USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 715 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 Single : A 1 VAL N :NH3+ 165:sc= -0.0814 (180deg=-0.407) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 37:sc= 0.0255 USER MOD Single : A 7 THR OG1 : rot -36:sc= 0.23 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -90:sc= -1.29 USER MOD Single : A 13 ASN : amide:sc= -0.659! C(o=-0.66!,f=-7.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.22 K(o=-0.22,f=-0.9) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 174:sc= 0.0766 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.44) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -137:sc= -1.75 (180deg=-8.04!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 0:sc= 0.816 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 65 ASN : amide:sc= 0.198! C(o=0.2!,f=-6.1!) USER MOD Single : A 70 THR OG1 : rot 58:sc= -0.781 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.27) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 15:sc= -0.0712 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc=-0.00754 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.182 13.727 23.151 1.00 0.00 N ATOM 2 CA VAL A 1 2.286 13.717 24.637 1.00 0.00 C ATOM 3 C VAL A 1 3.713 14.041 25.065 1.00 0.00 C ATOM 4 O VAL A 1 4.538 13.142 25.234 1.00 0.00 O ATOM 5 CB VAL A 1 1.873 12.360 25.201 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.716 11.246 24.588 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.997 12.351 26.722 1.00 0.00 C ATOM 0 H1 VAL A 1 1.296 13.266 22.862 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.189 14.709 22.809 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.989 13.213 22.743 1.00 0.00 H new ATOM 0 HA VAL A 1 1.611 14.476 25.031 1.00 0.00 H new ATOM 0 HB VAL A 1 0.829 12.184 24.941 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.407 10.286 25.002 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.576 11.237 23.507 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.768 11.418 24.816 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.698 11.375 27.106 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.031 12.551 27.004 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.351 13.120 27.144 1.00 0.00 H new ATOM 19 N PRO A 2 4.023 15.337 25.248 1.00 0.00 N ATOM 20 CA PRO A 2 5.362 15.782 25.661 1.00 0.00 C ATOM 21 C PRO A 2 5.621 15.520 27.141 1.00 0.00 C ATOM 22 O PRO A 2 4.712 15.612 27.965 1.00 0.00 O ATOM 23 CB PRO A 2 5.360 17.276 25.369 1.00 0.00 C ATOM 24 CG PRO A 2 3.925 17.689 25.408 1.00 0.00 C ATOM 25 CD PRO A 2 3.098 16.471 25.070 1.00 0.00 C ATOM 0 HA PRO A 2 6.149 15.244 25.133 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.945 17.821 26.109 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.802 17.486 24.395 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.662 18.071 26.394 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.737 18.492 24.695 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.232 16.384 25.727 1.00 0.00 H new ATOM 0 HD3 PRO A 2 2.720 16.519 24.049 1.00 0.00 H new ATOM 33 N LYS A 3 6.866 15.191 27.470 1.00 0.00 N ATOM 34 CA LYS A 3 7.244 14.912 28.852 1.00 0.00 C ATOM 35 C LYS A 3 8.378 15.829 29.291 1.00 0.00 C ATOM 36 O LYS A 3 9.548 15.447 29.254 1.00 0.00 O ATOM 37 CB LYS A 3 7.672 13.454 28.992 1.00 0.00 C ATOM 38 CG LYS A 3 6.729 12.525 28.233 1.00 0.00 C ATOM 39 CD LYS A 3 7.187 11.072 28.329 1.00 0.00 C ATOM 40 CE LYS A 3 6.070 10.174 28.854 1.00 0.00 C ATOM 41 NZ LYS A 3 6.483 8.742 28.860 1.00 0.00 N ATOM 0 H LYS A 3 7.630 15.111 26.799 1.00 0.00 H new ATOM 0 HA LYS A 3 6.380 15.095 29.491 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.687 13.333 28.615 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.689 13.177 30.046 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.721 12.618 28.636 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.683 12.826 27.186 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.506 10.723 27.347 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.052 11.004 28.988 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.799 10.481 29.864 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.181 10.296 28.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.703 8.157 29.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.718 8.445 27.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.316 8.624 29.471 1.00 0.00 H new ATOM 55 N VAL A 4 8.026 17.040 29.709 1.00 0.00 N ATOM 56 CA VAL A 4 9.016 18.014 30.159 1.00 0.00 C ATOM 57 C VAL A 4 9.856 17.428 31.284 1.00 0.00 C ATOM 58 O VAL A 4 9.493 16.421 31.893 1.00 0.00 O ATOM 59 CB VAL A 4 8.313 19.298 30.618 1.00 0.00 C ATOM 60 CG1 VAL A 4 7.095 18.965 31.475 1.00 0.00 C ATOM 61 CG2 VAL A 4 9.257 20.236 31.373 1.00 0.00 C ATOM 0 H VAL A 4 7.062 17.372 29.746 1.00 0.00 H new ATOM 0 HA VAL A 4 9.679 18.259 29.330 1.00 0.00 H new ATOM 0 HB VAL A 4 7.984 19.823 29.721 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.609 19.888 31.791 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.394 18.367 30.894 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.411 18.402 32.353 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.714 21.131 31.678 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.645 19.728 32.256 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.086 20.518 30.724 1.00 0.00 H new ATOM 71 N THR A 5 10.981 18.073 31.548 1.00 0.00 N ATOM 72 CA THR A 5 11.894 17.635 32.599 1.00 0.00 C ATOM 73 C THR A 5 12.492 18.837 33.318 1.00 0.00 C ATOM 74 O THR A 5 13.020 19.750 32.685 1.00 0.00 O ATOM 75 CB THR A 5 13.006 16.779 32.000 1.00 0.00 C ATOM 76 OG1 THR A 5 13.488 17.375 30.806 1.00 0.00 O ATOM 77 CG2 THR A 5 12.508 15.366 31.716 1.00 0.00 C ATOM 0 H THR A 5 11.288 18.907 31.047 1.00 0.00 H new ATOM 0 HA THR A 5 11.335 17.040 33.321 1.00 0.00 H new ATOM 0 HB THR A 5 13.820 16.717 32.722 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.500 18.350 30.909 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.318 14.774 31.289 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.172 14.905 32.645 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.678 15.408 31.010 1.00 0.00 H new ATOM 85 N PHE A 6 12.405 18.830 34.644 1.00 0.00 N ATOM 86 CA PHE A 6 12.938 19.921 35.454 1.00 0.00 C ATOM 87 C PHE A 6 14.316 19.555 35.989 1.00 0.00 C ATOM 88 O PHE A 6 14.775 18.424 35.825 1.00 0.00 O ATOM 89 CB PHE A 6 11.991 20.221 36.611 1.00 0.00 C ATOM 90 CG PHE A 6 10.629 20.671 36.145 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.803 19.791 35.466 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.205 21.966 36.392 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.553 20.205 35.036 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.956 22.381 35.961 1.00 0.00 C ATOM 95 CZ PHE A 6 8.130 21.500 35.283 1.00 0.00 C ATOM 0 H PHE A 6 11.970 18.080 35.182 1.00 0.00 H new ATOM 0 HA PHE A 6 13.029 20.810 34.830 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.883 19.329 37.228 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.429 20.994 37.242 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.134 18.781 35.272 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.849 22.653 36.921 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.908 19.518 34.508 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.626 23.391 36.154 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.156 21.823 34.947 1.00 0.00 H new ATOM 105 N THR A 7 14.975 20.517 36.627 1.00 0.00 N ATOM 106 CA THR A 7 16.305 20.292 37.183 1.00 0.00 C ATOM 107 C THR A 7 16.673 21.408 38.152 1.00 0.00 C ATOM 108 O THR A 7 16.767 22.574 37.767 1.00 0.00 O ATOM 109 CB THR A 7 17.334 20.220 36.058 1.00 0.00 C ATOM 110 OG1 THR A 7 16.872 19.355 35.033 1.00 0.00 O ATOM 111 CG2 THR A 7 18.680 19.732 36.586 1.00 0.00 C ATOM 0 H THR A 7 14.611 21.459 36.772 1.00 0.00 H new ATOM 0 HA THR A 7 16.300 19.347 37.726 1.00 0.00 H new ATOM 0 HB THR A 7 17.468 21.221 35.649 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.379 18.608 35.433 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.398 19.688 35.767 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.042 20.420 37.350 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.563 18.738 37.019 1.00 0.00 H new ATOM 119 N VAL A 8 16.880 21.043 39.412 1.00 0.00 N ATOM 120 CA VAL A 8 17.240 22.010 40.444 1.00 0.00 C ATOM 121 C VAL A 8 18.536 22.720 40.073 1.00 0.00 C ATOM 122 O VAL A 8 19.628 22.224 40.350 1.00 0.00 O ATOM 123 CB VAL A 8 17.399 21.300 41.785 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.564 22.313 42.915 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.203 20.391 42.050 1.00 0.00 C ATOM 0 H VAL A 8 16.805 20.082 39.745 1.00 0.00 H new ATOM 0 HA VAL A 8 16.446 22.752 40.524 1.00 0.00 H new ATOM 0 HB VAL A 8 18.298 20.685 41.745 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.676 21.786 43.863 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.449 22.922 42.732 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.685 22.956 42.959 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.331 19.892 43.010 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.290 20.987 42.070 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.131 19.644 41.259 1.00 0.00 H new ATOM 135 N GLU A 9 18.408 23.882 39.442 1.00 0.00 N ATOM 136 CA GLU A 9 19.569 24.662 39.029 1.00 0.00 C ATOM 137 C GLU A 9 20.528 24.855 40.197 1.00 0.00 C ATOM 138 O GLU A 9 20.211 24.512 41.336 1.00 0.00 O ATOM 139 CB GLU A 9 19.122 26.017 38.493 1.00 0.00 C ATOM 140 CG GLU A 9 19.339 26.111 36.985 1.00 0.00 C ATOM 141 CD GLU A 9 20.043 27.415 36.632 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.064 28.330 37.480 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.572 27.518 35.505 1.00 0.00 O ATOM 0 H GLU A 9 17.511 24.305 39.205 1.00 0.00 H new ATOM 0 HA GLU A 9 20.089 24.119 38.240 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.068 26.172 38.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.677 26.810 38.993 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.934 25.264 36.643 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.381 26.056 36.469 1.00 0.00 H new ATOM 150 N LYS A 10 21.702 25.405 39.905 1.00 0.00 N ATOM 151 CA LYS A 10 22.713 25.646 40.929 1.00 0.00 C ATOM 152 C LYS A 10 22.466 26.983 41.615 1.00 0.00 C ATOM 153 O LYS A 10 23.340 27.850 41.643 1.00 0.00 O ATOM 154 CB LYS A 10 24.103 25.629 40.297 1.00 0.00 C ATOM 155 CG LYS A 10 25.084 24.815 41.136 1.00 0.00 C ATOM 156 CD LYS A 10 26.451 25.491 41.197 1.00 0.00 C ATOM 157 CE LYS A 10 27.140 25.471 39.835 1.00 0.00 C ATOM 158 NZ LYS A 10 28.267 26.445 39.784 1.00 0.00 N ATOM 0 H LYS A 10 21.977 25.693 38.966 1.00 0.00 H new ATOM 0 HA LYS A 10 22.651 24.856 41.678 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.043 25.208 39.293 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.470 26.650 40.193 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.690 24.694 42.145 1.00 0.00 H new ATOM 0 HG3 LYS A 10 25.188 23.816 40.712 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.335 26.521 41.533 1.00 0.00 H new ATOM 0 HD3 LYS A 10 27.077 24.985 41.931 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.514 24.468 39.629 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.416 25.708 39.