C ATOM 0 H LEU A 61 185.790 0.069 4.693 1.00 0.00 H new ATOM 0 HA LEU A 61 185.279 1.157 7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 61 183.740 2.311 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.722 3.111 6.402 1.00 0.00 H new ATOM 0 HG LEU A 61 185.782 1.847 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 61 186.150 4.171 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 61 184.425 3.833 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.358 4.757 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.880 3.000 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.152 3.547 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.417 1.811 5.676 1.00 0.00 H new ATOM 983 N VAL A 62 183.333 -0.410 7.581 1.00 0.00 N ATOM 984 CA VAL A 62 182.091 -1.154 7.757 1.00 0.00 C ATOM 985 C VAL A 62 181.004 -0.272 8.371 1.00 0.00 C ATOM 986 O VAL A 62 180.992 -0.026 9.577 1.00 0.00 O ATOM 987 CB VAL A 62 182.297 -2.417 8.626 1.00 0.00 C ATOM 988 CG1 VAL A 62 182.608 -2.057 10.073 1.00 0.00 C ATOM 989 CG2 VAL A 62 181.074 -3.320 8.550 1.00 0.00 C ATOM 0 H VAL A 62 183.956 -0.427 8.388 1.00 0.00 H new ATOM 0 HA VAL A 62 181.769 -1.472 6.765 1.00 0.00 H new ATOM 0 HB VAL A 62 183.157 -2.957 8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 62 182.746 -2.969 10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 62 183.519 -1.461 10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 62 181.781 -1.483 10.491 1.00 0.00 H new ATOM 0 HG21 VAL A 62 181.235 -4.204 9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 62 180.200 -2.779 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 62 180.910 -3.624 7.516 1.00 0.00 H new ATOM 999 N ALA A 63 180.100 0.222 7.528 1.00 0.00 N ATOM 1000 CA ALA A 63 179.024 1.094 7.987 1.00 0.00 C ATOM 1001 C ALA A 63 177.744 0.313 8.268 1.00 0.00 C ATOM 1002 O ALA A 63 177.279 -0.458 7.431 1.00 0.00 O ATOM 1003 CB ALA A 63 178.756 2.182 6.958 1.00 0.00 C ATOM 0 H ALA A 63 180.092 0.033 6.526 1.00 0.00 H new ATOM 0 HA ALA A 63 179.346 1.551 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 63 177.951 2.827 7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.659 2.775 6.812 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.466 1.725 6.012 1.00 0.00 H new ATOM 1009 N SER A 64 177.176 0.528 9.451 1.00 0.00 N ATOM 1010 CA SER A 64 175.947 -0.148 9.842 1.00 0.00 C ATOM 1011 C SER A 64 174.776 0.828 9.873 1.00 0.00 C ATOM 1012 O SER A 64 174.675 1.664 10.771 1.00 0.00 O ATOM 1013 CB SER A 64 176.112 -0.802 11.214 1.00 0.00 C ATOM 1014 OG SER A 64 177.462 -1.169 11.446 1.00 0.00 O ATOM 0 H SER A 64 177.549 1.166 10.155 1.00 0.00 H new ATOM 0 HA SER A 64 175.737 -0.920 9.101 1.00 0.00 H new ATOM 0 HB2 SER A 64 175.781 -0.113 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 64 175.476 -1.685 11.278 1.00 0.00 H new ATOM 0 HG SER A 64 177.541 -1.583 12.331 1.00 0.00 H new ATOM 1020 N GLY A 65 173.893 0.718 8.886 1.00 0.00 N ATOM 1021 CA GLY A 65 172.740 1.598 8.821 1.00 0.00 C ATOM 1022 C GLY A 65 171.463 0.911 9.261 1.00 0.00 C ATOM 1023 O GLY A 65 170.878 0.133 8.507 1.00 0.00 O ATOM 0 H GLY A 65 173.955 0.036 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 65 172.916 2.470 9.451 1.00 0.00 H new ATOM 0 HA3 GLY A 65 172.621 1.961 7.800 1.00 0.00 H new ATOM 1027 N LYS A 66 171.029 1.199 10.484 1.00 0.00 N ATOM 1028 CA LYS A 66 169.812 0.603 11.023 1.00 0.00 C ATOM 