USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 448 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -52:sc= 0.201 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0332 USER MOD Single : A 6 SER OG : rot -44:sc= 0.327 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.2) USER MOD Single : A 15 MET CE :methyl -121:sc= -0.003 (180deg=-0.881) USER MOD Single : A 16 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.603 K(o=-0.6,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 85:sc= 0.674 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 45 THR OG1 : rot 73:sc= 0.107 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.0335 X(o=-0.034,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.02) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -61:sc= 0.559 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00186 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.618 30.158 -1.219 1.00 0.00 N ATOM 2 CA GLY A 1 1.286 29.077 -2.189 1.00 0.00 C ATOM 3 C GLY A 1 0.199 29.488 -3.163 1.00 0.00 C ATOM 4 O GLY A 1 -0.989 29.384 -2.857 1.00 0.00 O ATOM 0 H1 GLY A 1 2.365 29.829 -0.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.950 30.998 -1.735 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.770 30.403 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.183 28.803 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.965 28.189 -1.644 1.00 0.00 H new ATOM 10 N SER A 2 0.607 29.955 -4.338 1.00 0.00 N ATOM 11 CA SER A 2 -0.341 30.382 -5.360 1.00 0.00 C ATOM 12 C SER A 2 0.219 30.136 -6.758 1.00 0.00 C ATOM 13 O SER A 2 -0.007 30.926 -7.675 1.00 0.00 O ATOM 14 CB SER A 2 -0.678 31.864 -5.187 1.00 0.00 C ATOM 15 OG SER A 2 -1.834 32.216 -5.926 1.00 0.00 O ATOM 0 H SER A 2 1.587 30.047 -4.606 1.00 0.00 H new ATOM 0 HA SER A 2 -1.251 29.794 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.838 32.083 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.165 32.472 -5.514 1.00 0.00 H new ATOM 0 HG SER A 2 -1.732 31.919 -6.854 1.00 0.00 H new ATOM 21 N SER A 3 0.950 29.038 -6.912 1.00 0.00 N ATOM 22 CA SER A 3 1.542 28.688 -8.198 1.00 0.00 C ATOM 23 C SER A 3 2.512 29.770 -8.663 1.00 0.00 C ATOM 24 O SER A 3 2.110 30.751 -9.287 1.00 0.00 O ATOM 25 CB SER A 3 0.448 28.483 -9.249 1.00 0.00 C ATOM 26 OG SER A 3 -0.482 27.499 -8.832 1.00 0.00 O ATOM 0 H SER A 3 1.147 28.375 -6.163 1.00 0.00 H new ATOM 0 HA SER A 3 2.095 27.757 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.070 29.425 -9.427 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.900 28.183 -10.195 1.00 0.00 H new ATOM 0 HG SER A 3 -1.171 27.388 -9.520 1.00 0.00 H new ATOM 32 N GLY A 4 3.791 29.582 -8.354 1.00 0.00 N ATOM 33 CA GLY A 4 4.798 30.550 -8.748 1.00 0.00 C ATOM 34 C GLY A 4 5.536 30.139 -10.006 1.00 0.00 C ATOM 35 O GLY A 4 6.766 30.112 -10.033 1.00 0.00 O ATOM 0 H GLY A 4 4.148 28.778 -7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.324 31.518 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.514 30.676 -7.936 1.00 0.00 H new ATOM 39 N SER A 5 4.783 29.815 -11.052 1.00 0.00 N ATOM 40 CA SER A 5 5.372 29.402 -12.320 1.00 0.00 C ATOM 41 C SER A 5 6.224 28.149 -12.142 1.00 0.00 C ATOM 42 O SER A 5 7.203 27.945 -12.862 1.00 0.00 O ATOM 43 CB SER A 5 6.222 30.532 -12.904 1.00 0.00 C ATOM 44 OG SER A 5 5.750 31.798 -12.478 1.00 0.00 O ATOM 0 H SER A 5 3.763 29.831 -11.046 1.00 0.00 H new ATOM 0 HA SER A 5 4.561 29.173 -13.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.260 30.406 -12.598 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.202 30.481 -13.993 1.00 0.00 H new ATOM 0 HG SER A 5 6.311 32.503 -12.863 1.00 0.00 H new ATOM 50 N SER A 6 5.847 27.314 -11.179 1.00 0.00 N ATOM 51 CA SER A 6 6.577 26.082 -10.906 1.00 0.00 C ATOM 52 C SER A 6 5.748 25.138 -10.042 1.00 0.00 C ATOM 53 O SER A 6 5.558 25.377 -8.849 1.00 0.00 O ATOM 54 CB SER A 6 7.904 26.393 -10.212 1.00 0.00 C ATOM 55 OG SER A 6 8.554 27.496 -10.822 1.00 0.00 O ATOM 0 H SER A 6 5.040 27.469 -10.575 1.00 0.00 H new ATOM 0 HA SER A 6 6.779 25.591 -11.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.725 26.610 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.552 25.518 -10.252 1.00 0.00 H new ATOM 0 HG SER A 6 8.514 27.401 -11.797 1.00 0.00 H new ATOM 61 N GLY A 7 5.256 24.064 -10.652 1.00 0.00 N ATOM 62 CA GLY A 7 4.453 23.100 -9.922 1.00 0.00 C ATOM 63 C GLY A 7 4.350 21.770 -10.640 1.00 0.00 C ATOM 64 O GLY A 7 5.054 21.530 -11.621 1.00 0.00 O ATOM 0 H GLY A 7 5.399 23.844 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.887 22.944 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.453 23.506 -9.770 1.00 0.00 H new ATOM 68 N VAL A 8 3.469 20.901 -10.152 1.00 0.00 N ATOM 69 CA VAL A 8 3.277 19.588 -10.754 1.00 0.00 C ATOM 70 C VAL A 8 1.797 19.299 -10.980 1.00 0.00 C ATOM 71 O VAL A 8 1.112 18.785 -10.095 1.00 0.00 O ATOM 72 CB VAL A 8 3.876 18.473 -9.876 1.00 0.00 C ATOM 73 CG1 VAL A 8 5.395 18.477 -9.970 1.00 0.00 C ATOM 74 CG2 VAL A 8 3.424 18.628 -8.432 1.00 0.00 C ATOM 0 H VAL A 8 2.878 21.084 -9.341 1.00 0.00 H new ATOM 0 HA VAL A 8 3.794 19.602 -11.713 1.00 0.00 H new ATOM 0 HB VAL A 8 3.514 17.513 -10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.800 17.683 -9.343 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.696 18.312 -11.005 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.778 19.439 -9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.857 17.831 -7.828 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.753 19.594 -8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.337 18.570 -8.383 1.00 0.00 H new ATOM 84 N THR A 9 1.308 19.633 -12.170 1.00 0.00 N ATOM 85 CA THR A 9 -0.091 19.410 -12.511 1.00 0.00 C ATOM 86 C THR A 9 -0.232 18.941 -13.956 1.00 0.00 C ATOM 87 O THR A 9 -0.282 19.751 -14.881 1.00 0.00 O ATOM 88 CB THR A 9 -0.900 20.691 -12.300 1.00 0.00 C ATOM 89 OG1 THR A 9 -0.579 21.286 -11.055 1.00 0.00 O ATOM 90 CG2 THR A 9 -2.396 20.466 -12.328 1.00 0.00 C ATOM 0 H THR A 9 1.861 20.059 -12.914 1.00 0.00 H new ATOM 0 HA THR A 9 -0.478 18.630 -11.855 1.00 0.00 H new ATOM 0 HB THR A 9 -0.631 21.343 -13.131 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.105 22.105 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.910 21.415 -12.172 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.684 20.052 -13.294 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.674 19.769 -11.538 1.00 0.00 H new ATOM 98 N TYR A 10 -0.292 17.625 -14.142 1.00 0.00 N ATOM 99 CA TYR A 10 -0.426 17.048 -15.474 1.00 0.00 C ATOM 100 C TYR A 10 -1.202 15.735 -15.423 1.00 0.00 C ATOM 101 O TYR A 10 -0.971 14.834 -16.228 1.00 0.00 O ATOM 102 CB TYR A 10 0.954 16.815 -16.093 1.00 0.00 C ATOM 103 CG TYR A 10 1.014 17.123 -17.572 1.00 0.00 C ATOM 104 CD1 TYR A 10 0.599 18.355 -18.061 1.00 0.00 C ATOM 105 CD2 TYR A 10 1.486 16.182 -18.478 1.00 0.00 C ATOM 106 CE1 TYR A 10 0.652 18.641 -19.412 1.00 0.00 C ATOM 107 CE2 TYR A 10 1.542 16.461 -19.831 1.00 0.00 C ATOM 108 CZ TYR A 10 1.124 17.691 -20.292 1.00 0.00 C ATOM 109 OH TYR A 10 1.179 17.971 -21.638 1.00 0.00 O ATOM 0 H TYR A 10 -0.250 16.940 -13.387 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.980 17.753 -16.094 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.686 17.432 -15.572 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.243 15.776 -15.935 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.229 19.102 -17.374 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.814 15.217 -18.120 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.325 19.604 -19.776 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.911 15.719 -20.523 1.00 0.00 H new ATOM 0 HH TYR A 10 1.537 17.196 -22.119 1.00 0.00 H new ATOM 119 N ASP A 11 -2.122 15.635 -14.469 1.00 0.00 N ATOM 120 CA ASP A 11 -2.932 14.432 -14.311 1.00 0.00 C ATOM 121 C ASP A 11 -2.055 13.217 -14.031 1.00 0.00 C ATOM 122 O ASP A 11 -1.578 12.557 -14.955 1.00 0.00 O ATOM 123 CB ASP A 11 -3.773 14.191 -15.567 1.00 0.00 C ATOM 124 CG ASP A 11 -4.777 13.070 -15.384 1.00 0.00 C ATOM 125 OD1 ASP A 11 -5.562 13.128 -14.415 1.00 0.00 O ATOM 126 OD2 ASP A 11 -4.778 12.134 -16.211 1.00 0.00 O ATOM 0 H ASP A 11 -2.325 16.372 -13.794 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.596 14.580 -13.459 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.300 15.108 -15.829 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.114 13.952 -16.402 1.00 0.00 H new ATOM 131 N ASP A 12 -1.845 12.928 -12.752 1.00 0.00 N ATOM 132 CA ASP A 12 -1.023 11.791 -12.350 1.00 0.00 C ATOM 133 C ASP A 12 -1.536 11.182 -11.049 1.00 0.00 C ATOM 134 O ASP A 12 -0.756 10.695 -10.230 1.00 0.00 O ATOM 135 CB ASP A 12 0.435 12.221 -12.187 1.00 0.00 C ATOM 136 CG ASP A 12 1.408 11.154 -12.649 1.00 0.00 C ATOM 137 OD1 ASP A 12 1.081 10.429 -13.612 1.00 0.00 O ATOM 138 OD2 ASP A 12 2.498 11.044 -12.049 1.00 0.00 O ATOM 0 H ASP A 12 -2.232 13.464 -11.975 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.085 11.035 -13.133 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.607 13.136 -12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.627 12.455 -11.140 1.00 0.00 H new ATOM 143 N VAL A 13 -2.852 11.213 -10.865 1.00 0.00 N ATOM 144 CA VAL A 13 -3.467 10.664 -9.663 1.00 0.00 C ATOM 145 C VAL A 13 -4.794 9.985 -9.987 1.00 0.00 C ATOM 146 O VAL A 13 -5.850 10.617 -9.962 1.00 0.00 O ATOM 147 CB VAL A 13 -3.709 11.757 -8.606 1.00 0.00 C ATOM 148 CG1 VAL A 13 -2.390 12.238 -8.021 1.00 0.00 C ATOM 149 CG2 VAL A 13 -4.489 12.918 -9.207 1.00 0.00 C ATOM 0 H VAL A 13 -3.512 11.612 -11.532 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.772 9.927 -9.260 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.303 11.329 -7.798 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.582 13.010 -7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.874 11.401 -7.551 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.767 12.648 -8.816 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.651 13.681 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.924 13.346 -10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.452 12.560 -9.572 1.00 0.00 H new ATOM 159 N HIS A 14 -4.732 8.693 -10.291 1.00 0.00 