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.715 26.408 38.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.905 27.404 39.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.968 26.203 40.513 1.00 0.00 H new ATOM 172 N GLY A 11 21.270 27.144 42.171 1.00 0.00 N ATOM 173 CA GLY A 11 20.903 28.376 42.861 1.00 0.00 C ATOM 174 C GLY A 11 19.946 28.086 44.011 1.00 0.00 C ATOM 175 O GLY A 11 19.169 28.950 44.417 1.00 0.00 O ATOM 0 H GLY A 11 20.537 26.435 42.157 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.799 28.866 43.242 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.436 29.067 42.159 1.00 0.00 H new ATOM 179 N SER A 12 20.007 26.865 44.534 1.00 0.00 N ATOM 180 CA SER A 12 19.146 26.460 45.640 1.00 0.00 C ATOM 181 C SER A 12 19.911 26.529 46.955 1.00 0.00 C ATOM 182 O SER A 12 20.856 25.772 47.175 1.00 0.00 O ATOM 183 CB SER A 12 18.635 25.040 45.409 1.00 0.00 C ATOM 184 OG SER A 12 18.857 24.643 44.065 1.00 0.00 O ATOM 0 H SER A 12 20.645 26.138 44.209 1.00 0.00 H new ATOM 0 HA SER A 12 18.296 27.141 45.691 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.140 24.351 46.086 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.571 24.989 45.638 1.00 0.00 H new ATOM 0 HG SER A 12 18.080 24.886 43.520 1.00 0.00 H new ATOM 190 N ASN A 13 19.499 27.443 47.828 1.00 0.00 N ATOM 191 CA ASN A 13 20.150 27.613 49.124 1.00 0.00 C ATOM 192 C ASN A 13 19.209 27.208 50.252 1.00 0.00 C ATOM 193 O ASN A 13 19.574 26.414 51.119 1.00 0.00 O ATOM 194 CB ASN A 13 20.593 29.065 49.307 1.00 0.00 C ATOM 195 CG ASN A 13 19.512 30.022 48.818 1.00 0.00 C ATOM 196 OD1 ASN A 13 18.429 30.101 49.396 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.810 30.753 47.750 1.00 0.00 N ATOM 0 H ASN A 13 18.718 28.077 47.662 1.00 0.00 H new ATOM 0 HA ASN A 13 21.029 26.969 49.155 1.00 0.00 H new ATOM 0 HB2 ASN A 13 20.806 29.256 50.359 1.00 0.00 H new ATOM 0 HB3 ASN A 13 21.518 29.241 48.757 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.128 31.413 47.377 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.721 30.654 47.303 1.00 0.00 H new ATOM 204 N GLU A 14 17.999 27.756 50.239 1.00 0.00 N ATOM 205 CA GLU A 14 17.010 27.449 51.267 1.00 0.00 C ATOM 206 C GLU A 14 15.630 27.943 50.853 1.00 0.00 C ATOM 207 O GLU A 14 14.710 27.149 50.655 1.00 0.00 O ATOM 208 CB GLU A 14 17.415 28.099 52.585 1.00 0.00 C ATOM 209 CG GLU A 14 18.139 27.107 53.488 1.00 0.00 C ATOM 210 CD GLU A 14 17.558 27.152 54.895 1.00 0.00 C ATOM 211 OE1 GLU A 14 17.311 28.266 55.402 1.00 0.00 O ATOM 212 OE2 GLU A 14 17.349 26.072 55.488 1.00 0.00 O ATOM 0 H GLU A 14 17.679 28.415 49.529 1.00 0.00 H new ATOM 0 HA GLU A 14 16.968 26.367 51.393 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.061 28.955 52.388 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.529 28.479 53.094 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.047 26.100 53.081 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.203 27.342 53.519 1.00 0.00 H new ATOM 219 N LYS A 15 15.489 29.259 50.736 1.00 0.00 N ATOM 220 CA LYS A 15 14.213 29.863 50.358 1.00 0.00 C ATOM 221 C LYS A 15 14.079 29.924 48.843 1.00 0.00 C ATOM 222 O LYS A 15 12.970 29.924 48.309 1.00 0.00 O ATOM 223 CB LYS A 15 14.097 31.274 50.939 1.00 0.00 C ATOM 224 CG LYS A 15 14.767 31.389 52.310 1.00 0.00 C ATOM 225 CD LYS A 15 14.326 30.265 53.246 1.00 0.00 C ATOM 226 CE LYS A 15 12.804 30.158 53.307 1.00 0.00 C ATOM 227 NZ LYS A 15 12.360 29.452 54.542 1.00 0.00 N ATOM 0 H LYS A 15 16.241 29.929 50.897 1.00 0.00 H new ATOM 0 HA LYS A 15 13.412 29.243 50.761 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.553 31.987 50.252 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.045 31.544 51.026 1.00 0.00 H new ATOM 0 HG2 LYS A 15 15.850 31.360 52.190 1.00 0.00 H new ATOM 0 HG3 LYS A 15 14.521 32.353 52.756 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.746 29.319 52.904 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.720 30.446 54.246 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.366 31.156 53.278 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.439 29.624 52.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.322 29.395 54.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.760 28.492 54.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.688 29.976 55.378 1.00 0.00 H new ATOM 241 N HIS A 16 15.212 29.986 48.153 1.00 0.00 N ATOM 242 CA HIS A 16 15.218 30.059 46.696 1.00 0.00 C ATOM 243 C HIS A 16 15.295 28.667 46.084 1.00 0.00 C ATOM 244 O HIS A 16 16.193 27.886 46.399 1.00 0.00 O ATOM 245 CB HIS A 16 16.399 30.898 46.222 1.00 0.00 C ATOM 246 CG HIS A 16 16.274 32.340 46.603 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.146 32.766 47.899 1.00 0.00 N ATOM 248 CD2 HIS A 16 16.252 33.474 45.857 1.00 0.00 C ATOM 249 CE1 HIS A 16 16.051 34.073 47.958 1.00 0.00 C ATOM 250 NE2 HIS A 16 16.112 34.544 46.722 1.00 0.00 N ATOM 0 H HIS A 16 16.139 29.987 48.579 1.00 0.00 H new ATOM 0 HA HIS A 16 14.288 30.527 46.373 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.319 30.494 46.644 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.484 30.819 45.138 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.330 33.530 44.781 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.942 34.662 48.857 1.00 0.00 H new ATOM 0 HE2 HIS A 16 16.064 35.527 46.454 1.00 0.00 H new ATOM 258 N LEU A 17 14.351 28.369 45.199 1.00 0.00 N ATOM 259 CA LEU A 17 14.309 27.077 44.525 1.00 0.00 C ATOM 260 C LEU A 17 14.498 27.275 43.028 1.00 0.00 C ATOM 261 O LEU A 17 13.533 27.458 42.286 1.00 0.00 O ATOM 262 CB LEU A 17 12.976 26.381 44.806 1.00 0.00 C ATOM 263 CG LEU A 17 13.137 24.865 44.933 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.465 24.244 43.579 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.214 24.514 45.958 1.00 0.00 C ATOM 0 H LEU A 17 13.602 29.007 44.931 1.00 0.00 H new ATOM 0 HA LEU A 17 15.114 26.448 44.904 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.546 26.778 45.726 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.274 26.605 44.003 1.00 0.00 H new ATOM 0 HG LEU A 17 12.190 24.453 45.281 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.576 23.165 43.691 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.659 24.455 42.877 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.396 24.667 43.201 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.309 23.430 46.030 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.167 24.942 45.646 1.00 0.00 H new ATOM 0 HD23 LEU A 17 13.936 24.919 46.931 1.00 0.00 H new ATOM 277 N ALA A 18 15.754 27.249 42.595 1.00 0.00 N ATOM 278 CA ALA A 18 16.089 27.438 41.188 1.00 0.00 C ATOM 279 C ALA A 18 15.955 26.130 40.421 1.00 0.00 C ATOM 280 O ALA A 18 16.552 25.118 40.787 1.00 0.00 O ATOM 281 CB ALA A 18 17.516 27.963 41.062 1.00 0.00 C ATOM 0 H ALA A 18 16.560 27.098 43.201 1.00 0.00 H new ATOM 0 HA ALA A 18 15.395 28.163 40.763 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.761 28.102 40.009 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.600 28.917 41.583 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.208 27.246 41.504 1.00 0.00 H new ATOM 287 N VAL A 19 15.177 26.164 39.346 1.00 0.00 N ATOM 288 CA VAL A 19 14.968 24.990 38.509 1.00 0.00 C ATOM 289 C VAL A 19 15.583 25.224 37.138 1.00 0.00 C ATOM 290 O VAL A 19 16.248 26.233 36.915 1.00 0.00 O ATOM 291 CB VAL A 19 13.474 24.700 38.373 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.834 24.530 39.748 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.778 25.812 37.592 1.00 0.00 C ATOM 0 H VAL A 19 14.678 26.997 39.033 1.00 0.00 H new ATOM 0 HA VAL A 19 15.449 24.129 38.974 1.00 0.00 H new ATOM 0 HB VAL A 19 13.356 23.768 37.820 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.770 24.324 39.631 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.309 23.700 40.270 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.965 25.445 40.326 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.715 25.586 37.506 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.907 26.760 38.115 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.215 25.885 36.596 1.00 0.00 H new ATOM 303 N LEU A 20 15.353 24.293 36.224 1.00 0.00 N ATOM 304 CA LEU A 20 15.883 24.407 34.870 1.00 0.00 C ATOM 305 C LEU A 20 14.856 23.913 33.858 1.00 0.00 C ATOM 306 O LEU A 20 15.116 22.979 33.100 1.00 0.00 O ATOM 307 CB LEU A 20 17.173 23.603 34.742 1.00 0.00 C ATOM 308 CG LEU A 20 18.148 24.271 33.777 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.540 23.660 33.915 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.650 24.149 32.340 1.00 0.00 C ATOM 0 H LEU A 20 14.804 23.450 36.393 1.00 0.00 H new ATOM 0 HA LEU A 20 16.099 25.456 34.666 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.640 23.501 35.722 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.944 22.596 34.392 1.00 0.00 H new ATOM 0 HG LEU A 20 18.210 25.330 34.030 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.222 24.148 33.219 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.899 23.800 34.934 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.494 22.595 33.690 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.359 24.631 31.667 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.557 23.096 32.075 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.677 24.633 32.250 1.00 0.00 H new ATOM 322 N VAL A 21 13.687 24.547 33.853 1.00 0.00 N ATOM 323 CA VAL A 21 12.616 24.173 32.935 1.00 0.00 C ATOM 324 C VAL A 21 13.108 24.225 31.495 1.00 0.00 C ATOM 325 O VAL A 21 13.472 25.286 30.989 1.00 0.00 O ATOM 326 CB VAL A 21 11.424 25.111 33.110 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.242 24.634 32.269 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.030 25.209 34.582 1.00 0.00 C ATOM 0 H VAL A 21 13.457 25.322 34.475 1.00 0.00 H new ATOM 0 HA VAL A 21 12.305 23.154 33.163 1.00 0.00 H new ATOM 0 HB VAL A 21 11.713 26.104 32.766 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.401 25.314 32.405 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.527 24.616 31.217 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.953 23.631 32.583 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.179 25.882 34.687 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.759 24.220 34.953 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.871 25.595 35.159 1.00 0.00 H new ATOM 338 N LYS A 22 13.115 23.070 30.840 1.00 0.00 N ATOM 339 CA LYS A 22 13.561 22.974 29.454 1.00 0.00 C ATOM 340 C LYS A 22 13.189 21.615 28.876 1.00 0.00 C ATOM 341 O LYS A 22 12.896 20.675 29.614 1.00 0.00 O ATOM 342 CB LYS A 22 15.072 23.175 29.377 1.00 0.00 C ATOM 343 CG LYS A 22 15.423 24.486 28.678 1.00 0.00 C ATOM 344 CD LYS A 22 16.651 24.324 27.788 1.00 0.00 C ATOM 345 CE LYS A 22 17.247 25.678 27.415 1.00 0.00 C ATOM 346 NZ LYS A 22 18.288 26.102 28.394 1.00 0.00 N ATOM 0 H LYS A 22 12.816 22.184 31.247 1.00 0.00 H new ATOM 0 HA LYS A 22 13.068 23.752 28.872 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.493 23.173 30.382 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.525 22.342 28.840 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.577 24.819 28.077 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.610 25.260 29.423 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.400 23.724 28.304 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.378 23.783 26.882 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.684 25.623 26.418 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.456 26.427 27.