1029 C LYS A 66 168.697 1.640 11.130 1.00 0.00 C ATOM 1030 O LYS A 66 168.764 2.552 11.954 1.00 0.00 O ATOM 1031 CB LYS A 66 170.088 -0.017 12.394 1.00 0.00 C ATOM 1032 CG LYS A 66 169.663 -1.474 12.495 1.00 0.00 C ATOM 1033 CD LYS A 66 169.036 -1.781 13.845 1.00 0.00 C ATOM 1034 CE LYS A 66 168.120 -2.991 13.770 1.00 0.00 C ATOM 1035 NZ LYS A 66 166.893 -2.712 12.973 1.00 0.00 N ATOM 0 H LYS A 66 171.502 1.841 11.120 1.00 0.00 H new ATOM 0 HA LYS A 66 169.486 -0.180 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 66 171.154 0.059 12.611 1.00 0.00 H new ATOM 0 HB3 LYS A 66 169.566 0.560 13.157 1.00 0.00 H new ATOM 0 HG2 LYS A 66 168.951 -1.702 11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 66 170.529 -2.118 12.340 1.00 0.00 H new ATOM 0 HD2 LYS A 66 169.821 -1.962 14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 66 168.470 -0.916 14.190 1.00 0.00 H new ATOM 0 HE2 LYS A 66 168.659 -3.827 13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 66 167.837 -3.295 14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 166.062 -2.730 13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 166.973 -1.774 12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 166.787 -3.436 12.234 1.00 0.00 H new ATOM 1049 N HIS A 67 167.676 1.498 10.290 1.00 0.00 N ATOM 1050 CA HIS A 67 166.549 2.428 10.297 1.00 0.00 C ATOM 1051 C HIS A 67 165.316 1.805 9.648 1.00 0.00 C ATOM 1052 O HIS A 67 165.427 1.024 8.705 1.00 0.00 O ATOM 1053 CB HIS A 67 166.924 3.721 9.570 1.00 0.00 C ATOM 1054 CG HIS A 67 166.196 4.925 10.080 1.00 0.00 C ATOM 1055 ND1 HIS A 67 165.181 5.642 9.542 1.00 0.00 N flip ATOM 1056 CD2 HIS A 67 166.488 5.525 11.288 1.00 0.00 C flip ATOM 1057 CE1 HIS A 67 164.882 6.650 10.425 1.00 0.00 C flip ATOM 1058 NE2 HIS A 67 165.684 6.558 11.469 1.00 0.00 N flip ATOM 0 H HIS A 67 167.605 0.752 9.598 1.00 0.00 H new ATOM 0 HA HIS A 67 166.310 2.657 11.335 1.00 0.00 H new ATOM 0 HB2 HIS A 67 167.997 3.886 9.669 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.716 3.604 8.506 1.00 0.00 H new ATOM 0 HD2 HIS A 67 167.254 5.201 11.977 1.00 0.00 H new ATOM 0 HE1 HIS A 67 164.115 7.397 10.287 1.00 0.00 H new ATOM 0 HE2 HIS A 67 165.683 7.179 12.278 1.00 0.00 H new ATOM 1067 N GLU A 68 164.141 2.158 10.163 1.00 0.00 N ATOM 1068 CA GLU A 68 162.885 1.634 9.636 1.00 0.00 C ATOM 1069 C GLU A 68 162.655 2.083 8.195 1.00 0.00 C ATOM 1070 O GLU A 68 161.910 1.446 7.451 1.00 0.00 O ATOM 1071 CB GLU A 68 161.715 2.080 10.514 1.00 0.00 C ATOM 1072 CG GLU A 68 160.472 1.218 10.357 1.00 0.00 C ATOM 1073 CD GLU A 68 160.346 0.171 11.447 1.00 0.00 C ATOM 1074 OE1 GLU A 68 161.358 -0.109 12.122 1.00 0.00 O ATOM 1075 OE2 GLU A 68 159.233 -0.369 11.624 1.00 0.00 O ATOM 0 H GLU A 68 164.033 2.805 10.944 1.00 0.00 H new ATOM 0 HA GLU A 68 162.948 0.546 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 68 162.028 2.064 11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 68 161.464 3.113 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 68 159.588 1.856 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 68 160.497 0.724 9.386 1.00 0.00 H new ATOM 1082 N ASP A 69 163.292 3.181 7.807 1.00 0.00 N ATOM 1083 CA ASP A 69 163.147 3.706 6.454 1.00 0.00 C ATOM 1084 C ASP A 69 164.292 3.243 5.558 1.00 0.00 C ATOM 1085 O ASP A 69 165.438 3.143 5.995 1.00 0.00 O ATOM 1086 CB ASP A 69 163.083 5.234 6.481 1.00 0.00 C ATOM 1087 CG ASP A 69 