N ATOM 160 CA HIS A 14 -5.928 7.927 -10.621 1.00 0.00 C ATOM 161 C HIS A 14 -5.870 6.534 -10.000 1.00 0.00 C ATOM 162 O HIS A 14 -6.297 5.553 -10.609 1.00 0.00 O ATOM 163 CB HIS A 14 -6.087 7.815 -12.138 1.00 0.00 C ATOM 164 CG HIS A 14 -4.818 7.453 -12.848 1.00 0.00 C ATOM 165 ND1 HIS A 14 -3.752 8.318 -12.972 1.00 0.00 N ATOM 166 CD2 HIS A 14 -4.449 6.311 -13.474 1.00 0.00 C ATOM 167 CE1 HIS A 14 -2.781 7.725 -13.643 1.00 0.00 C ATOM 168 NE2 HIS A 14 -3.178 6.506 -13.959 1.00 0.00 N ATOM 0 H HIS A 14 -3.866 8.154 -10.316 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.790 8.453 -10.211 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.845 7.065 -12.361 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.454 8.765 -12.528 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.042 5.414 -13.574 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.825 8.163 -13.891 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.630 5.820 -14.479 1.00 0.00 H new ATOM 176 N MET A 15 -5.340 6.456 -8.784 1.00 0.00 N ATOM 177 CA MET A 15 -5.225 5.185 -8.079 1.00 0.00 C ATOM 178 C MET A 15 -5.487 5.366 -6.587 1.00 0.00 C ATOM 179 O MET A 15 -4.781 4.805 -5.749 1.00 0.00 O ATOM 180 CB MET A 15 -3.837 4.580 -8.301 1.00 0.00 C ATOM 181 CG MET A 15 -3.770 3.631 -9.487 1.00 0.00 C ATOM 182 SD MET A 15 -3.879 1.899 -8.997 1.00 0.00 S ATOM 183 CE MET A 15 -4.381 1.142 -10.540 1.00 0.00 C ATOM 0 H MET A 15 -4.983 7.259 -8.266 1.00 0.00 H new ATOM 0 HA MET A 15 -5.976 4.504 -8.479 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.118 5.386 -8.450 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.535 4.045 -7.401 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.581 3.861 -10.178 1.00 0.00 H new ATOM 0 HG3 MET A 15 -2.837 3.794 -10.026 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.332 0.629 -10.401 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.492 1.912 -11.304 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.624 0.424 -10.856 1.00 0.00 H new ATOM 193 N ASN A 16 -6.507 6.153 -6.262 1.00 0.00 N ATOM 194 CA ASN A 16 -6.863 6.408 -4.871 1.00 0.00 C ATOM 195 C ASN A 16 -8.320 6.043 -4.607 1.00 0.00 C ATOM 196 O ASN A 16 -9.198 6.906 -4.611 1.00 0.00 O ATOM 197 CB ASN A 16 -6.623 7.878 -4.522 1.00 0.00 C ATOM 198 CG ASN A 16 -7.401 8.820 -5.418 1.00 0.00 C ATOM 199 OD1 ASN A 16 -8.404 9.401 -5.006 1.00 0.00 O ATOM 200 ND2 ASN A 16 -6.941 8.975 -6.655 1.00 0.00 N ATOM 0 H ASN A 16 -7.102 6.625 -6.943 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.230 5.784 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.905 8.053 -3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.559 8.099 -4.604 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.424 9.596 -7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.105 8.473 -6.955 1.00 0.00 H new ATOM 207 N PHE A 17 -8.571 4.758 -4.375 1.00 0.00 N ATOM 208 CA PHE A 17 -9.922 4.280 -4.108 1.00 0.00 C ATOM 209 C PHE A 17 -10.202 4.249 -2.610 1.00 0.00 C ATOM 210 O PHE A 17 -9.554 3.517 -1.862 1.00 0.00 O ATOM 211 CB PHE A 17 -10.119 2.884 -4.704 1.00 0.00 C ATOM 212 CG PHE A 17 -9.707 2.783 -6.145 1.00 0.00 C ATOM 213 CD1 PHE A 17 -8.400 2.481 -6.487 1.00 0.00 C ATOM 214 CD2 PHE A 17 -10.630 2.992 -7.158 1.00 0.00 C ATOM 215 CE1 PHE A 17 -8.019 2.387 -7.812 1.00 0.00 C ATOM 216 CE2 PHE A 17 -10.255 2.900 -8.485 1.00 0.00 C ATOM 217 CZ PHE A 17 -8.947 2.597 -8.813 1.00 0.00 C ATOM 0 H PHE A 17 -7.857 4.030 -4.367 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.624 4.970 -4.576 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.546 2.164 -4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.169 2.604 -4.614 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.669 2.317 -5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.653 3.229 -6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.996 2.149 -8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.983 3.065 -9.265 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.651 2.525 -9.849 1.00 0.00 H new ATOM 227 N THR A 18 -11.171 5.048 -2.178 1.00 0.00 N ATOM 228 CA THR A 18 -11.537 5.112 -0.768 1.00 0.00 C ATOM 229 C THR A 18 -12.197 3.813 -0.316 1.00 0.00 C ATOM 230 O THR A 18 -12.329 2.870 -1.096 1.00 0.00 O ATOM 231 CB THR A 18 -12.480 6.291 -0.517 1.00 0.00 C ATOM 232 OG1 THR A 18 -13.763 6.029 -1.057 1.00 0.00 O ATOM 233 CG2 THR A 18 -11.987 7.589 -1.115 1.00 0.00 C ATOM 0 H THR A 18 -11.717 5.660 -2.784 1.00 0.00 H new ATOM 0 HA THR A 18 -10.625 5.255 -0.189 1.00 0.00 H new ATOM 0 HB THR A 18 -12.522 6.402 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.352 6.793 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.702 8.383 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.020 7.845 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.883 7.476 -2.194 1.00 0.00 H new ATOM 241 N GLU A 19 -12.610 3.772 0.946 1.00 0.00 N ATOM 242 CA GLU A 19 -13.258 2.589 1.500 1.00 0.00 C ATOM 243 C GLU A 19 -14.556 2.282 0.762 1.00 0.00 C ATOM 244 O GLU A 19 -14.911 1.120 0.565 1.00 0.00 O ATOM 245 CB GLU A 19 -13.538 2.787 2.991 