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.674 27.026 28.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.864 26.178 29.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.054 25.399 28.413 1.00 0.00 H new ATOM 360 N TYR A 23 13.202 21.517 27.551 1.00 0.00 N ATOM 361 CA TYR A 23 12.864 20.268 26.871 1.00 0.00 C ATOM 362 C TYR A 23 13.789 20.057 25.681 1.00 0.00 C ATOM 363 O TYR A 23 14.563 19.101 25.644 1.00 0.00 O ATOM 364 CB TYR A 23 11.404 20.272 26.393 1.00 0.00 C ATOM 365 CG TYR A 23 10.558 21.368 26.993 1.00 0.00 C ATOM 366 CD1 TYR A 23 10.551 22.627 26.422 1.00 0.00 C ATOM 367 CD2 TYR A 23 9.788 21.114 28.113 1.00 0.00 C ATOM 368 CE1 TYR A 23 9.774 23.632 26.970 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.011 22.119 28.661 1.00 0.00 C ATOM 370 CZ TYR A 23 9.007 23.374 28.087 1.00 0.00 C ATOM 371 OH TYR A 23 8.234 24.373 28.633 1.00 0.00 O ATOM 0 H TYR A 23 13.443 22.286 26.925 1.00 0.00 H new ATOM 0 HA TYR A 23 12.990 19.453 27.583 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.389 20.371 25.308 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.953 19.309 26.632 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.153 22.826 25.547 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.793 20.131 28.560 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.768 24.616 26.524 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.409 21.922 29.536 1.00 0.00 H new ATOM 0 HH TYR A 23 7.681 24.003 29.352 1.00 0.00 H new ATOM 381 N GLU A 24 13.703 20.959 24.709 1.00 0.00 N ATOM 382 CA GLU A 24 14.532 20.877 23.512 1.00 0.00 C ATOM 383 C GLU A 24 14.816 22.271 22.969 1.00 0.00 C ATOM 384 O GLU A 24 15.958 22.603 22.652 1.00 0.00 O ATOM 385 CB GLU A 24 13.829 20.037 22.450 1.00 0.00 C ATOM 386 CG GLU A 24 13.308 18.730 23.039 1.00 0.00 C ATOM 387 CD GLU A 24 12.727 17.850 21.941 1.00 0.00 C ATOM 388 OE1 GLU A 24 13.487 17.050 21.355 1.00 0.00 O ATOM 389 OE2 GLU A 24 11.513 17.960 21.668 1.00 0.00 O ATOM 0 H GLU A 24 13.067 21.756 24.727 1.00 0.00 H new ATOM 0 HA GLU A 24 15.479 20.404 23.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.001 20.603 22.024 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.521 19.822 21.635 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.117 18.204 23.546 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.545 18.940 23.788 1.00 0.00 H new ATOM 396 N GLY A 25 13.771 23.086 22.865 1.00 0.00 N ATOM 397 CA GLY A 25 13.908 24.447 22.360 1.00 0.00 C ATOM 398 C GLY A 25 12.542 25.077 22.118 1.00 0.00 C ATOM 399 O GLY A 25 12.107 25.216 20.975 1.00 0.00 O ATOM 0 H GLY A 25 12.819 22.827 23.124 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.469 25.049 23.074 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.479 24.439 21.432 1.00 0.00 H new ATOM 403 N ASP A 26 11.870 25.459 23.200 1.00 0.00 N ATOM 404 CA ASP A 26 10.552 26.080 23.104 1.00 0.00 C ATOM 405 C ASP A 26 10.621 27.533 23.555 1.00 0.00 C ATOM 406 O ASP A 26 11.706 28.088 23.727 1.00 0.00 O ATOM 407 CB ASP A 26 9.549 25.315 23.963 1.00 0.00 C ATOM 408 CG ASP A 26 8.275 25.051 23.173 1.00 0.00 C ATOM 409 OD1 ASP A 26 7.379 25.921 23.179 1.00 0.00 O ATOM 410 OD2 ASP A 26 8.174 23.974 22.548 1.00 0.00 O ATOM 0 H ASP A 26 12.216 25.350 24.153 1.00 0.00 H new ATOM 0 HA ASP A 26 10.225 26.049 22.065 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.985 24.371 24.290 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.317 25.887 24.861 1.00 0.00 H new ATOM 415 N THR A 27 9.457 28.149 23.748 1.00 0.00 N ATOM 416 CA THR A 27 9.391 29.539 24.180 1.00 0.00 C ATOM 417 C THR A 27 8.800 29.624 25.582 1.00 0.00 C ATOM 418 O THR A 27 7.836 28.930 25.903 1.00 0.00 O ATOM 419 CB THR A 27 8.545 30.345 23.202 1.00 0.00 C ATOM 420 OG1 THR A 27 8.686 29.819 21.892 1.00 0.00 O ATOM 421 CG2 THR A 27 8.950 31.817 23.220 1.00 0.00 C ATOM 0 H THR A 27 8.548 27.706 23.612 1.00 0.00 H new ATOM 0 HA THR A 27 10.399 29.954 24.201 1.00 0.00 H new ATOM 0 HB THR A 27 7.501 30.272 23.508 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.138 30.341 21.269 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.333 32.373 22.514 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.808 32.221 24.222 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.998 31.909 22.936 1.00 0.00 H new ATOM 429 N MET A 28 9.390 30.473 26.416 1.00 0.00 N ATOM 430 CA MET A 28 8.930 30.644 27.791 1.00 0.00 C ATOM 431 C MET A 28 8.100 31.910 27.931 1.00 0.00 C ATOM 432 O MET A 28 8.519 32.988 27.511 1.00 0.00 O ATOM 433 CB MET A 28 10.127 30.724 28.723 1.00 0.00 C ATOM 434 CG MET A 28 10.955 29.443 28.676 1.00 0.00 C ATOM 435 SD MET A 28 12.679 29.725 29.113 1.00 0.00 S ATOM 436 CE MET A 28 13.507 28.645 27.935 1.00 0.00 C ATOM 0 H MET A 28 10.189 31.055 26.164 1.00 0.00 H new ATOM 0 HA MET A 28 8.309 29.788 28.054 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.751 31.573 28.444 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.785 30.901 29.743 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.525 28.710 29.359 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.902 29.016 27.675 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.586 28.708 28.079 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.180 27.617 28.091 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.258 28.955 26.920 1.00 0.00 H new ATOM 446 N ALA A 29 6.923 31.774 28.528 1.00 0.00 N ATOM 447 CA ALA A 29 6.030 32.908 28.730 1.00 0.00 C ATOM 448 C ALA A 29 5.906 33.223 30.214 1.00 0.00 C ATOM 449 O ALA A 29 6.198 34.337 30.650 1.00 0.00 O ATOM 450 CB ALA A 29 4.657 32.592 28.149 1.00 0.00 C ATOM 0 H ALA A 29 6.564 30.887 28.882 1.00 0.00 H new ATOM 0 HA ALA A 29 6.443 33.779 28.221 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.993 33.442 28.302 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.751 32.392 27.082 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.244 31.715 28.647 1.00 0.00 H new ATOM 456 N GLU A 30 5.473 32.233 30.987 1.00 0.00 N ATOM 457 CA GLU A 30 5.311 32.396 32.427 1.00 0.00 C ATOM 458 C GLU A 30 5.461 31.052 33.128 1.00 0.00 C ATOM 459 O GLU A 30 5.413 30.000 32.490 1.00 0.00 O ATOM 460 CB GLU A 30 3.942 32.996 32.736 1.00 0.00 C ATOM 461 CG GLU A 30 3.967 33.787 34.041 1.00 0.00 C ATOM 462 CD GLU A 30 3.400 35.183 33.822 1.00 0.00 C ATOM 463 OE1 GLU A 30 4.043 35.983 33.110 1.00 0.00 O ATOM 464 OE2 GLU A 30 2.312 35.476 34.362 1.00 0.00 O ATOM 0 H GLU A 30 5.227 31.306 30.639 1.00 0.00 H new ATOM 0 HA GLU A 30 6.084 33.072 32.792 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.635 33.648 31.918 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.200 32.200 32.804 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.386 33.266 34.802 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.989 33.856 34.413 1.00 0.00 H new ATOM 471 N VAL A 31 5.640 31.092 34.444 1.00 0.00 N ATOM 472 CA VAL A 31 5.798 29.877 35.236 1.00 0.00 C ATOM 473 C VAL A 31 5.321 30.120 36.659 1.00 0.00 C ATOM 474 O VAL A 31 5.555 31.187 37.227 1.00 0.00 O ATOM 475 CB VAL A 31 7.263 29.438 35.249 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.384 27.995 35.730 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.888 29.590 33.866 1.00 0.00 C ATOM 0 H VAL A 31 5.679 31.955 34.986 1.00 0.00 H new ATOM 0 HA VAL A 31 5.198 29.086 34.786 1.00 0.00 H new ATOM 0 HB VAL A 31 7.804 30.083 35.941 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.433 27.699 35.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.981 27.913 36.739 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.824 27.341 35.062 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.930 29.272 33.901 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.344 28.973 33.151 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.838 30.634 33.557 1.00 0.00 H new ATOM 487 N GLU A 32 4.645 29.132 37.232 1.00 0.00 N ATOM 488 CA GLU A 32 4.134 29.252 38.586 1.00 0.00 C ATOM 489 C GLU A 32 4.371 27.962 39.365 1.00 0.00 C ATOM 490 O GLU A 32 4.178 26.864 38.845 1.00 0.00 O ATOM 491 CB GLU A 32 2.648 29.607 38.540 1.00 0.00 C ATOM 492 CG GLU A 32 1.772 28.401 38.212 1.00 0.00 C ATOM 493 CD GLU A 32 0.675 28.794 37.231 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.990 29.456 36.220 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.497 28.440 37.477 1.00 0.00 O ATOM 0 H GLU A 32 4.440 28.242 36.779 1.00 0.00 H new ATOM 0 HA GLU A 32 4.667 30.050 39.104 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.346 30.021 39.502 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.486 30.384 37.793 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.382 27.605 37.785 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.328 28.007 39.126 1.00 0.00 H new ATOM 502 N LEU A 33 4.798 28.108 40.614 1.00 0.00 N ATOM 503 CA LEU A 33 5.072 26.959 41.472 1.00 0.00 C ATOM 504 C LEU A 33 3.844 26.604 42.300 1.00 0.00 C ATOM 505 O LEU A 33 2.795 27.238 42.182 1.00 0.00 O ATOM 506 CB LEU A 33 6.244 27.273 42.399 1.00 0.00 C ATOM 507 CG LEU A 33 7.462 26.412 42.073 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.662 26.845 42.910 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.155 24.935 42.303 1.00 0.00 C ATOM 0 H LEU A 33 4.963 29.012 41.057 1.00 0.00 H new ATOM 0 HA LEU A 33 5.326 26.107 40.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.508 28.327 42.310 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.946 27.106 43.434 1.00 0.00 H new ATOM 0 HG LEU A 33 7.707 26.551 41.020 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.521 26.221 42.665 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.898 27.887 42.