162.088 5.752 7.501 1.00 0.00 C ATOM 1088 OD1 ASP A 69 162.212 5.388 8.689 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.185 6.520 7.110 1.00 0.00 O ATOM 0 H ASP A 69 163.912 3.724 8.408 1.00 0.00 H new ATOM 0 HA ASP A 69 162.215 3.319 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 69 164.072 5.633 6.707 1.00 0.00 H new ATOM 0 HB3 ASP A 69 162.810 5.601 5.492 1.00 0.00 H new ATOM 1094 N MET A 70 163.963 2.961 4.302 1.00 0.00 N ATOM 1095 CA MET A 70 164.951 2.501 3.331 1.00 0.00 C ATOM 1096 C MET A 70 165.939 3.612 2.978 1.00 0.00 C ATOM 1097 O MET A 70 167.134 3.507 3.255 1.00 0.00 O ATOM 1098 CB MET A 70 164.241 2.002 2.065 1.00 0.00 C ATOM 1099 CG MET A 70 165.178 1.676 0.910 1.00 0.00 C ATOM 1100 SD MET A 70 164.722 2.524 -0.617 1.00 0.00 S ATOM 1101 CE MET A 70 163.004 2.037 -0.774 1.00 0.00 C ATOM 0 H MET A 70 163.016 3.043 3.931 1.00 0.00 H new ATOM 0 HA MET A 70 165.514 1.682 3.777 1.00 0.00 H new ATOM 0 HB2 MET A 70 163.665 1.111 2.313 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.530 2.761 1.738 1.00 0.00 H new ATOM 0 HG2 MET A 70 166.196 1.952 1.184 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.175 0.600 0.738 1.00 0.00 H new ATOM 0 HE1 MET A 70 162.742 1.963 -1.829 1.00 0.00 H new ATOM 0 HE2 MET A 70 162.855 1.070 -0.294 1.00 0.00 H new ATOM 0 HE3 MET A 70 162.369 2.782 -0.294 1.00 0.00 H new ATOM 1111 N TYR A 71 165.432 4.674 2.359 1.00 0.00 N ATOM 1112 CA TYR A 71 166.273 5.799 1.960 1.00 0.00 C ATOM 1113 C TYR A 71 167.042 6.371 3.146 1.00 0.00 C ATOM 1114 O TYR A 71 168.220 6.708 3.024 1.00 0.00 O ATOM 1115 CB TYR A 71 165.428 6.888 1.295 1.00 0.00 C ATOM 1116 CG TYR A 71 165.340 6.759 -0.214 1.00 0.00 C ATOM 1117 CD1 TYR A 71 165.744 5.597 -0.865 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.853 7.805 -0.990 1.00 0.00 C ATOM 1119 CE1 TYR A 71 165.667 5.481 -2.236 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.772 7.696 -2.366 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.180 6.532 -2.984 1.00 0.00 C ATOM 1122 OH TYR A 71 165.102 6.421 -4.354 1.00 0.00 O ATOM 0 H TYR A 71 164.445 4.780 2.123 1.00 0.00 H new ATOM 0 HA TYR A 71 167.002 5.429 1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.421 6.859 1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 71 165.848 7.863 1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 71 166.125 4.770 -0.284 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.533 8.718 -0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 71 165.987 4.571 -2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 71 164.391 8.518 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 71 165.722 5.727 -4.662 1.00 0.00 H new ATOM 1132 N THR A 72 166.382 6.472 4.293 1.00 0.00 N ATOM 1133 CA THR A 72 167.031 6.995 5.488 1.00 0.00 C ATOM 1134 C THR A 72 168.164 6.071 5.919 1.00 0.00 C ATOM 1135 O THR A 72 169.180 6.522 6.451 1.00 0.00 O ATOM 1136 CB THR A 72 166.022 7.153 6.625 1.00 0.00 C ATOM 1137 OG1 THR A 72 164.773 7.605 6.128 1.00 0.00 O ATOM 1138 CG2 THR A 72 166.468 8.130 7.691 1.00 0.00 C ATOM 0 H THR A 72 165.407 6.201 4.421 1.00 0.00 H new ATOM 0 HA THR A 72 167.443 7.976 5.253 1.00 0.00 H new ATOM 0 HB THR A 72 165.937 6.163 7.073 1.00 0.00 H new ATOM 0 HG1 THR A 72 164.145 7.714 6.872 1.00 0.00 H new ATOM 0 HG21 THR A 72 165.706 8.194 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 72 167.405 7.787 8.130 1.00 0.00 