1.00 0.00 C ATOM 246 CG GLU A 19 -13.449 1.504 3.803 1.00 0.00 C ATOM 247 CD GLU A 19 -13.074 1.754 5.250 1.00 0.00 C ATOM 248 OE1 GLU A 19 -13.353 2.864 5.752 1.00 0.00 O ATOM 249 OE2 GLU A 19 -12.499 0.843 5.881 1.00 0.00 O ATOM 0 H GLU A 19 -12.508 4.544 1.605 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.583 1.743 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.829 3.511 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.533 3.215 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.408 0.987 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.711 0.842 3.350 1.00 0.00 H new ATOM 256 N GLU A 20 -15.262 3.333 0.356 1.00 0.00 N ATOM 257 CA GLU A 20 -16.522 3.177 -0.360 1.00 0.00 C ATOM 258 C GLU A 20 -16.280 2.686 -1.785 1.00 0.00 C ATOM 259 O GLU A 20 -16.987 1.807 -2.278 1.00 0.00 O ATOM 260 CB GLU A 20 -17.287 4.502 -0.383 1.00 0.00 C ATOM 261 CG GLU A 20 -18.577 4.473 0.419 1.00 0.00 C ATOM 262 CD GLU A 20 -19.279 5.818 0.443 1.00 0.00 C ATOM 263 OE1 GLU A 20 -18.581 6.852 0.422 1.00 0.00 O ATOM 264 OE2 GLU A 20 -20.528 5.834 0.483 1.00 0.00 O ATOM 0 H GLU A 20 -14.982 4.302 0.511 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.121 2.432 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.644 5.290 0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.517 4.761 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.247 3.725 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.358 4.163 1.441 1.00 0.00 H new ATOM 271 N GLU A 21 -15.279 3.262 -2.441 1.00 0.00 N ATOM 272 CA GLU A 21 -14.944 2.884 -3.809 1.00 0.00 C ATOM 273 C GLU A 21 -14.279 1.511 -3.847 1.00 0.00 C ATOM 274 O GLU A 21 -14.512 0.723 -4.764 1.00 0.00 O ATOM 275 CB GLU A 21 -14.022 3.932 -4.438 1.00 0.00 C ATOM 276 CG GLU A 21 -14.645 4.661 -5.618 1.00 0.00 C ATOM 277 CD GLU A 21 -13.629 5.448 -6.422 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.171 6.501 -5.930 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.290 5.010 -7.542 1.00 0.00 O ATOM 0 H GLU A 21 -14.685 3.992 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.869 2.834 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.743 4.661 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.103 3.446 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.136 3.937 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.418 5.338 -5.255 1.00 0.00 H new ATOM 286 N TRP A 22 -13.451 1.232 -2.845 1.00 0.00 N ATOM 287 CA TRP A 22 -12.751 -0.045 -2.760 1.00 0.00 C ATOM 288 C TRP A 22 -13.726 -1.217 -2.845 1.00 0.00 C ATOM 289 O TRP A 22 -13.362 -2.309 -3.281 1.00 0.00 O ATOM 290 CB TRP A 22 -11.954 -0.125 -1.457 1.00 0.00 C ATOM 291 CG TRP A 22 -11.030 -1.303 -1.396 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.192 -2.432 -0.647 1.00 0.00 C ATOM 293 CD2 TRP A 22 -9.799 -1.466 -2.110 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.139 -3.289 -0.853 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.270 -2.719 -1.746 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.095 -0.676 -3.022 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.069 -3.198 -2.263 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -7.903 -1.153 -3.534 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.401 -2.404 -3.154 1.00 0.00 C ATOM 0 H TRP A 22 -13.248 1.875 -2.079 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.066 -0.109 -3.606 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.373 0.790 -1.338 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.648 -0.173 -0.618 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.026 -2.624 0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.023 -4.202 -0.413 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.475 0.290 -3.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.679 -4.162 -1.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.349 -0.551 -4.239 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.467 -2.749 -3.573 1.00 0.00 H new ATOM 310 N ASP A 23 -14.965 -0.984 -2.424 1.00 0.00 N ATOM 311 CA ASP A 23 -15.990 -2.021 -2.451 1.00 0.00 C ATOM 312 C ASP A 23 -16.636 -2.121 -3.831 1.00 0.00 C ATOM 313 O ASP A 23 -17.167 -3.168 -4.201 1.00 0.00 O ATOM 314 CB ASP A 23 -17.059 -1.738 -1.393 1.00 0.00 C ATOM 315 CG ASP A 23 -17.358 -2.951 -0.534 1.00 0.00 C ATOM 316 OD1 ASP A 23 -16.403 -3.661 -0.156 1.00 0.00 O ATOM 317 OD2 ASP A 23 -18.548 -3.192 -0.242 1.00 0.00 O ATOM 0 H ASP A 23 -15.283 -0.086 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.510 -2.974 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.728 -0.918 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.975 -1.410 -1.885 1.00 0.00 H new ATOM 322 N LEU A 24 -16.590 -1.028 -4.587 1.00 0.00 N ATOM 323 CA LEU A 24 -17.175 -0.999 -5.923 1.00 0.00 C ATOM 324 C LEU A 24 -16.129 -1.296 -6.994 1.00 0.00 C ATOM 325 O LEU A 24 -16.317 -0.970 -8.166 1.00 0.00 O ATOM 326 CB LEU A 24 -17.819 0.363 -6.191 1.00 0.00 C ATOM 327 CG LEU A 24 -18.574 0.964 -5.006 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.625 2.479 -5.117 1.00 0.00 C ATOM 329 CD2 LEU A 24 -19.979 0.385 -4.922 1.00 0.00 C ATOM 0 H LEU A 24 -16.154 -0.152 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 24 -17.939 -1.775 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.041 1.062 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.509 0.264 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.040 0.707 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.167 2.888 -4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.610 2.877 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.135 2.759 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.503 0.823 -4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.522 0.612 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -19.920 -0.696 -4.793 1.00 0.00 H new ATOM 341 N LEU A 25 -15.026 -1.918 -6.588 1.00 0.00 N ATOM 342 CA LEU A 25 -13.956 -2.259 -7.519 1.00 0.00 C ATOM 343 C LEU A 25 -13.992 -3.742 -7.873 1.00 0.00 C ATOM 344 O LEU A 25 -14.680 -4.528 -7.221 1.00 0.00 O ATOM 345 CB LEU A 25 -12.595 -1.899 -6.922 1.00 0.00 C ATOM 346 CG LEU A 25 -12.300 -0.401 -6.836 1.00 0.00 C ATOM 347 CD1 LEU A 25 -11.113 -0.141 -5.921 1.00 0.00 C ATOM 348 CD2 LEU A 25 -12.043 0.172 -8.221 1.00 0.00 C ATOM 0 H LEU A 25 -14.850 -2.196 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.108 -1.683 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.531 -2.324 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.817 -2.373 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.173 0.097 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.919 0.930 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.335 -0.515 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.233 -0.652 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.835 1.239 -8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.187 -0.332 -8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.923 0.020 -8.847 1.00 0.00 H new ATOM 360 N ASP A 26 -13.249 -4.117 -8.909 1.00 0.00 N ATOM 361 CA ASP A 26 -13.196 -5.506 -9.349 1.00 0.00 C ATOM 362 C ASP A 26 -11.959 -6.206 -8.796 1.00 0.00 C ATOM 363 O ASP A 26 -11.177 -5.612 -8.052 1.00 0.00 O ATOM 364 CB ASP A 26 -13.197 -5.578 -10.877 1.00 0.00 C ATOM 365 CG ASP A 26 -14.588 -5.432 -11.461 1.00 0.00 C ATOM 366 OD1 ASP A 26 -15.418 -4.727 -10.850 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.848 -6.023 -12.531 1.00 0.00 O ATOM 0 H ASP A 26 -12.675 -3.478 -9.460 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.080 -6.016 -8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.554 -4.793 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.771 -6.530 -11.194 1.00 0.00 H new ATOM 372 N SER A 27 -11.786 -7.470 -9.165 1.00 0.00 N ATOM 373 CA SER A 27 -10.643 -8.252 -8.707 1.00 0.00 C ATOM 374 C SER A 27 -9.345 -7.719 -9.305 1.00 0.00 C ATOM 375 O SER A 27 -8.292 -7.761 -8.668 1.00 0.00 O ATOM 376 CB SER A 27 -10.822 -9.724 -9.080 1.00 0.00 C ATOM 377 OG SER A 27 -11.840 -10.328 -8.300 1.00 0.00 O ATOM 0 H SER A 27 -12.423 -7.976 -9.780 1.00 0.00 H new ATOM 0 HA SER A 27 -10.586 -8.164 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.073 -9.806 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.882 -10.257 -8.933 1.00 0.00 H new ATOM 0 HG SER A 27 -11.936 -11.268 -8.559 1.00 0.00 H new ATOM 383 N SER A 28 -9.427 -7.218 -10.534 1.00 0.00 N ATOM 384 CA SER A 28 -8.259 -6.677 -11.219 1.00 0.00 C ATOM 385 C SER A 28 -7.768 -5.405 -10.534 1.00 0.00 C ATOM 386 O SER A 28 -6.567 -5.214 -10.347 1.00 0.00 O ATOM 387 CB SER A 28 -8.591 -6.385 -12.684 1.00 0.00 C ATOM 388 OG SER A 28 -8.814 -7.584 -13.405 1.00 0.00 O ATOM 0 H SER A 28 -10.290 -7.176 -11.075 1.00 0.00 H new ATOM 0 HA SER A 28 -7.465 -7.422 -11.175 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.477 -5.753 -12.740 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.773 -5.829 -13.142 1.00 0.00 H new ATOM 0 HG SER A 28 -9.026 -7.370 -14.338 1.00 0.00 H new ATOM 394 N GLN A 29 -8.705 -4.540 -10.160 1.00 0.00 N ATOM 395 CA GLN A 29 -8.368 -3.288 -9.494 1.00 0.00 C ATOM 396 C GLN A 29 -7.823 -3.548 -8.095 1.00 0.00 C ATOM 397 O GLN A 29 -6.797 -2.992 -7.703 1.00 0.00 O ATOM 398 CB GLN A 29 -9.598 -2.380 -9.412 1.00 0.00 C ATOM 399 CG GLN A 29 -10.372 -2.280 -10.715 1.00 0.00 C ATOM 400 CD GLN A 29 -10.108 -0.981 -11.451 1.00 0.00 C ATOM 401 OE1 GLN A 29 -9.122 -0.854 -12.177 1.00 0.00 O ATOM 402 NE2 GLN A 29 -10.991 -0.006 -11.265 1.00 0.00 N ATOM 0 H GLN A 29 -9.704 -4.684 -10.307 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.596 -2.790 -10.081 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.263 -2.753 -8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.282 -1.381 -9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.104 -3.119 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.439 -2.366 -10.507 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.794 -0.155 -10.654 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.866 0.892 -11.733 1.00 0.00 H new ATOM 411 N LYS A 30 -8.517 -4.399 -7.346 1.00 0.00 N ATOM 412 CA LYS A 30 -8.108 -4.737 -5.989 1.00 0.00 C ATOM 413 C LYS A 30 -6.690 -5.307 -5.972 