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.425 26.737 43.968 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.036 24.339 42.065 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.882 24.778 43.347 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.327 24.631 41.662 1.00 0.00 H new ATOM 521 N ARG A 34 3.987 25.588 43.144 1.00 0.00 N ATOM 522 CA ARG A 34 2.900 25.140 44.007 1.00 0.00 C ATOM 523 C ARG A 34 3.464 24.389 45.205 1.00 0.00 C ATOM 524 O ARG A 34 4.498 23.728 45.103 1.00 0.00 O ATOM 525 CB ARG A 34 1.945 24.239 43.231 1.00 0.00 C ATOM 526 CG ARG A 34 0.496 24.683 43.414 1.00 0.00 C ATOM 527 CD ARG A 34 -0.469 23.510 43.268 1.00 0.00 C ATOM 528 NE ARG A 34 -1.802 23.894 43.719 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.840 23.069 43.621 1.00 0.00 C ATOM 530 NH1 ARG A 34 -2.645 21.776 43.397 1.00 0.00 N ATOM 531 NH2 ARG A 34 -4.074 23.536 43.750 1.00 0.00 N ATOM 0 H ARG A 34 4.851 25.056 43.249 1.00 0.00 H new ATOM 0 HA ARG A 34 2.350 26.013 44.359 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.203 24.258 42.172 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.058 23.209 43.568 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.374 25.136 44.398 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.253 25.450 42.678 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.508 23.189 42.227 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.111 22.661 43.850 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.942 24.821 44.121 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.697 21.413 43.300 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.443 21.145 43.322 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.228 24.529 43.925 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.870 22.902 43.675 1.00 0.00 H new ATOM 545 N GLU A 35 2.783 24.494 46.340 1.00 0.00 N ATOM 546 CA GLU A 35 3.218 23.827 47.561 1.00 0.00 C ATOM 547 C GLU A 35 2.223 22.746 47.977 1.00 0.00 C ATOM 548 O GLU A 35 2.532 21.902 48.818 1.00 0.00 O ATOM 549 CB GLU A 35 3.371 24.853 48.680 1.00 0.00 C ATOM 550 CG GLU A 35 4.733 25.538 48.613 1.00 0.00 C ATOM 551 CD GLU A 35 4.638 26.818 47.794 1.00 0.00 C ATOM 552 OE1 GLU A 35 4.717 26.737 46.550 1.00 0.00 O ATOM 553 OE2 GLU A 35 4.485 27.901 48.397 1.00 0.00 O ATOM 0 H GLU A 35 1.925 25.036 46.440 1.00 0.00 H new ATOM 0 HA GLU A 35 4.179 23.350 47.371 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.581 25.600 48.604 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.254 24.362 49.646 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.083 25.767 49.620 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.465 24.865 48.166 1.00 0.00 H new ATOM 560 N HIS A 36 1.029 22.772 47.388 1.00 0.00 N ATOM 561 CA HIS A 36 -0.004 21.792 47.703 1.00 0.00 C ATOM 562 C HIS A 36 -0.544 22.026 49.108 1.00 0.00 C ATOM 563 O HIS A 36 0.203 21.987 50.086 1.00 0.00 O ATOM 564 CB HIS A 36 0.561 20.378 47.591 1.00 0.00 C ATOM 565 CG HIS A 36 -0.354 19.447 46.860 1.00 0.00 C ATOM 566 ND1 HIS A 36 -1.705 19.651 46.751 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.121 18.289 46.189 1.00 0.00 C ATOM 568 CE1 HIS A 36 -2.274 18.690 46.061 1.00 0.00 C ATOM 569 NE2 HIS A 36 -1.332 17.834 45.699 1.00 0.00 N ATOM 0 H HIS A 36 0.754 23.463 46.689 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.820 21.905 46.989 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.522 20.415 47.077 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.749 19.986 48.591 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.838 17.809 46.061 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.326 18.612 45.829 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.474 16.985 45.153 1.00 0.00 H new ATOM 577 N GLY A 37 -1.846 22.273 49.201 1.00 0.00 N ATOM 578 CA GLY A 37 -2.491 22.520 50.485 1.00 0.00 C ATOM 579 C GLY A 37 -3.091 23.918 50.519 1.00 0.00 C ATOM 580 O GLY A 37 -4.229 24.107 50.951 1.00 0.00 O ATOM 0 H GLY A 37 -2.477 22.307 48.400 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.272 21.778 50.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.765 22.410 51.291 1.00 0.00 H new ATOM 584 N SER A 38 -2.320 24.896 50.057 1.00 0.00 N ATOM 585 CA SER A 38 -2.774 26.282 50.028 1.00 0.00 C ATOM 586 C SER A 38 -3.976 26.426 49.101 1.00 0.00 C ATOM 587 O SER A 38 -4.791 27.334 49.263 1.00 0.00 O ATOM 588 CB SER A 38 -1.640 27.190 49.558 1.00 0.00 C ATOM 589 OG SER A 38 -2.124 28.499 49.300 1.00 0.00 O ATOM 0 H SER A 38 -1.376 24.755 49.697 1.00 0.00 H new ATOM 0 HA SER A 38 -3.072 26.575 51.035 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.859 27.228 50.317 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.188 26.779 48.655 1.00 0.00 H new ATOM 0 HG SER A 38 -1.384 29.068 49.001 1.00 0.00 H new ATOM 595 N ASP A 39 -4.083 25.522 48.130 1.00 0.00 N ATOM 596 CA ASP A 39 -5.187 25.544 47.175 1.00 0.00 C ATOM 597 C ASP A 39 -5.048 26.729 46.230 1.00 0.00 C ATOM 598 O ASP A 39 -6.042 27.259 45.733 1.00 0.00 O ATOM 599 CB ASP A 39 -6.519 25.623 47.917 1.00 0.00 C ATOM 600 CG ASP A 39 -7.623 24.985 47.085 1.00 0.00 C ATOM 601 OD1 ASP A 39 -7.671 25.239 45.863 1.00 0.00 O ATOM 602 OD2 ASP A 39 -8.439 24.231 47.656 1.00 0.00 O ATOM 0 H ASP A 39 -3.417 24.764 47.984 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.159 24.625 46.590 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.439 25.116 48.878 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.766 26.664 48.126 1.00 0.00 H new ATOM 607 N GLU A 40 -3.809 27.140 45.984 1.00 0.00 N ATOM 608 CA GLU A 40 -3.538 28.264 45.096 1.00 0.00 C ATOM 609 C GLU A 40 -2.145 28.145 44.495 1.00 0.00 C ATOM 610 O GLU A 40 -1.214 27.673 45.148 1.00 0.00 O ATOM 611 CB GLU A 40 -3.658 29.576 45.864 1.00 0.00 C ATOM 612 CG GLU A 40 -4.995 30.255 45.587 1.00 0.00 C ATOM 613 CD GLU A 40 -5.042 31.621 46.259 1.00 0.00 C ATOM 614 OE1 GLU A 40 -4.178 32.468 45.949 1.00 0.00 O ATOM 615 OE2 GLU A 40 -5.943 31.842 47.095 1.00 0.00 O ATOM 0 H GLU A 40 -2.976 26.711 46.387 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.270 28.251 44.289 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.558 29.386 46.933 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.843 30.242 45.581 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.139 30.366 44.512 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.810 29.632 45.955 1.00 0.00 H new ATOM 622 N TRP A 41 -2.007 28.579 43.248 1.00 0.00 N ATOM 623 CA TRP A 41 -0.726 28.527 42.555 1.00 0.00 C ATOM 624 C TRP A 41 0.070 29.795 42.834 1.00 0.00 C ATOM 625 O TRP A 41 -0.501 30.876 42.975 1.00 0.00 O ATOM 626 CB TRP A 41 -0.956 28.371 41.056 1.00 0.00 C ATOM 627 CG TRP A 41 -1.384 26.985 40.681 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.666 26.517 40.595 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.525 25.876 40.343 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.631 25.202 40.227 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.348 24.779 40.064 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.858 25.709 40.248 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.834 23.545 39.702 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.381 24.475 39.886 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.542 23.403 39.615 1.00 0.00 C ATOM 0 H TRP A 41 -2.769 28.972 42.695 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.159 27.670 42.918 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.716 29.082 40.733 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.038 28.621 40.523 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.560 27.093 40.787 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.455 24.616 40.093 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.519 26.537 40.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.490 22.713 39.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.451 24.348 39.815 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.965 22.450 39.334 1.00 0.00 H new ATOM 646 N VAL A 42 1.389 29.661 42.916 1.00 0.00 N ATOM 647 CA VAL A 42 2.253 30.803 43.182 1.00 0.00 C ATOM 648 C VAL A 42 3.188 31.045 42.004 1.00 0.00 C ATOM 649 O VAL A 42 4.131 30.288 41.775 1.00 0.00 O ATOM 650 CB VAL A 42 3.055 30.565 44.461 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.117 30.287 45.633 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.037 29.410 44.281 1.00 0.00 C ATOM 0 H VAL A 42 1.881 28.775 42.802 1.00 0.00 H new ATOM 0 HA VAL A 42 1.634 31.690 43.317 1.00 0.00 H new ATOM 0 HB VAL A 42 3.627 31.468 44.677 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.703 30.120 46.536 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.457 31.142 45.782 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.520 29.401 45.419 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.596 29.260 45.205 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.488 28.500 44.037 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.729 29.644 43.472 1.00 0.00 H new ATOM 662 N ALA A 43 2.918 32.105 41.250 1.00 0.00 N ATOM 663 CA ALA A 43 3.734 32.443 40.091 1.00 0.00 C ATOM 664 C ALA A 43 5.201 32.544 40.493 1.00 0.00 C ATOM 665 O ALA A 43 5.527 33.073 41.556 1.00 0.00 O ATOM 666 CB ALA A 43 3.264 33.763 39.486 1.00 0.00 C ATOM 0 H ALA A 43 2.141 32.744 41.421 1.00 0.00 H new ATOM 0 HA ALA A 43 3.628 31.656 39.345 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.880 34.006 38.621 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.223 33.671 39.176 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.352 34.556 40.229 1.00 0.00 H new ATOM 672 N MET A 44 6.081 32.027 39.642 1.00 0.00 N ATOM 673 CA MET A 44 7.514 32.051 39.910 1.00 0.00 C ATOM 674 C MET A 44 8.036 33.480 39.938 1.00 0.00 C ATOM 675 O MET A 44 7.263 34.437 39.903 1.00 0.00 O ATOM 676 CB MET A 44 8.246 31.257 38.836 1.00 0.00 C ATOM 677 CG MET A 44 8.626 29.871 39.338 1.00 0.00 C ATOM 678 SD MET A 44 10.380 29.736 39.720 1.00 0.00 S ATOM 679 CE MET A 44 10.488 28.016 40.236 1.00 0.00 C ATOM 0 H MET A 44 5.826 31.585 38.759 1.00 0.00 H new ATOM 0 HA MET A 44 7.693 31.601 40.886 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.613 31.166 37.953 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.144 31.795 38.531 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.044 29.638 40.230 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.363 29.130 38.583 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.117 27.941 41.123 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.490 27.642 40.466 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.922 27.421 39.432 1.00 0.00 H new ATOM 689 N THR A 45 9.357 33.614 39.999 1.00 0.00 N ATOM 690 CA THR A 45 9.997 34.924 40.029 1.00 0.00 C ATOM 691 C THR A 45 11.299 34.892 39.239 1.00 0.00 C ATOM 692 O THR A 45 12.335 34.466 39.750 1.00 0.00 O ATOM 693 CB THR A 45 10.275 35.338 41.472 1.00 0.00 C ATOM 694 OG1 THR A 45 9.063 35.376 42.208 1.00 0.00 O ATOM 695 CG2 THR A 45 10.961 36.700 41.522 1.00 0.00 C ATOM 0 H THR A 45 10.007 32.828 40.029 1.00 0.00 H new ATOM 0 HA THR A 45 9.326 35.652 39.573 1.00 0.00 H new ATOM 0 HB THR A 45 10.942 34.601 41.919 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.250 35.641 43.133 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.149 36.975 42.560 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.907 36.651 40.982 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.318 37.449 41.060 1.00 0.00 H new ATOM 703 N LYS A 46 11.237 35.342 37.990 1.00 0.00 N ATOM 704 CA LYS A 46 12.411 35.365 37.121 1.00 0.00 C ATOM 705 C LYS A 46 13.492 36.260 37.714 1.00 0.00 C ATOM 706 O LYS A 46 13.645 37.413 37.311 1.00 0.00 O ATOM 707 CB LYS A 46 12.022 35.871 35.735 1.00 0.00 C ATOM 708 CG LYS A 46 11.196 37.150 35.827 1.00 0.00 C ATOM 709 CD LYS A 46 11.210 37.916 34.507 1.00 0.00 C ATOM 710 CE LYS A 46 12.613 38.411 34.168 1.00 0.00 C ATOM 711 NZ LYS A 46 12.570 39.536 33.191 1.00 0.00 N ATOM 0 H LYS A 46 10.385 35.697 37.555 1.00 0.00 H new ATOM 0 HA LYS A 46 12.803 34.351 37.036 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.921 36.057 35.147 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.452 35.104 35.211 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.169 36.903 36.096 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.590 37.784 36.622 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.846 37.272 33.706 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.528 38.764 34.569 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.116 38.737 35.079 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.200 37.591 33.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.539 39.850 32.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.111 39.217 32.