H new ATOM 0 HG23 THR A 72 166.615 9.113 7.245 1.00 0.00 H new ATOM 1146 N ALA A 73 167.987 4.775 5.678 1.00 0.00 N ATOM 1147 CA ALA A 73 168.996 3.785 6.030 1.00 0.00 C ATOM 1148 C ALA A 73 170.238 3.945 5.159 1.00 0.00 C ATOM 1149 O ALA A 73 171.354 3.659 5.593 1.00 0.00 O ATOM 1150 CB ALA A 73 168.432 2.378 5.896 1.00 0.00 C ATOM 0 H ALA A 73 167.152 4.387 5.239 1.00 0.00 H new ATOM 0 HA ALA A 73 169.283 3.947 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.199 1.651 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.577 2.264 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.115 2.210 4.867 1.00 0.00 H new ATOM 1156 N ILE A 74 170.037 4.411 3.930 1.00 0.00 N ATOM 1157 CA ILE A 74 171.149 4.616 3.003 1.00 0.00 C ATOM 1158 C ILE A 74 171.980 5.823 3.428 1.00 0.00 C ATOM 1159 O ILE A 74 173.206 5.755 3.500 1.00 0.00 O ATOM 1160 CB ILE A 74 170.694 4.830 1.536 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.266 4.314 1.291 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.670 4.157 0.582 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.132 2.807 1.349 1.00 0.00 C ATOM 0 H ILE A 74 169.121 4.653 3.553 1.00 0.00 H new ATOM 0 HA ILE A 74 171.740 3.701 3.042 1.00 0.00 H new ATOM 0 HB ILE A 74 170.687 5.904 1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 74 168.600 4.756 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 74 168.929 4.660 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.341 4.313 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 74 172.663 4.587 0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.706 3.088 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.095 2.527 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.770 2.356 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.435 2.452 2.334 1.00 0.00 H new ATOM 1175 N ASN A 75 171.297 6.933 3.702 1.00 0.00 N ATOM 1176 CA ASN A 75 171.961 8.163 4.115 1.00 0.00 C ATOM 1177 C ASN A 75 172.821 7.936 5.356 1.00 0.00 C ATOM 1178 O ASN A 75 174.025 8.190 5.341 1.00 0.00 O ATOM 1179 CB ASN A 75 170.926 9.254 4.391 1.00 0.00 C ATOM 1180 CG ASN A 75 170.299 9.792 3.120 1.00 0.00 C ATOM 1181 OD1 ASN A 75 170.734 10.809 2.580 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.270 9.108 2.633 1.00 0.00 N ATOM 0 H ASN A 75 170.281 7.003 3.644 1.00 0.00 H new ATOM 0 HA ASN A 75 172.613 8.483 3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 75 170.144 8.854 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 75 171.400 10.072 4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 75 168.808 9.421 1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 75 168.942 8.270 3.113 1.00 0.00 H new ATOM 1189 N GLU A 76 172.193 7.458 6.426 1.00 0.00 N ATOM 1190 CA GLU A 76 172.904 7.199 7.676 1.00 0.00 C ATOM 1191 C GLU A 76 174.115 6.300 7.440 1.00 0.00 C ATOM 1192 O GLU A 76 175.200 6.555 7.958 1.00 0.00 O ATOM 1193 CB GLU A 76 171.962 6.556 8.696 1.00 0.00 C ATOM 1194 CG GLU A 76 171.494 7.514 9.779 1.00 0.00 C ATOM 1195 CD GLU A 76 171.100 6.799 11.058 1.00 0.00 C ATOM 1196 OE1 GLU A 76 171.538 5.645 11.251 1.00 0.00 O ATOM 1197 OE2 GLU A 76 170.356 7.393 11.865 1.00 0.00 O ATOM 0 H GLU A 76 171.196 7.242 6.454 1.00 0.00 H new ATOM 0 HA GLU A 76 173.258 8.152 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.092 6.158 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.468 5.711 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 