1.00 0.00 C ATOM 414 O LYS A 30 -5.969 -5.170 -4.984 1.00 0.00 O ATOM 415 CB LYS A 30 -9.086 -5.746 -5.383 1.00 0.00 C ATOM 416 CG LYS A 30 -10.080 -5.122 -4.415 1.00 0.00 C ATOM 417 CD LYS A 30 -11.057 -6.155 -3.878 1.00 0.00 C ATOM 418 CE LYS A 30 -12.142 -5.508 -3.033 1.00 0.00 C ATOM 419 NZ LYS A 30 -12.582 -6.394 -1.920 1.00 0.00 N ATOM 0 H LYS A 30 -9.367 -4.868 -7.658 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.117 -3.825 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.634 -6.237 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.521 -6.520 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.542 -4.662 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.630 -4.327 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.514 -6.692 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.519 -6.890 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.771 -4.568 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.997 -5.266 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.322 -5.916 -1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.960 -7.281 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.772 -6.605 -1.303 1.00 0.00 H new ATOM 433 N ARG A 31 -6.299 -5.946 -7.070 1.00 0.00 N ATOM 434 CA ARG A 31 -4.970 -6.534 -7.179 1.00 0.00 C ATOM 435 C ARG A 31 -3.957 -5.503 -7.668 1.00 0.00 C ATOM 436 O ARG A 31 -2.794 -5.521 -7.261 1.00 0.00 O ATOM 437 CB ARG A 31 -4.996 -7.732 -8.130 1.00 0.00 C ATOM 438 CG ARG A 31 -3.648 -8.420 -8.280 1.00 0.00 C ATOM 439 CD ARG A 31 -3.019 -8.131 -9.634 1.00 0.00 C ATOM 440 NE ARG A 31 -3.172 -9.251 -10.559 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.410 -10.343 -10.534 1.00 0.00 C ATOM 442 NH1 ARG A 31 -1.443 -10.464 -9.633 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.617 -11.315 -11.411 1.00 0.00 N ATOM 0 H ARG A 31 -6.884 -6.069 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.667 -6.872 -6.188 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.726 -8.456 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.336 -7.399 -9.111 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.978 -8.085 -7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.773 -9.496 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.478 -7.241 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.959 -7.912 -9.502 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.905 -9.193 -11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.281 -9.719 -8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.862 -11.302 -9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.360 -11.226 -12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.034 -12.152 -11.392 1.00 0.00 H new ATOM 457 N LEU A 32 -4.404 -4.607 -8.541 1.00 0.00 N ATOM 458 CA LEU A 32 -3.537 -3.570 -9.084 1.00 0.00 C ATOM 459 C LEU A 32 -3.125 -2.583 -7.999 1.00 0.00 C ATOM 460 O LEU A 32 -1.954 -2.217 -7.886 1.00 0.00 O ATOM 461 CB LEU A 32 -4.242 -2.831 -10.222 1.00 0.00 C ATOM 462 CG LEU A 32 -4.141 -3.507 -11.589 1.00 0.00 C ATOM 463 CD1 LEU A 32 -5.413 -3.283 -12.392 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.930 -2.990 -12.349 1.00 0.00 C ATOM 0 H LEU A 32 -5.363 -4.579 -8.888 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.639 -4.049 -9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.295 -2.719 -9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.824 -1.827 -10.298 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.019 -4.579 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.322 -3.772 -13.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.262 -3.702 -11.853 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.568 -2.214 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.873 -3.482 -13.320 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.023 -1.913 -12.492 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.025 -3.204 -11.780 1.00 0.00 H new ATOM 476 N TYR A 33 -4.096 -2.160 -7.201 1.00 0.00 N ATOM 477 CA TYR A 33 -3.840 -1.218 -6.118 1.00 0.00 C ATOM 478 C TYR A 33 -2.922 -1.836 -5.070 1.00 0.00 C ATOM 479 O TYR A 33 -2.177 -1.133 -4.388 1.00 0.00 O ATOM 480 CB TYR A 33 -5.156 -0.788 -5.468 1.00 0.00 C ATOM 481 CG TYR A 33 -4.990 0.273 -4.404 1.00 0.00 C ATOM 482 CD1 TYR A 33 -4.557 -0.059 -3.127 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.266 1.607 -4.678 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.404 0.908 -2.152 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.115 2.580 -3.708 1.00 0.00 C ATOM 486 CZ TYR A 33 -4.684 2.225 -2.447 1.00 0.00 C ATOM 487 OH TYR A 33 -4.532 3.191 -1.479 1.00 0.00 O ATOM 0 H TYR A 33 -5.069 -2.454 -7.283 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.347 -0.342 -6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.827 -0.413 -6.241 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.635 -1.662 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.336 -1.090 -2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.604 1.888 -5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.067 0.633 -1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.333 3.613 -3.936 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.770 4.066 -1.850 1.00 0.00 H new ATOM 497 N GLU A 34 -2.981 -3.158 -4.948 1.00 0.00 N ATOM 498 CA GLU A 34 -2.155 -3.876 -3.985 1.00 0.00 C ATOM 499 C GLU A 34 -0.746 -4.092 -4.529 1.00 0.00 C ATOM 500 O GLU A 34 0.219 -4.156 -3.768 1.00 0.00 O ATOM 501 CB GLU A 34 -2.796 -5.223 -3.638 1.00 0.00 C ATOM 502 CG GLU A 34 -3.494 -5.233 -2.287 1.00 0.00 C ATOM 503 CD GLU A 34 -3.237 -6.508 -1.508 1.00 0.00 C ATOM 504 OE1 GLU A 34 -3.607 -7.593 -2.005 1.00 0.00 O ATOM 505 OE2 GLU A 34 -2.666 -6.422 -0.400 1.00 0.00 O ATOM 0 H GLU A 34 -3.593 -3.754 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.084 -3.271 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.517 -5.483 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.027 -5.995 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.155 -4.379 -1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.567 -5.112 -2.436 1.00 0.00 H new ATOM 512 N GLU A 35 -0.636 -4.201 -5.848 1.00 0.00 N ATOM 513 CA GLU A 35 0.656 -4.409 -6.494 1.00 0.00 C ATOM 514 C GLU A 35 1.623 -3.280 -6.152 1.00 0.00 C ATOM 515 O GLU A 35 2.834 -3.490 -6.072 1.00 0.00 O ATOM 516 CB GLU A 35 0.482 -4.504 -8.011 1.00 0.00 C ATOM 517 CG GLU A 35 0.260 -5.923 -8.509 1.00 0.00 C ATOM 518 CD GLU A 35 1.530 -6.557 -9.042 1.00 0.00 C ATOM 519 OE1 GLU A 35 2.381 -5.820 -9.584 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.675 -7.792 -8.917 1.00 0.00 O ATOM 0 H GLU A 35 -1.426 -4.149 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 35 1.073 -5.346 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.364 -3.886 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.366 -4.091 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.133 -6.533 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.496 -5.915 -9.295 1.00 0.00 H new ATOM 527 N VAL A 36 1.081 -2.083 -5.950 1.00 0.00 N ATOM 528 CA VAL A 36 1.896 -0.922 -5.615 1.00 0.00 C ATOM 529 C VAL A 36 2.076 -0.794 -4.107 1.00 0.00 C ATOM 530 O VAL A 36 3.100 -0.302 -3.634 1.00 0.00 O ATOM 531 CB VAL A 36 1.271 0.377 -6.158 1.00 0.00 C ATOM 532 CG1 VAL A 36 1.334 0.407 -7.677 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.163 0.522 -5.673 1.00 0.00 C ATOM 0 H VAL A 36 0.081 -1.892 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 36 2.869 -1.072 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 36 1.846 1.222 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.888 1.332 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.374 0.354 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.786 -0.444 -8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.589 1.445 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.752 -0.326 -6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.177 0.551 -4.583 1.00 0.00 H new ATOM 543 N MET A 37 1.074 -1.241 -3.357 1.00 0.00 N ATOM 544 CA MET A 37 1.121 -1.177 -1.901 1.00 0.00 C ATOM 545 C MET A 37 2.261 -2.031 -1.356 1.00 0.00 C ATOM 546 O MET A 37 2.883 -1.686 -0.351 1.00 0.00 O ATOM 547 CB MET A 37 -0.210 -1.642 -1.306 1.00 0.00 C ATOM 548 CG MET A 37 -1.243 -0.533 -1.189 1.00 0.00 C ATOM 549 SD MET A 37 -2.240 -0.669 0.308 1.00 0.00 S ATOM 550 CE MET A 37 -1.782 0.840 1.157 1.00 0.00 C ATOM 0 H MET A 37 0.220 -1.651 -3.734 1.00 0.00 H new ATOM 0 HA MET A 37 1.297 -0.141 -1.613 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.616 -2.442 -1.925 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.029 -2.065 -0.318 1.00 0.00 H new ATOM 0 HG2 MET A 37 -0.737 0.432 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.897 -0.558 -2.060 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.318 0.901 2.104 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.709 0.839 1.347 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.041 1.699 0.538 1.00 0.00 H new ATOM 560 N LEU A 38 2.531 -3.147 -2.026 1.00 0.00 N ATOM 561 CA LEU A 38 3.596 -4.050 -1.609 1.00 0.00 C ATOM 562 C LEU A 38 4.946 -3.337 -1.610 1.00 0.00 C ATOM 563 O LEU A 38 5.825 -3.650 -0.807 1.00 0.00 O ATOM 564 CB LEU A 38 3.650 -5.269 -2.532 1.00 0.00 C ATOM 565 CG LEU A 38 2.425 -6.182 -2.470 1.00 0.00 C ATOM 566 CD1 LEU A 38 2.455 -7.193 -3.605 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.357 -6.891 -1.125 1.00 0.00 C ATOM 0 H LEU A 38 2.026 -3.447 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 38 3.381 -4.381 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.775 -4.923 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.534 -5.855 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 38 1.532 -5.568 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.576 -7.834 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.456 -6.668 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.355 -7.803 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.479 -7.537 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.255 -7.493 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.288 -6.152 -0.327 1.00 0.00 H new ATOM 579 N GLU A 39 5.100 -2.377 -2.515 1.00 