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.030 40.327 33.596 1.00 0.00 H new ATOM 725 N GLY A 47 14.241 35.723 38.671 1.00 0.00 N ATOM 726 CA GLY A 47 15.310 36.475 39.320 1.00 0.00 C ATOM 727 C GLY A 47 16.659 35.783 39.143 1.00 0.00 C ATOM 728 O GLY A 47 17.620 36.101 39.843 1.00 0.00 O ATOM 0 H GLY A 47 14.128 34.769 39.015 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.357 37.480 38.902 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.090 36.582 40.382 1.00 0.00 H new ATOM 732 N GLU A 48 16.731 34.836 38.208 1.00 0.00 N ATOM 733 CA GLU A 48 17.967 34.110 37.951 1.00 0.00 C ATOM 734 C GLU A 48 18.589 34.572 36.640 1.00 0.00 C ATOM 735 O GLU A 48 19.811 34.601 36.497 1.00 0.00 O ATOM 736 CB GLU A 48 17.686 32.612 37.895 1.00 0.00 C ATOM 737 CG GLU A 48 18.282 31.896 39.104 1.00 0.00 C ATOM 738 CD GLU A 48 19.797 32.058 39.118 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.366 32.418 38.066 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.411 31.825 40.180 1.00 0.00 O ATOM 0 H GLU A 48 15.947 34.556 37.618 1.00 0.00 H new ATOM 0 HA GLU A 48 18.668 34.312 38.761 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.610 32.442 37.862 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.104 32.194 36.979 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.857 32.302 40.022 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.022 30.838 39.073 1.00 0.00 H new ATOM 747 N GLY A 49 17.739 34.933 35.684 1.00 0.00 N ATOM 748 CA GLY A 49 18.204 35.396 34.380 1.00 0.00 C ATOM 749 C GLY A 49 18.236 34.247 33.382 1.00 0.00 C ATOM 750 O GLY A 49 17.935 34.428 32.202 1.00 0.00 O ATOM 0 H GLY A 49 16.724 34.914 35.787 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.547 36.185 34.013 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.200 35.829 34.476 1.00 0.00 H new ATOM 754 N GLY A 50 18.604 33.064 33.861 1.00 0.00 N ATOM 755 CA GLY A 50 18.679 31.882 33.011 1.00 0.00 C ATOM 756 C GLY A 50 17.587 30.884 33.374 1.00 0.00 C ATOM 757 O GLY A 50 17.169 30.079 32.542 1.00 0.00 O ATOM 0 H GLY A 50 18.855 32.898 34.835 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.578 32.174 31.966 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.657 31.413 33.118 1.00 0.00 H new ATOM 761 N VAL A 51 17.128 30.939 34.621 1.00 0.00 N ATOM 762 CA VAL A 51 16.084 30.035 35.091 1.00 0.00 C ATOM 763 C VAL A 51 15.110 30.769 35.999 1.00 0.00 C ATOM 764 O VAL A 51 15.214 31.981 36.191 1.00 0.00 O ATOM 765 CB VAL A 51 16.708 28.863 35.837 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.446 27.949 34.861 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.652 29.365 36.925 1.00 0.00 C ATOM 0 H VAL A 51 17.462 31.599 35.323 1.00 0.00 H new ATOM 0 HA VAL A 51 15.536 29.659 34.227 1.00 0.00 H new ATOM 0 HB VAL A 51 15.914 28.289 36.314 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.888 27.115 35.407 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.745 27.567 34.119 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.233 28.512 34.360 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.089 28.515 37.448 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.446 29.960 36.472 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.097 29.980 37.633 1.00 0.00 H new ATOM 777 N TRP A 52 14.156 30.028 36.550 1.00 0.00 N ATOM 778 CA TRP A 52 13.149 30.605 37.433 1.00 0.00 C ATOM 779 C TRP A 52 13.385 30.173 38.875 1.00 0.00 C ATOM 780 O TRP A 52 13.765 29.032 39.139 1.00 0.00 O ATOM 781 CB TRP A 52 11.759 30.169 36.982 1.00 0.00 C ATOM 782 CG TRP A 52 11.614 30.152 35.491 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.158 29.116 34.726 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.936 31.222 34.579 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.176 29.498 33.413 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.644 30.770 33.287 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.440 32.515 34.732 1.00 0.00 C ATOM 788 CZ2 TRP A 52 11.837 31.564 32.169 1.00 0.00 C ATOM 789 CZ3 TRP A 52 12.637 33.315 33.615 1.00 0.00 C ATOM 790 CH2 TRP A 52 12.337 32.841 32.344 1.00 0.00 C ATOM 0 H TRP A 52 14.058 29.024 36.400 1.00 0.00 H new ATOM 0 HA TRP A 52 13.223 31.691 37.382 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.550 29.174 37.375 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.015 30.843 37.408 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.836 28.154 35.097 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.879 28.910 32.634 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.676 32.892 35.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.602 31.194 31.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.027 34.315 33.735 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.496 33.476 31.485 1.00 0.00 H new ATOM 801 N THR A 53 13.149 31.093 39.805 1.00 0.00 N ATOM 802 CA THR A 53 13.326 30.816 41.227 1.00 0.00 C ATOM 803 C THR A 53 12.084 31.244 41.999 1.00 0.00 C ATOM 804 O THR A 53 11.382 32.170 41.594 1.00 0.00 O ATOM 805 CB THR A 53 14.548 31.562 41.756 1.00 0.00 C ATOM 806 OG1 THR A 53 14.765 32.740 40.995 1.00 0.00 O ATOM 807 CG2 THR A 53 15.789 30.676 41.713 1.00 0.00 C ATOM 0 H THR A 53 12.833 32.041 39.598 1.00 0.00 H new ATOM 0 HA THR A 53 13.478 29.745 41.362 1.00 0.00 H new ATOM 0 HB THR A 53 14.359 31.835 42.794 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.550 33.214 41.342 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.646 31.231 42.095 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.626 29.791 42.328 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.983 30.372 40.685 1.00 0.00 H new ATOM 815 N PHE A 54 11.813 30.567 43.109 1.00 0.00 N ATOM 816 CA PHE A 54 10.647 30.885 43.929 1.00 0.00 C ATOM 817 C PHE A 54 11.011 30.891 45.408 1.00 0.00 C ATOM 818 O PHE A 54 11.949 30.214 45.831 1.00 0.00 O ATOM 819 CB PHE A 54 9.537 29.869 43.674 1.00 0.00 C ATOM 820 CG PHE A 54 8.317 30.106 44.528 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.559 31.253 44.354 1.00 0.00 C ATOM 822 CD2 PHE A 54 7.951 29.176 45.487 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.439 31.470 45.139 1.00 0.00 C ATOM 824 CE2 PHE A 54 6.830 29.393 46.272 1.00 0.00 C ATOM 825 CZ PHE A 54 6.074 30.539 46.097 1.00 0.00 C ATOM 0 H PHE A 54 12.382 29.797 43.462 1.00 0.00 H new ATOM 0 HA PHE A 54 10.296 31.880 43.655 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.251 29.907 42.623 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.919 28.866 43.865 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.842 31.978 43.606 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.540 28.281 45.623 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.850 32.365 45.004 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.546 28.668 47.020 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.199 30.707 46.708 1.00 0.00 H new ATOM 835 N ASP A 55 10.259 31.658 46.191 1.00 0.00 N ATOM 836 CA ASP A 55 10.494 31.755 47.628 1.00 0.00 C ATOM 837 C ASP A 55 9.587 30.787 48.376 1.00 0.00 C ATOM 838 O ASP A 55 8.427 31.094 48.650 1.00 0.00 O ATOM 839 CB ASP A 55 10.236 33.182 48.103 1.00 0.00 C ATOM 840 CG ASP A 55 11.478 33.743 48.784 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.594 33.506 48.276 1.00 0.00 O ATOM 842 OD2 ASP A 55 11.332 34.417 49.825 1.00 0.00 O ATOM 0 H ASP A 55 9.480 32.223 45.854 1.00 0.00 H new ATOM 0 HA ASP A 55 11.532 31.494 47.832 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.961 33.811 47.256 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.395 33.196 48.796 1.00 0.00 H new ATOM 847 N SER A 56 10.122 29.615 48.701 1.00 0.00 N ATOM 848 CA SER A 56 9.361 28.596 49.416 1.00 0.00 C ATOM 849 C SER A 56 8.702 29.191 50.655 1.00 0.00 C ATOM 850 O SER A 56 9.378 29.723 51.534 1.00 0.00 O ATOM 851 CB SER A 56 10.282 27.448 49.819 1.00 0.00 C ATOM 852 OG SER A 56 11.062 27.810 50.948 1.00 0.00 O ATOM 0 H SER A 56 11.081 29.347 48.480 1.00 0.00 H new ATOM 0 HA SER A 56 8.581 28.217 48.755 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.690 26.562 50.048 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.935 27.189 48.986 1.00 0.00 H new ATOM 0 HG SER A 56 10.833 28.722 51.225 1.00 0.00 H new ATOM 858 N GLU A 57 7.378 29.092 50.720 1.00 0.00 N ATOM 859 CA GLU A 57 6.624 29.615 51.855 1.00 0.00 C ATOM 860 C GLU A 57 6.673 28.629 53.015 1.00 0.00 C ATOM 861 O GLU A 57 6.558 29.016 54.178 1.00 0.00 O ATOM 862 CB GLU A 57 5.175 29.870 51.449 1.00 0.00 C ATOM 863 CG GLU A 57 4.653 31.172 52.051 1.00 0.00 C ATOM 864 CD GLU A 57 3.213 31.414 51.618 1.00 0.00 C ATOM 865 OE1 GLU A 57 2.798 30.847 50.585 1.00 0.00 O ATOM 866 OE2 GLU A 57 2.502 32.171 52.313 1.00 0.00 O ATOM 0 H GLU A 57 6.804 28.654 49.999 1.00 0.00 H new ATOM 0 HA GLU A 57 7.074 30.556 52.172 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.102 29.914 50.362 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.551 29.039 51.777 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.710 31.126 53.139 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.280 32.005 51.733 1.00 0.00 H new ATOM 873 N GLU A 58 6.845 27.352 52.690 1.00 0.00 N ATOM 874 CA GLU A 58 6.913 26.303 53.700 1.00 0.00 C ATOM 875 C GLU A 58 8.270 25.610 53.648 1.00 0.00 C ATOM 876 O GLU A 58 8.848 25.442 52.574 1.00 0.00 O ATOM 877 CB GLU A 58 5.800 25.287 53.465 1.00 0.00 C ATOM 878 CG GLU A 58 5.998 24.545 52.146 1.00 0.00 C ATOM 879 CD GLU A 58 4.770 23.706 51.822 1.00 0.00 C ATOM 880 OE1 GLU A 58 3.676 24.030 52.331 1.00 0.00 O ATOM 881 OE2 GLU A 58 4.903 22.726 51.060 1.00 0.00 O ATOM 0 H GLU A 58 6.940 27.018 51.731 1.00 0.00 H new ATOM 0 HA GLU A 58 6.786 26.752 54.685 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.777 24.572 54.287 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.836 25.795 53.458 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.181 25.259 51.343 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.878 23.905 52.210 1.00 0.00 H new ATOM 888 N PRO A 59 8.798 25.196 54.811 1.00 0.00 N ATOM 889 CA PRO A 59 10.099 24.515 54.897 1.00 0.00 C ATOM 890 C PRO A 59 10.072 23.136 54.244 1.00 0.00 C ATOM 891 O PRO A 59 11.117 22.572 53.921 1.00 0.00 O ATOM 892 CB PRO A 59 10.346 24.402 56.397 1.00 0.00 C ATOM 893 CG PRO A 59 8.995 24.441 57.013 1.00 0.00 C ATOM 894 CD PRO A 59 8.183 25.351 56.140 1.00 0.00 C ATOM 0 HA PRO A 59 10.882 25.060 54.370 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.865 23.476 56.643 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.968 25.221 56.757 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.555 23.445 57.058 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.041 24.816 58.036 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.131 25.065 56.131 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.229 26.384 56.485 1.00 0.00 H new ATOM 902 N LEU A 60 8.871 22.597 54.053 1.00 0.00 N ATOM 903 CA LEU A 60 8.709 21.284 53.438 1.00 0.00 C ATOM 904 C LEU A 60 9.023 21.352 51.949 1.00 0.00 C ATOM 905 O LEU A 60 8.356 22.061 51.196 1.00 0.00 O ATOM 906 CB LEU A 60 7.282 20.786 53.645 1.00 0.00 C ATOM 907 CG LEU A 60 7.241 19.618 54.625 1.00 0.00 C ATOM 908 CD1 LEU A 60 8.079 18.454 54.105 1.00 0.00 C ATOM 909 CD2 LEU A 60 7.730 20.057 56.002 1.00 0.00 C ATOM 0 H LEU A 60 7.996 23.050 54.316 1.00 0.00 H new ATOM 0 HA LEU A 60 9.404 20.589 53.910 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.661 21.600 54.019 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.860 20.477 52.689 1.00 0.00 H new ATOM 0 HG LEU A 60 6.208 19.283 54.