76 172.289 8.228 9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 76 170.643 8.087 9.410 1.00 0.00 H new ATOM 1204 N LEU A 77 173.917 5.247 6.653 1.00 0.00 N ATOM 1205 CA LEU A 77 174.989 4.308 6.344 1.00 0.00 C ATOM 1206 C LEU A 77 176.178 5.022 5.706 1.00 0.00 C ATOM 1207 O LEU A 77 177.330 4.781 6.068 1.00 0.00 O ATOM 1208 CB LEU A 77 174.473 3.216 5.405 1.00 0.00 C ATOM 1209 CG LEU A 77 175.504 2.159 5.007 1.00 0.00 C ATOM 1210 CD1 LEU A 77 174.855 0.784 4.915 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.165 2.528 3.687 1.00 0.00 C ATOM 0 H LEU A 77 173.022 5.023 6.217 1.00 0.00 H new ATOM 0 HA LEU A 77 175.323 3.855 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 77 173.630 2.717 5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.092 3.688 4.499 1.00 0.00 H new ATOM 0 HG LEU A 77 176.273 2.123 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 77 175.605 0.046 4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.431 0.516 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.064 0.805 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 77 176.896 1.764 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.407 2.594 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.667 3.490 3.788 1.00 0.00 H new ATOM 1223 N ILE A 78 175.887 5.898 4.750 1.00 0.00 N ATOM 1224 CA ILE A 78 176.925 6.645 4.052 1.00 0.00 C ATOM 1225 C ILE A 78 177.714 7.534 5.014 1.00 0.00 C ATOM 1226 O ILE A 78 178.935 7.648 4.907 1.00 0.00 O ATOM 1227 CB ILE A 78 176.319 7.496 2.906 1.00 0.00 C ATOM 1228 CG1 ILE A 78 177.090 7.261 1.606 1.00 0.00 C ATOM 1229 CG2 ILE A 78 176.298 8.981 3.253 1.00 0.00 C ATOM 1230 CD1 ILE A 78 178.504 7.795 1.631 1.00 0.00 C ATOM 0 H ILE A 78 174.938 6.108 4.441 1.00 0.00 H new ATOM 0 HA ILE A 78 177.614 5.920 3.619 1.00 0.00 H new ATOM 0 HB ILE A 78 175.285 7.178 2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.119 6.191 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 78 176.549 7.729 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.866 9.542 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.697 9.137 4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 78 177.316 9.327 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 78 178.987 7.591 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 78 178.484 8.871 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 78 179.063 7.309 2.431 1.00 0.00 H new ATOM 1242 N ASN A 79 177.009 8.162 5.950 1.00 0.00 N ATOM 1243 CA ASN A 79 177.646 9.040 6.927 1.00 0.00 C ATOM 1244 C ASN A 79 178.732 8.299 7.702 1.00 0.00 C ATOM 1245 O ASN A 79 179.853 8.788 7.843 1.00 0.00 O ATOM 1246 CB ASN A 79 176.605 9.602 7.894 1.00 0.00 C ATOM 1247 CG ASN A 79 175.670 10.593 7.230 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.911 11.032 6.104 1.00 0.00 O ATOM 1249 ND2 ASN A 79 174.595 10.951 7.923 1.00 0.00 N ATOM 0 H ASN A 79 175.998 8.080 6.053 1.00 0.00 H new ATOM 0 HA ASN A 79 178.111 9.864 6.387 1.00 0.00 H new ATOM 0 HB2 ASN A 79 176.022 8.781 8.312 1.00 0.00 H new ATOM 0 HB3 ASN A 79 177.113 10.089 8.727 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.930 11.614 7.526 1.00 0.00 H new ATOM 0 HD22 ASN A 79 174.435 10.562 8.852 1.00 0.00 H new ATOM 1256 N LYS A 80 178.388 7.116 8.203 1.00 0.00 N ATOM 1257 CA LYS A 80 179.333 6.304 8.963 1.00 0.00 C ATOM 1258 C LYS A 80 180.589 6.018 8.146 1.00 0.00 C ATOM 1259 O LYS A 80 181.707 6.172 8.636 1.00 0.00 O ATOM 1260 CB LYS A 80 178.677 4.988 9.391 1.00 0.00 C ATOM 1261 CG LYS A 80 179.058 4.546 10.795 1.00 0.00 C ATOM 1262 CD LYS A 80 179.860 3.256 10.780 1.00 0.00 C ATOM 1263 CE LYS A 80 180.975 3.279 11.814 1.00 0.00 C ATOM 1264 NZ LYS A 80 182.082 4.192 11.416 1.00 0.00 N ATOM 0 H LYS A 80 177.463 6.699 8.097 1.00 0.00 H new ATOM 0 HA LYS A 80 179.622 6.865 9.852 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.594 5.097 9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 80 178.956 4.206 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 80 179.640 5.331 11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.155 4.406 11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 80 179.198 2.413 10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 80 180.286 3.103 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 80 180.572 3.595 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 80 181.366 2.271 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 182.977 3.848 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 182.156 4.217 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 181.887 5.150 11.772 1.00 0.00 H new ATOM 1278 N LEU A 81 180.395 5.599 6.899 1.00 0.00 N ATOM 1279 CA LEU A 81 181.512 5.289 6.011 1.00 0.00 C ATOM 1280 C LEU A 81 182.445 6.489 5.856 1.00 0.00 C ATOM 1281 O LEU A 81 183.668 6.342 5.872 1.00 0.00 O ATOM 1282 CB LEU A 81 180.991 4.858 4.638 1.00 0.00 C ATOM 1283 CG LEU A 81 180.603 3.381 4.527 1.00 0.00 C ATOM 1284 CD1 LEU A 81 179.197 3.236 3.964 1.00 0.00 C ATOM 1285 CD2 LEU A 81 181.604 2.627 3.663 1.00 0.00 C ATOM 0 H LEU A 81 179.475 5.466 6.480 1.00 0.00 H new ATOM 0 HA LEU A 81 182.077 4.471 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 81 180.121 5.466 4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 81 181.756 5.074 3.892 1.00 0.00 H new ATOM 0 HG LEU A 81 180.618 2.949 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 81 178.941 2.179 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 81 178.488 3.738 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 81 179.154 3.687 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 81 181.311 1.579 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 81 181.623 3.063 2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 81 182.596 2.698 4.109 1.00 0.00 H new ATOM 1297 N GLU A 82 181.863 7.678 5.701 1.00 0.00 N ATOM 1298 CA GLU A 82 182.648 8.901 5.538 1.00 0.00 C ATOM 1299 C GLU A 82 183.612 9.093 6.705 1.00 0.00 C ATOM 1300 O GLU A 82 184.829 9.017 6.535 1.00 0.00 O ATOM 1301 CB GLU A 82 181.728 10.116 5.416 1.00 0.00 C ATOM 1302 CG GLU A 82 182.317 11.243 4.584 1.00 0.00 C ATOM 1303 CD GLU A 82 181.794 12.605 4.995 1.00 0.00 C ATOM 1304 OE1 GLU A 82 180.557 12.769 5.071 1.00 0.00 O ATOM 1305 OE2 GLU A 82 182.619 13.508 5.245 1.00 0.00 O ATOM 0 H GLU A 82 180.853 7.820 5.685 1.00 0.00 H new ATOM 0 HA GLU A 82 183.231 8.804 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.783 9.803 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 82 181.502 10.492 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 82 183.403 11.231 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.087 11.072 3.532 1.00 0.00 H new ATOM 1312 N ARG A 83 183.064 9.339 7.892 1.00 0.00 N ATOM 1313 CA ARG A 83 183.882 9.538 9.087 1.00 0.00 C ATOM 1314 C ARG A 83 184.903 8.410 