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.038 17.630 54.817 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.685 18.123 53.144 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.113 18.776 53.982 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.694 19.211 56.688 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.755 20.419 55.926 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.091 20.856 56.377 1.00 0.00 H new ATOM 921 N GLN A 61 10.042 20.608 51.529 1.00 0.00 N ATOM 922 CA GLN A 61 10.445 20.580 50.127 1.00 0.00 C ATOM 923 C GLN A 61 9.917 19.321 49.452 1.00 0.00 C ATOM 924 O GLN A 61 10.677 18.560 48.854 1.00 0.00 O ATOM 925 CB GLN A 61 11.966 20.628 50.020 1.00 0.00 C ATOM 926 CG GLN A 61 12.469 22.066 49.937 1.00 0.00 C ATOM 927 CD GLN A 61 13.817 22.195 50.632 1.00 0.00 C ATOM 928 OE1 GLN A 61 14.734 21.412 50.381 1.00 0.00 O ATOM 929 NE2 GLN A 61 13.940 23.185 51.509 1.00 0.00 N ATOM 0 H GLN A 61 10.604 20.016 52.140 1.00 0.00 H new ATOM 0 HA GLN A 61 10.025 21.451 49.624 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.410 20.134 50.885 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.289 20.076 49.137 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.560 22.367 48.893 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.747 22.738 50.401 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.154 23.810 51.686 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.821 23.320 52.006 1.00 0.00 H new ATOM 938 N GLY A 62 8.609 19.108 49.552 1.00 0.00 N ATOM 939 CA GLY A 62 7.974 17.939 48.952 1.00 0.00 C ATOM 940 C GLY A 62 7.904 18.082 47.436 1.00 0.00 C ATOM 941 O GLY A 62 8.822 18.613 46.811 1.00 0.00 O ATOM 0 H GLY A 62 7.967 19.730 50.043 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.535 17.041 49.212 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.970 17.816 49.357 1.00 0.00 H new ATOM 945 N PRO A 63 6.808 17.603 46.822 1.00 0.00 N ATOM 946 CA PRO A 63 6.620 17.676 45.367 1.00 0.00 C ATOM 947 C PRO A 63 6.208 19.071 44.910 1.00 0.00 C ATOM 948 O PRO A 63 5.069 19.491 45.115 1.00 0.00 O ATOM 949 CB PRO A 63 5.511 16.670 45.089 1.00 0.00 C ATOM 950 CG PRO A 63 4.739 16.560 46.365 1.00 0.00 C ATOM 951 CD PRO A 63 5.668 16.952 47.491 1.00 0.00 C ATOM 0 HA PRO A 63 7.542 17.459 44.828 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.872 17.006 44.272 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.922 15.704 44.795 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.866 17.212 46.343 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.373 15.543 46.506 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.179 17.630 48.191 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.988 16.081 48.062 1.00 0.00 H new ATOM 959 N PHE A 64 7.142 19.787 44.291 1.00 0.00 N ATOM 960 CA PHE A 64 6.875 21.136 43.804 1.00 0.00 C ATOM 961 C PHE A 64 6.089 21.091 42.504 1.00 0.00 C ATOM 962 O PHE A 64 6.661 20.914 41.430 1.00 0.00 O ATOM 963 CB PHE A 64 8.181 21.879 43.563 1.00 0.00 C ATOM 964 CG PHE A 64 8.822 22.395 44.824 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.083 23.138 45.730 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.156 22.132 45.070 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.683 23.616 46.882 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.757 22.608 46.221 1.00 0.00 C ATOM 969 CZ PHE A 64 10.021 23.352 47.128 1.00 0.00 C ATOM 0 H PHE A 64 8.090 19.455 44.115 1.00 0.00 H new ATOM 0 HA PHE A 64 6.290 21.656 44.563 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.880 21.214 43.056 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.994 22.717 42.891 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.040 23.344 45.538 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.731 21.553 44.362 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.108 24.195 47.590 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.799 22.400 46.412 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.489 23.726 48.026 1.00 0.00 H new ATOM 979 N ASN A 65 4.782 21.265 42.601 1.00 0.00 N ATOM 980 CA ASN A 65 3.928 21.253 41.417 1.00 0.00 C ATOM 981 C ASN A 65 4.170 22.519 40.607 1.00 0.00 C ATOM 982 O ASN A 65 4.039 23.629 41.121 1.00 0.00 O ATOM 983 CB ASN A 65 2.448 21.159 41.806 1.00 0.00 C ATOM 984 CG ASN A 65 2.258 20.341 43.075 1.00 0.00 C ATOM 985 OD1 ASN A 65 2.869 20.622 44.106 1.00 0.00 O ATOM 986 ND2 ASN A 65 1.411 19.331 43.003 1.00 0.00 N ATOM 0 H ASN A 65 4.288 21.416 43.480 1.00 0.00 H new ATOM 0 HA ASN A 65 4.177 20.377 40.818 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.045 22.161 41.953 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.884 20.705 40.991 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.242 18.748 43.823 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.926 19.134 42.128 1.00 0.00 H new ATOM 993 N PHE A 66 4.535 22.347 39.341 1.00 0.00 N ATOM 994 CA PHE A 66 4.806 23.480 38.463 1.00 0.00 C ATOM 995 C PHE A 66 3.620 23.743 37.547 1.00 0.00 C ATOM 996 O PHE A 66 2.636 23.004 37.563 1.00 0.00 O ATOM 997 CB PHE A 66 6.051 23.203 37.628 1.00 0.00 C ATOM 998 CG PHE A 66 7.294 23.834 38.203 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.444 25.211 38.191 1.00 0.00 C ATOM 1000 CD2 PHE A 66 8.288 23.036 38.745 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.586 25.789 38.720 1.00 0.00 C ATOM 1002 CE2 PHE A 66 9.430 23.614 39.274 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.579 24.990 39.261 1.00 0.00 C ATOM 0 H PHE A 66 4.650 21.435 38.900 1.00 0.00 H new ATOM 0 HA PHE A 66 4.973 24.363 39.079 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.199 22.126 37.551 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.894 23.577 36.616 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.670 25.834 37.769 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.172 21.962 38.755 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.702 26.863 38.711 1.00 0.00 H new ATOM 0 HE2 PHE A 66 10.204 22.991 39.697 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.470 25.441 39.673 1.00 0.00 H new ATOM 1013 N ARG A 67 3.724 24.799 36.746 1.00 0.00 N ATOM 1014 CA ARG A 67 2.661 25.165 35.816 1.00 0.00 C ATOM 1015 C ARG A 67 3.010 26.457 35.091 1.00 0.00 C ATOM 1016 O ARG A 67 2.877 27.548 35.647 1.00 0.00 O ATOM 1017 CB ARG A 67 1.346 25.331 36.568 1.00 0.00 C ATOM 1018 CG ARG A 67 0.427 24.137 36.337 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.033 24.572 36.243 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.437 24.692 34.846 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.332 25.593 34.452 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.011 26.879 34.424 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.547 25.208 34.086 1.00 0.00 N ATOM 0 H ARG A 67 4.535 25.417 36.722 1.00 0.00 H new ATOM 0 HA ARG A 67 2.554 24.369 35.079 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.545 25.440 37.634 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.849 26.245 36.241 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.716 23.625 35.419 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.544 23.422 37.151 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.669 23.847 36.751 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.168 25.527 36.751 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.022 24.068 34.154 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.077 27.178 34.705 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.698 27.570 34.122 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.796 24.219 34.106 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.232 25.901 33.784 1.00 0.00 H new ATOM 1037 N PHE A 68 3.453 26.330 33.846 1.00 0.00 N ATOM 1038 CA PHE A 68 3.818 27.491 33.041 1.00 0.00 C ATOM 1039 C PHE A 68 2.828 27.680 31.903 1.00 0.00 C ATOM 1040 O PHE A 68 1.959 26.839 31.672 1.00 0.00 O ATOM 1041 CB PHE A 68 5.225 27.323 32.474 1.00 0.00 C ATOM 1042 CG PHE A 68 5.520 25.906 32.047 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.780 25.319 31.033 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.529 25.189 32.669 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.049 24.017 30.643 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.797 23.888 32.279 1.00 0.00 C ATOM 1047 CZ PHE A 68 6.058 23.302 31.266 1.00 0.00 C ATOM 0 H PHE A 68 3.568 25.435 33.371 1.00 0.00 H new ATOM 0 HA PHE A 68 3.795 28.372 33.682 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.349 27.988 31.619 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.953 27.630 33.225 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.993 25.877 30.547 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.107 25.645 33.459 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.472 23.560 29.853 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.583 23.330 32.766 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.268 22.287 30.962 1.00 0.00 H new ATOM 1057 N LEU A 69 2.972 28.789 31.191 1.00 0.00 N ATOM 1058 CA LEU A 69 2.098 29.100 30.064 1.00 0.00 C ATOM 1059 C LEU A 69 2.945 29.442 28.848 1.00 0.00 C ATOM 1060 O LEU A 69 2.938 30.581 28.386 1.00 0.00 O ATOM 1061 CB LEU A 69 1.179 30.279 30.402 1.00 0.00 C ATOM 1062 CG LEU A 69 0.813 30.316 31.887 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -0.115 31.492 32.180 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.165 29.002 32.315 1.00 0.00 C ATOM 0 H LEU A 69 3.688 29.492 31.373 1.00 0.00 H new ATOM 0 HA LEU A 69 1.478 28.229 29.849 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.671 31.212 30.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.269 30.211 29.806 1.00 0.00 H new ATOM 0 HG LEU A 69 1.729 30.448 32.463 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.365 31.503 33.241 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.384 32.424 31.915 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.028 31.390 31.593 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.088 29.049 33.