9.225 1.00 0.00 C ATOM 1315 O ARG A 83 186.067 8.646 9.551 1.00 0.00 O ATOM 1316 CB ARG A 83 182.983 9.628 10.333 1.00 0.00 C ATOM 1317 CG ARG A 83 183.417 8.750 11.500 1.00 0.00 C ATOM 1318 CD ARG A 83 184.747 9.204 12.082 1.00 0.00 C ATOM 1319 NE ARG A 83 184.621 9.623 13.476 1.00 0.00 N ATOM 1320 CZ ARG A 83 185.601 10.199 14.168 1.00 0.00 C ATOM 1321 NH1 ARG A 83 186.780 10.425 13.602 1.00 0.00 N ATOM 1322 NH2 ARG A 83 185.402 10.549 15.432 1.00 0.00 N ATOM 0 H ARG A 83 182.059 9.405 8.053 1.00 0.00 H new ATOM 0 HA ARG A 83 184.429 10.476 8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 83 182.954 10.665 10.668 1.00 0.00 H new ATOM 0 HB3 ARG A 83 181.966 9.355 10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 83 182.653 8.774 12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 83 183.500 7.716 11.166 1.00 0.00 H new ATOM 0 HD2 ARG A 83 185.470 8.391 12.012 1.00 0.00 H new ATOM 0 HD3 ARG A 83 185.139 10.031 11.489 1.00 0.00 H new ATOM 0 HE ARG A 83 183.730 9.465 13.946 1.00 0.00 H new ATOM 0 HH11 ARG A 83 186.939 10.157 12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 83 187.527 10.867 14.138 1.00 0.00 H new ATOM 0 HH21 ARG A 83 184.498 10.377 15.873 1.00 0.00 H new ATOM 0 HH22 ARG A 83 186.153 10.991 15.963 1.00 0.00 H new ATOM 1336 N GLN A 84 184.460 7.188 8.962 1.00 0.00 N ATOM 1337 CA GLN A 84 185.337 6.030 9.043 1.00 0.00 C ATOM 1338 C GLN A 84 186.444 6.132 8.001 1.00 0.00 C ATOM 1339 O GLN A 84 187.568 5.679 8.224 1.00 0.00 O ATOM 1340 CB GLN A 84 184.537 4.748 8.829 1.00 0.00 C ATOM 1341 CG GLN A 84 185.032 3.569 9.652 1.00 0.00 C ATOM 1342 CD GLN A 84 184.001 2.464 9.752 1.00 0.00 C ATOM 1343 OE1 GLN A 84 183.276 2.232 8.662 1.00 0.00 O flip ATOM 1344 NE2 GLN A 84 183.857 1.825 10.795 1.00 0.00 N flip ATOM 0 H GLN A 84 183.500 6.974 8.691 1.00 0.00 H new ATOM 0 HA GLN A 84 185.788 6.004 10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.492 4.938 9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.572 4.481 7.773 1.00 0.00 H new ATOM 0 HG2 GLN A 84 185.943 3.173 9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.292 3.912 10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 84 184.436 2.038 11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 84 183.159 1.083 10.846 1.00 0.00 H new ATOM 1353 N LEU A 85 186.117 6.741 6.863 1.00 0.00 N ATOM 1354 CA LEU A 85 187.082 6.918 5.784 1.00 0.00 C ATOM 1355 C LEU A 85 188.267 7.749 6.261 1.00 0.00 C ATOM 1356 O LEU A 85 189.379 7.245 6.396 1.00 0.00 O ATOM 1357 CB LEU A 85 186.415 7.599 4.580 1.00 0.00 C ATOM 1358 CG LEU A 85 186.614 6.913 3.222 1.00 0.00 C ATOM 1359 CD1 LEU A 85 186.469 7.919 2.093 1.00 0.00 C ATOM 1360 CD2 LEU A 85 187.972 6.224 3.145 1.00 0.00 C ATOM 0 H LEU A 85 185.191 7.120 6.666 1.00 0.00 H new ATOM 0 HA LEU A 85 187.443 5.936 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.345 7.670 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 85 186.794 8.618 4.509 1.00 0.00 H new ATOM 0 HG LEU A 85 185.842 6.151 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 85 186.613 7.416 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 85 185.473 8.360 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 85 187.217 8.704 2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 85 188.083 5.747 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 85 188.763 6.962 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 