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.742 28.837 31.733 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.861 28.181 32.144 1.00 0.00 H new ATOM 1076 N THR A 70 3.683 28.444 28.346 1.00 0.00 N ATOM 1077 CA THR A 70 4.571 28.603 27.182 1.00 0.00 C ATOM 1078 C THR A 70 4.043 29.640 26.194 1.00 0.00 C ATOM 1079 O THR A 70 2.835 29.761 25.993 1.00 0.00 O ATOM 1080 CB THR A 70 4.735 27.261 26.476 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.461 26.689 26.220 1.00 0.00 O ATOM 1082 CG2 THR A 70 5.577 26.306 27.317 1.00 0.00 C ATOM 0 H THR A 70 3.683 27.501 28.735 1.00 0.00 H new ATOM 0 HA THR A 70 5.535 28.956 27.548 1.00 0.00 H new ATOM 0 HB THR A 70 5.249 27.430 25.530 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.928 27.307 25.677 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.681 25.355 26.794 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.564 26.739 27.481 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.089 26.140 28.277 1.00 0.00 H new ATOM 1090 N GLU A 71 4.958 30.390 25.584 1.00 0.00 N ATOM 1091 CA GLU A 71 4.581 31.421 24.622 1.00 0.00 C ATOM 1092 C GLU A 71 4.010 30.784 23.364 1.00 0.00 C ATOM 1093 O GLU A 71 3.147 31.360 22.701 1.00 0.00 O ATOM 1094 CB GLU A 71 5.789 32.288 24.261 1.00 0.00 C ATOM 1095 CG GLU A 71 6.697 32.537 25.466 1.00 0.00 C ATOM 1096 CD GLU A 71 6.898 34.034 25.667 1.00 0.00 C ATOM 1097 OE1 GLU A 71 5.969 34.696 26.174 1.00 0.00 O ATOM 1098 OE2 GLU A 71 7.985 34.541 25.316 1.00 0.00 O ATOM 0 H GLU A 71 5.962 30.303 25.739 1.00 0.00 H new ATOM 0 HA GLU A 71 3.820 32.053 25.079 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.361 31.802 23.471 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.444 33.243 23.864 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.256 32.098 26.361 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.660 32.050 25.313 1.00 0.00 H new ATOM 1105 N LYS A 72 4.496 29.591 23.038 1.00 0.00 N ATOM 1106 CA LYS A 72 4.033 28.873 21.856 1.00 0.00 C ATOM 1107 C LYS A 72 3.918 27.383 22.149 1.00 0.00 C ATOM 1108 O LYS A 72 4.520 26.556 21.463 1.00 0.00 O ATOM 1109 CB LYS A 72 4.996 29.106 20.697 1.00 0.00 C ATOM 1110 CG LYS A 72 4.245 29.254 19.377 1.00 0.00 C ATOM 1111 CD LYS A 72 3.419 28.009 19.069 1.00 0.00 C ATOM 1112 CE LYS A 72 2.804 28.086 17.674 1.00 0.00 C ATOM 1113 NZ LYS A 72 1.370 28.486 17.737 1.00 0.00 N ATOM 0 H LYS A 72 5.211 29.101 23.576 1.00 0.00 H new ATOM 0 HA LYS A 72 3.047 29.249 21.582 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.586 30.003 20.885 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.696 28.273 20.629 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.591 30.125 19.423 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.955 29.431 18.569 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.050 27.123 19.143 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.629 27.900 19.812 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.358 28.804 17.069 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.893 27.118 17.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.979 28.530 16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.839 27.787 18.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.290 29.421 18.186 1.00 0.00 H new ATOM 1127 N GLY A 73 3.140 27.047 23.172 1.00 0.00 N ATOM 1128 CA GLY A 73 2.940 25.655 23.560 1.00 0.00 C ATOM 1129 C GLY A 73 1.523 25.440 24.075 1.00 0.00 C ATOM 1130 O GLY A 73 0.568 25.408 23.299 1.00 0.00 O ATOM 0 H GLY A 73 2.636 27.721 23.749 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.125 25.004 22.706 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.659 25.380 24.332 1.00 0.00 H new ATOM 1134 N MET A 74 1.394 25.293 25.390 1.00 0.00 N ATOM 1135 CA MET A 74 0.092 25.080 26.014 1.00 0.00 C ATOM 1136 C MET A 74 0.243 24.984 27.527 1.00 0.00 C ATOM 1137 O MET A 74 1.348 25.093 28.058 1.00 0.00 O ATOM 1138 CB MET A 74 -0.544 23.803 25.474 1.00 0.00 C ATOM 1139 CG MET A 74 0.404 22.614 25.606 1.00 0.00 C ATOM 1140 SD MET A 74 0.011 21.291 24.450 1.00 0.00 S ATOM 1141 CE MET A 74 -1.484 20.621 25.195 1.00 0.00 C ATOM 0 H MET A 74 2.176 25.317 26.045 1.00 0.00 H new ATOM 0 HA MET A 74 -0.552 25.926 25.777 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.467 23.597 26.015 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.813 23.942 24.427 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.428 22.948 25.437 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.359 22.228 26.624 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.850 19.790 24.592 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.262 20.268 26.202 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.247 21.398 25.243 1.00 0.00 H new ATOM 1151 N LYS A 75 -0.874 24.778 28.217 1.00 0.00 N ATOM 1152 CA LYS A 75 -0.866 24.664 29.673 1.00 0.00 C ATOM 1153 C LYS A 75 -0.692 23.208 30.084 1.00 0.00 C ATOM 1154 O LYS A 75 -0.975 22.297 29.306 1.00 0.00 O ATOM 1155 CB LYS A 75 -2.168 25.215 30.253 1.00 0.00 C ATOM 1156 CG LYS A 75 -2.616 26.480 29.524 1.00 0.00 C ATOM 1157 CD LYS A 75 -1.576 27.589 29.650 1.00 0.00 C ATOM 1158 CE LYS A 75 -1.900 28.758 28.724 1.00 0.00 C ATOM 1159 NZ LYS A 75 -1.007 28.767 27.531 1.00 0.00 N ATOM 0 H LYS A 75 -1.797 24.686 27.792 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.031 25.245 30.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.948 24.457 30.182 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.032 25.433 31.312 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.785 26.255 28.471 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.567 26.821 29.934 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.537 27.939 30.682 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.589 27.194 29.410 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.939 28.693 28.402 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.793 29.696 29.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.251 29.573 26.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.017 28.853 27.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.128 27.881 27.000 1.00 0.00 H new ATOM 1173 N ASN A 76 -0.225 22.991 31.310 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.015 21.637 31.816 1.00 0.00 C ATOM 1175 C ASN A 76 0.412 21.666 33.278 1.00 0.00 C ATOM 1176 O ASN A 76 1.267 22.460 33.669 1.00 0.00 O ATOM 1177 CB ASN A 76 1.051 20.933 30.981 1.00 0.00 C ATOM 1178 CG ASN A 76 0.523 19.602 30.463 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.140 18.861 31.188 1.00 0.00 O ATOM 1180 ND2 ASN A 76 0.817 19.297 29.204 1.00 0.00 N ATOM 0 H ASN A 76 0.015 23.731 31.970 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.955 21.091 31.741 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.344 21.566 30.144 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.944 20.768 31.583 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.490 18.418 28.802 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.370 19.942 28.639 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.182 20.787 34.082 1.00 0.00 N ATOM 1188 CA VAL A 77 0.144 20.702 35.503 1.00 0.00 C ATOM 1189 C VAL A 77 1.210 19.639 35.729 1.00 0.00 C ATOM 1190 O VAL A 77 1.302 18.668 34.977 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.110 20.374 36.312 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.767 20.180 37.788 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.149 21.477 36.149 1.00 0.00 C ATOM 0 H VAL A 77 -0.892 20.123 33.773 1.00 0.00 H new ATOM 0 HA VAL A 77 0.531 21.665 35.836 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.528 19.441 35.933 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.675 19.947 38.345 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.057 19.359 37.892 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.324 21.095 38.182 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.037 21.229 36.731 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.735 22.422 36.502 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.419 21.570 35.097 1.00 0.00 H new ATOM 1203 N PHE A 78 2.025 19.835 36.758 1.00 0.00 N ATOM 1204 CA PHE A 78 3.094 18.906 37.072 1.00 0.00 C ATOM 1205 C PHE A 78 3.085 18.544 38.554 1.00 0.00 C ATOM 1206 O PHE A 78 2.757 19.371 39.405 1.00 0.00 O ATOM 1207 CB PHE A 78 4.420 19.545 36.696 1.00 0.00 C ATOM 1208 CG PHE A 78 4.476 19.943 35.242 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.554 18.970 34.260 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.439 21.281 34.888 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.595 19.335 32.925 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.482 21.646 33.552 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.560 20.672 32.571 1.00 0.00 C ATOM 0 H PHE A 78 1.962 20.634 37.389 1.00 0.00 H new ATOM 0 HA PHE A 78 2.949 17.986 36.505 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.585 20.425 37.317 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.230 18.848 36.910 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.583 17.926 34.535 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.377 22.040 35.653 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.654 18.575 32.159 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.455 22.690 33.276 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.594 20.956 31.530 1.00 0.00 H new ATOM 1223 N ASP A 79 3.452 17.301 38.853 1.00 0.00 N ATOM 1224 CA ASP A 79 3.495 16.819 40.230 1.00 0.00 C ATOM 1225 C ASP A 79 4.727 15.948 40.439 1.00 0.00 C ATOM 1226 O ASP A 79 5.333 15.476 39.477 1.00 0.00 O ATOM 1227 CB ASP A 79 2.234 16.020 40.545 1.00 0.00 C ATOM 1228 CG ASP A 79 1.027 16.946 40.612 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.699 17.571 39.582 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.412 17.044 41.695 1.00 0.00 O ATOM 0 H ASP A 79 3.725 16.607 38.157 1.00 0.00 H new ATOM 0 HA ASP A 79 3.548 17.676 40.902 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.076 15.260 39.780 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.354 15.497 41.494 1.00 0.00 H new ATOM 1235 N ASP A 80 5.101 15.740 41.699 1.00 0.00 N ATOM 1236 CA ASP A 80 6.270 14.927 42.025 1.00 0.00 C ATOM 1237 C ASP A 80 7.478 15.420 41.239 1.00 0.00 C ATOM 1238 O ASP A 80 8.345 14.638 40.848 1.00 0.00 O ATOM 1239 CB ASP A 80 5.997 13.463 41.694 1.00 0.00 C ATOM 1240 CG ASP A 80 6.200 12.594 42.928 1.00 0.00 C ATOM 1241 OD1 ASP A 80 5.298 12.563 43.790 1.00 0.00 O ATOM 1242 OD2 ASP A 80 7.262 11.943 43.029 1.00 0.00 O ATOM 0 H ASP A 80 4.613 16.122 42.509 1.00 0.00 H new ATOM 0 HA ASP A 80 6.478 15.016 43.091 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.977 13.351 41.326 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.662 13.134 40.896 1.00 0.00 H new ATOM 1247 N VAL A 81 7.517 16.727 41.003 1.00 0.00 N ATOM 1248 CA VAL A 81 8.602 17.348 40.253 1.00 0.00 C ATOM 1249 C VAL A 81 9.854 17.525 41.116 1.00 0.00 C ATOM 1250 O VAL A 81 10.883 17.982 40.624 1.00 0.00 O ATOM 1251 CB VAL A 81 8.138 18.702 39.723 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.266 19.417 38.988 1.00 0.00 C ATOM 1253 CG2 VAL A 81 6.930 18.529 38.806 1.00 0.00 C ATOM 0 H VAL A 81 6.803 17.381 41.324 1.00 0.00 H new ATOM 0 HA VAL A 81 8.864 16.693 39.422 1.00 0.00 H new ATOM 0 HB VAL A 81 7.846 19.317 40.574 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.909 20.379 38.621 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.101 19.577 39.670 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.596 18.807 38.147 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.611 19.504 38.436 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.201 17.892 37.964 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.114 18.067 39.362 1.00 0.00 H new ATOM 1263 N VAL A 82 9.769 17.164 42.396 1.00 0.00 N ATOM 1264 CA VAL A 82 10.907 17.289 43.305 1.00 0.00 C ATOM 1265 C VAL A 82 10.730 16.343 44.495 1.00 0.00 C ATOM 1266 O VAL A 82 9.763 16.462 45.248 1.00 0.00 O ATOM 1267 CB VAL A 82 11.033 18.734 43.800 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.121 18.852 44.867 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.334 19.678 42.640 1.00 0.00 C ATOM 0 H VAL A 82 8.926 16.784 42.826 1.00 0.00 H new ATOM 0 HA VAL A 82 11.817 17.021 42.768 1.00 0.00 H new ATOM 0 HB VAL A 82 10.079 19.019 44.244 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.191 19.887 45.202 1.00 0.00 H new ATOM 0 HG12 VAL A 82 11.871 18.212 45.714 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.078 18.541 44.447 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.419 20.698 43.014 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.271 19.385 42.167 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.527 19.626 41.909 1.00 0.00 H new ATOM 1279 N PRO A 83 11.663 15.393 44.686 1.00 0.00 N ATOM 1280 CA PRO A 83 11.597 14.434 45.800 1.00 0.00 C ATOM 1281 C PRO A 83 11.992 15.077 47.124 1.00 0.00 C ATOM 1282 O PRO A 83 12.501 16.198 47.152 1.00 0.00 O ATOM 1283 CB PRO A 83 12.596 13.353 45.416 1.00 0.00 C ATOM 1284 CG PRO A 83 13.574 14.022 44.505 1.00 0.00 C ATOM 1285 CD PRO A 83 12.852 15.173 43.845 1.00 0.00 C ATOM 0 HA PRO A 83 10.587 14.052 45.948 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.094 12.947 46.297 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.101 12.520 44.917 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.439 14.380 45.064 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.946 13.321 43.757 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.479 16.064 43.803 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.574 14.931 42.819 1.00 0.00 H new ATOM 1293 N GLU A 84 11.763 14.361 48.220 1.00 0.00 N ATOM 1294 CA GLU A 84 12.105 14.865 49.546 1.00 0.00 C ATOM 1295 C GLU A 84 13.617 14.993 49.679 1.00 0.00 C ATOM 1296 O GLU A 84 14.346 14.010 49.548 1.00 0.00 O ATOM 1297 CB GLU A 84 11.563 13.925 50.618 1.00 0.00 C ATOM 1298 CG GLU A 84 11.884 14.440 52.018 1.00 0.00 C ATOM 1299 CD GLU A 84 11.343 13.481 53.069 1.00 0.00 C ATOM 1300 OE1 GLU A 84 10.131 13.182 53.035 1.00 0.00 O ATOM 1301 OE2 GLU A 84 12.132 13.028 53.925 1.00 0.00 O ATOM 0 H GLU A 84 11.343 13.432 48.217 1.00 0.00 H new ATOM 0 HA GLU A 84 11.654 15.848 49.679 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.484 13.823 50.504 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.993 12.932 50.486 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.962 14.548 52.135 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.447 15.429 52.158 1.00 0.00 H new ATOM 1308 N LYS A 85 14.083 16.211 49.933 1.00 0.00 N ATOM 1309 CA LYS A 85 15.512 16.470 50.075 1.00 0.00 C ATOM 1310 C LYS A 85 16.214 16.264 48.739 1.00 0.00 C ATOM 1311 O LYS A 85 17.117 15.436 48.618 1.00 0.00 O ATOM 1312 CB LYS A 85 16.108 15.545 51.134 1.00 0.00 C ATOM 1313 CG LYS A 85 16.340 16.286 52.448 1.00 0.00 C ATOM 1314 CD LYS A 85 15.731 15.529 53.625 1.00 0.00 C ATOM 1315 CE LYS A 85 16.227 14.086 53.670 1.00 0.00 C ATOM 1316 NZ LYS A 85 16.298 13.579 55.070 1.00 0.00 N ATOM 0 H LYS A 85 13.492 17.035 50.045 1.00 0.00 H new ATOM 0 HA LYS A 85 15.656 17.503 50.391 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.438 14.702 51.303 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.051 15.135 50.773 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.410 16.416 52.611 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.903 17.283 52.388 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.987 16.033 54.557 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.644 15.540 53.545 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.560 13.452 53.085 1.00 0.00 H new ATOM 0 HE3 LYS A 85 17.212 14.024 53.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.638 12.596 55.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.953 14.170 55.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.352 13.616 55.501 1.00 0.00 H new ATOM 1330 N TYR A 86 15.786 17.022 47.735 1.00 0.00 N ATOM 1331 CA TYR A 86 16.361 16.930 46.396 1.00 0.00 C ATOM 1332 C TYR A 86 17.876 17.080 46.448 1.00 0.00 C ATOM 1333 O TYR A 86 18.468 17.167 47.523 1.00 0.00 O ATOM 1334 CB TYR A 86 15.767 18.015 45.504 1.00 0.00 C ATOM 1335 CG TYR A 86 15.902 19.395 46.097 1.00 0.00 C ATOM 1336 CD1 TYR A 86 17.121 20.052 46.057 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.808 20.005 46.683 1.00 0.00 C ATOM 1338 CE1 TYR A 86 17.242 21.319 46.604 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.931 21.272 47.230 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.146 21.922 47.188 1.00 0.00 C ATOM 1341 OH TYR A 86 16.267 23.181 47.731 1.00 0.00 O ATOM 0 H TYR A 86 15.039 17.711 47.823 1.00 0.00 H new ATOM 0 HA TYR A 86 16.124 15.949 45.984 1.00 0.00 H new ATOM 0 HB2 TYR A 86 16.261 17.992 44.533 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.713 17.800 45.331 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.976 19.577 45.600 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.857 19.494 46.714 1.00 0.00 H new ATOM 0 HE1 TYR A 86 18.191 21.834 46.574 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.077 21.749 47.688 1.00 0.00 H new ATOM 0 HH TYR A 86 17.098 23.594 47.417 1.00 0.00 H new ATOM 1351 N THR A 87 18.495 17.112 45.272 1.00 0.00 N ATOM 1352 CA THR A 87 19.942 17.255 45.165 1.00 0.00 C ATOM 1353 C THR A 87 20.302 17.927 43.847 1.00 0.00 C ATOM 1354 O THR A 87 20.186 17.323 42.780 1.00 0.00 O ATOM 1355 CB THR A 87 20.611 15.886 45.253 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.895 15.053 46.152 1.00 0.00 O ATOM 1357 CG2 THR A 87 22.061 16.020 45.708 1.00 0.00 C ATOM 0 H THR A 87 18.014 17.040 44.376 1.00 0.00 H new ATOM 0 HA THR A 87 20.298 17.875 45.988 1.00 0.00 H new ATOM 0 HB THR A 87 20.602 15.434 44.261 1.00 0.00 H new ATOM 0 HG1 THR A 87 20.329 14.176 46.202 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.518 15.032 45.764 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.611 16.634 44.995 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.092 16.490 46.691 1.00 0.00 H new ATOM 1365 N ILE A 88 20.738 19.182 43.924 1.00 0.00 N ATOM 1366 CA ILE A 88 21.115 19.945 42.734 1.00 0.00 C ATOM 1367 C ILE A 88 22.004 19.110 41.818 1.00 0.00 C ATOM 1368 O ILE A 88 23.068 18.642 42.224 1.00 0.00 O ATOM 1369 CB ILE A 88 21.838 21.225 43.148 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.924 22.096 44.005 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.314 22.002 41.923 1.00 0.00 C ATOM 1372 CD1 ILE A 88 21.339 22.058 45.473 1.00 0.00 C ATOM 0 H ILE A 88 20.840 19.694 44.800 1.00 0.00 H new ATOM 0 HA ILE A 88 20.210 20.207 42.186 1.00 0.00 H new ATOM 0 HB ILE A 88 22.712 20.947 43.736 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.953 23.124 43.643 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.894 21.753 43.907 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.826 22.909 42.244 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.000 21.384 41.344 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.456 22.268 41.305 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.669 22.688 46.057 1.00 0.00 H new ATOM 0 HD12 ILE A 88 21.285 21.033 45.840 1.00 0.00 H new ATOM 0 HD13 ILE A 88 22.360 22.425 45.572 1.00 0.00 H new ATOM 1384 N GLY A 89 21.557 18.925 40.580 1.00 0.00 N ATOM 1385 CA GLY A 89 22.305 18.145 39.601 1.00 0.00 C ATOM 1386 C GLY A 89 21.551 16.873 39.235 1.00 0.00 C ATOM 1387 O GLY A 89 22.158 15.857 38.896 1.00 0.00 O ATOM 0 H GLY A 89 20.678 19.306 40.230 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.475 18.743 38.706 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.285 17.889 40.004 1.00 0.00 H new ATOM 1391 N ALA A 90 20.225 16.933 39.307 1.00 0.00 N ATOM 1392 CA ALA A 90 19.386 15.784 38.984 1.00 0.00 C ATOM 1393 C ALA A 90 18.123 16.234 38.260 1.00 0.00 C ATOM 1394 O ALA A 90 17.807 17.424 38.226 1.00 0.00 O ATOM 1395 CB ALA A 90 19.015 15.036 40.261 1.00 0.00 C ATOM 0 H ALA A 90 19.708 17.766 39.587 1.00 0.00 H new ATOM 0 HA ALA A 90 19.945 15.117 38.328 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.389 14.179 40.012 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.922 14.690 40.757 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.469 15.703 40.928 1.00 0.00 H new ATOM 1401 N THR A 91 17.403 15.278 37.681 1.00 0.00 N ATOM 1402 CA THR A 91 16.173 15.577 36.956 1.00 0.00 C ATOM 1403 C THR A 91 14.970 14.984 37.678 1.00 0.00 C ATOM 1404 O THR A 91 14.892 13.773 37.885 1.00 0.00 O ATOM 1405 CB THR A 91 16.253 15.019 35.538 1.00 0.00 C ATOM 1406 OG1 THR A 91 17.431 15.483 34.899 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.023 15.422 34.729 1.00 0.00 C ATOM 0 H THR A 91 17.651 14.289 37.700 1.00 0.00 H new ATOM 0 HA THR A 91 16.054 16.659 36.909 1.00 0.00 H new ATOM 0 HB THR A 91 16.284 13.931 35.596 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.475 15.119 33.990 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.101 15.014 33.721 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.127 15.031 35.211 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.962 16.509 34.676 1.00 0.00 H new ATOM 1415 N TYR A 92 14.033 15.846 38.059 1.00 0.00 N ATOM 1416 CA TYR A 92 12.828 15.413 38.759 1.00 0.00 C ATOM 1417 C TYR A 92 11.584 15.905 38.029 1.00 0.00 C ATOM 1418 O TYR A 92 11.420 17.103 37.802 1.00 0.00 O ATOM 1419 CB TYR A 92 12.840 15.949 40.187 1.00 0.00 C ATOM 1420 CG TYR A 92 14.093 15.582 40.940 1.00 0.00 C ATOM 1421 CD1 TYR A 92 14.418 14.252 41.142 1.00 0.00 C ATOM 1422 CD2 TYR A 92 14.923 16.577 41.429 1.00 0.00 C ATOM 1423 CE1 TYR A 92 15.571 13.918 41.832 1.00 0.00 C ATOM 1424 CE2 TYR A 92 16.075 16.241 42.119 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.393 14.913 42.318 1.00 0.00 C ATOM 1426 OH TYR A 92 17.539 14.579 43.004 1.00 0.00 O ATOM 0 H TYR A 92 14.085 16.851 37.894 1.00 0.00 H new ATOM 0 HA TYR A 92 12.809 14.323 38.784 1.00 0.00 H new ATOM 0 HB2 TYR A 92 12.741 17.034 40.163 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.973 15.561 40.723 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.772 13.475 40.761 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.671 17.615 41.272 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.826 12.880 41.989 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.723 17.016 42.501 1.00 0.00 H new ATOM 0 HH TYR A 92 18.122 15.364 43.069 1.00 0.00 H new ATOM 1436 N ALA A 93 10.709 14.973 37.662 1.00 0.00 N ATOM 1437 CA ALA A 93 9.478 15.313 36.956 1.00 0.00 C ATOM 1438 C ALA A 93 8.733 14.047 36.543 1.00 0.00 C ATOM 1439 O ALA A 93 9.201 12.936 36.791 1.00 0.00 O ATOM 1440 CB ALA A 93 9.802 16.152 35.723 1.00 0.00 C ATOM 0 H ALA A 93 10.830 13.976 37.842 1.00 0.00 H new ATOM 0 HA ALA A 93 8.840 15.890 37.625 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.879 16.402 35.200 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.306 17.069 36.029 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.453 15.585 35.058 1.00 0.00 H new ATOM 1446 N PRO A 94 7.558 14.201 35.908 1.00 0.00 N ATOM 1447 CA PRO A 94 6.745 13.061 35.462 1.00 0.00 C ATOM 1448 C PRO A 94 7.283 12.440 34.178 1.00 0.00 C ATOM 1449 O PRO A 94 7.690 11.259 34.213 1.00 0.00 O ATOM 1450 CB PRO A 94 5.366 13.663 35.234 1.00 0.00 C ATOM 1451 CG PRO A 94 5.598 15.114 34.955 1.00 0.00 C ATOM 1452 CD PRO A 94 6.925 15.489 35.576 1.00 0.00 C ATOM 0 HA PRO A 94 6.745 12.251 36.192 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.861 13.179 34.398 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.731 13.529 36.110 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.611 15.301 33.881 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.794 15.719 35.374 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.538 16.065 34.883 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.787 16.104 36.466 1.00 0.00 H new TER 1460 PRO A 94