85 188.042 5.470 3.929 1.00 0.00 H new ATOM 1372 N ASN A 86 188.011 9.031 6.515 1.00 0.00 N ATOM 1373 CA ASN A 86 189.053 9.948 6.981 1.00 0.00 C ATOM 1374 C ASN A 86 189.881 9.323 8.103 1.00 0.00 C ATOM 1375 O ASN A 86 191.093 9.527 8.181 1.00 0.00 O ATOM 1376 CB ASN A 86 188.448 11.277 7.461 1.00 0.00 C ATOM 1377 CG ASN A 86 187.022 11.145 7.958 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.781 10.952 9.149 1.00 0.00 O ATOM 1379 ND2 ASN A 86 186.069 11.254 7.040 1.00 0.00 N ATOM 0 H ASN A 86 187.092 9.459 6.406 1.00 0.00 H new ATOM 0 HA ASN A 86 189.709 10.147 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 86 189.068 11.682 8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.474 11.996 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 86 185.089 11.178 7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 86 186.317 11.414 6.064 1.00 0.00 H new ATOM 1386 N LYS A 87 189.218 8.558 8.966 1.00 0.00 N ATOM 1387 CA LYS A 87 189.891 7.902 10.082 1.00 0.00 C ATOM 1388 C LYS A 87 190.976 6.949 9.583 1.00 0.00 C ATOM 1389 O LYS A 87 192.151 7.110 9.907 1.00 0.00 O ATOM 1390 CB LYS A 87 188.874 7.139 10.935 1.00 0.00 C ATOM 1391 CG LYS A 87 189.499 6.349 12.075 1.00 0.00 C ATOM 1392 CD LYS A 87 189.778 4.908 11.669 1.00 0.00 C ATOM 1393 CE LYS A 87 188.876 3.934 12.412 1.00 0.00 C ATOM 1394 NZ LYS A 87 187.455 4.055 11.986 1.00 0.00 N ATOM 0 H LYS A 87 188.215 8.377 8.914 1.00 0.00 H new ATOM 0 HA LYS A 87 190.366 8.670 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.155 7.847 11.347 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.316 6.456 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 87 190.428 6.827 12.384 1.00 0.00 H new ATOM 0 HG3 LYS A 87 188.832 6.363 12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 87 189.629 4.796 10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.821 4.667 11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 87 189.221 2.915 12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 87 188.950 4.117 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 186.926 3.216 12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 187.037 4.907 12.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 187.408 4.126 10.949 1.00 0.00 H new ATOM 1408 N LEU A 88 190.572 5.954 8.800 1.00 0.00 N ATOM 1409 CA LEU A 88 191.509 4.974 8.264 1.00 0.00 C ATOM 1410 C LEU A 88 192.419 5.602 7.212 1.00 0.00 C ATOM 1411 O LEU A 88 193.595 5.252 7.108 1.00 0.00 O ATOM 1412 CB LEU A 88 190.753 3.790 7.661 1.00 0.00 C ATOM 1413 CG LEU A 88 190.414 2.668 8.644 1.00 0.00 C ATOM 1414 CD1 LEU A 88 189.459 1.671 8.009 1.00 0.00 C ATOM 1415 CD2 LEU A 88 191.684 1.970 9.110 1.00 0.00 C ATOM 0 H LEU A 88 189.602 5.805 8.523 1.00 0.00 H new ATOM 0 HA LEU A 88 192.130 4.619 9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 88 189.827 4.157 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 88 191.350 3.373 6.850 1.00 0.00 H new ATOM 0 HG LEU A 88 189.922 3.107 9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 88 189.230 0.881 8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 88 188.538 2.180 7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 88 189.923 1.236 7.124 1.00 0.00 H new ATOM 0 HD21 LEU A 88 191.426 1.174 9.809 1.00 0.00 H new ATOM 0 HD22 LEU A 88 192.202 1.544 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 88 192.335 2.691 9.605 1.00 0.00 H new