0.00 N ATOM 580 CA GLU A 39 6.341 -1.618 -2.620 1.00 0.00 C ATOM 581 C GLU A 39 6.203 -0.252 -1.952 1.00 0.00 C ATOM 582 O GLU A 39 6.879 0.705 -2.330 1.00 0.00 O ATOM 583 CB GLU A 39 6.733 -1.448 -4.089 1.00 0.00 C ATOM 584 CG GLU A 39 7.887 -2.340 -4.518 1.00 0.00 C ATOM 585 CD GLU A 39 8.034 -2.420 -6.025 1.00 0.00 C ATOM 586 OE1 GLU A 39 7.113 -2.948 -6.683 1.00 0.00 O ATOM 587 OE2 GLU A 39 9.070 -1.957 -6.545 1.00 0.00 O ATOM 0 H GLU A 39 4.381 -2.106 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 39 7.125 -2.173 -2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.867 -1.663 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.004 -0.407 -4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.814 -1.962 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.735 -3.342 -4.118 1.00 0.00 H new ATOM 594 N THR A 40 5.327 -0.170 -0.956 1.00 0.00 N ATOM 595 CA THR A 40 5.103 1.078 -0.235 1.00 0.00 C ATOM 596 C THR A 40 4.660 0.806 1.198 1.00 0.00 C ATOM 597 O THR A 40 3.901 1.580 1.781 1.00 0.00 O ATOM 598 CB THR A 40 4.052 1.925 -0.955 1.00 0.00 C ATOM 599 OG1 THR A 40 4.298 1.952 -2.349 1.00 0.00 O ATOM 600 CG2 THR A 40 4.002 3.357 -0.469 1.00 0.00 C ATOM 0 H THR A 40 4.761 -0.953 -0.630 1.00 0.00 H new ATOM 0 HA THR A 40 6.044 1.627 -0.207 1.00 0.00 H new ATOM 0 HB THR A 40 3.097 1.450 -0.733 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.895 1.163 -2.768 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.236 3.902 -1.021 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.763 3.372 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.971 3.830 -0.630 1.00 0.00 H new ATOM 608 N TYR A 41 5.141 -0.297 1.761 1.00 0.00 N ATOM 609 CA TYR A 41 4.794 -0.672 3.128 1.00 0.00 C ATOM 610 C TYR A 41 5.888 -1.538 3.747 1.00 0.00 C ATOM 611 O TYR A 41 6.354 -1.270 4.853 1.00 0.00 O ATOM 612 CB TYR A 41 3.460 -1.420 3.151 1.00 0.00 C ATOM 613 CG TYR A 41 2.560 -1.018 4.299 1.00 0.00 C ATOM 614 CD1 TYR A 41 3.072 -0.831 5.576 1.00 0.00 C ATOM 615 CD2 TYR A 41 1.198 -0.826 4.103 1.00 0.00 C ATOM 616 CE1 TYR A 41 2.252 -0.464 6.626 1.00 0.00 C ATOM 617 CE2 TYR A 41 0.373 -0.458 5.148 1.00 0.00 C ATOM 618 CZ TYR A 41 0.904 -0.279 6.408 1.00 0.00 C ATOM 619 OH TYR A 41 0.085 0.087 7.451 1.00 0.00 O ATOM 0 H TYR A 41 5.772 -0.947 1.293 1.00 0.00 H new ATOM 0 HA TYR A 41 4.700 0.240 3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.937 -1.243 2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.654 -2.491 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.128 -0.975 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.778 -0.967 3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.666 -0.323 7.613 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.684 -0.311 4.979 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.836 0.177 7.128 1.00 0.00 H new ATOM 629 N GLN A 42 6.290 -2.578 3.023 1.00 0.00 N ATOM 630 CA GLN A 42 7.329 -3.484 3.499 1.00 0.00 C ATOM 631 C GLN A 42 8.719 -2.898 3.265 1.00 0.00 C ATOM 632 O GLN A 42 9.680 -3.271 3.939 1.00 0.00 O ATOM 633 CB GLN A 42 7.211 -4.839 2.799 1.00 0.00 C ATOM 634 CG GLN A 42 6.105 -5.720 3.359 1.00 0.00 C ATOM 635 CD GLN A 42 5.068 -6.091 2.318 1.00 0.00 C ATOM 636 OE1 GLN A 42 4.945 -7.256 1.936 1.00 0.00 O ATOM 637 NE2 GLN A 42 4.315 -5.101 1.851 1.00 0.00 N ATOM 0 H GLN A 42 5.912 -2.814 2.105 1.00 0.00 H new ATOM 0 HA GLN A 42 7.191 -3.621 4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.030 -4.675 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.161 -5.366 2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.544 -6.630 3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.616 -5.202 4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.451 -4.151 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.601 -5.291 1.148 1.00 0.00 H new ATOM 646 N ASN A 43 8.822 -1.983 2.306 1.00 0.00 N ATOM 647 CA ASN A 43 10.097 -1.350 1.985 1.00 0.00 C ATOM 648 C ASN A 43 10.366 -0.142 2.883 1.00 0.00 C ATOM 649 O ASN A 43 11.344 0.578 2.685 1.00 0.00 O ATOM 650 CB ASN A 43 10.119 -0.921 0.517 1.00 0.00 C ATOM 651 CG ASN A 43 10.216 -2.102 -0.429 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.226 -2.288 -1.108 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.161 -2.907 -0.479 1.00 0.00 N ATOM 0 H ASN A 43 8.038 -1.663 1.737 1.00 0.00 H new ATOM 0 HA ASN A 43 10.884 -2.083 2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.216 -0.353 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.964 -0.254 0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.167 -3.718 -1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.345 -2.715 0.102 1.00 0.00 H new ATOM 660 N LEU A 44 9.498 0.078 3.869 1.00 0.00 N ATOM 661 CA LEU A 44 9.657 1.201 4.786 1.00 0.00 C ATOM 662 C LEU A 44 10.325 0.752 6.082 1.00 0.00 C ATOM 663 O LEU A 44 9.990 1.233 7.164 1.00 0.00 O ATOM 664 CB LEU A 44 8.298 1.834 5.092 1.00 0.00 C ATOM 665 CG LEU A 44 7.360 1.969 3.892 1.00 0.00 C ATOM 666 CD1 LEU A 44 5.960 2.349 4.350 1.00 0.00 C ATOM 667 CD2 LEU A 44 7.899 2.997 2.908 1.00 0.00 C ATOM 0 H LEU A 44 8.681 -0.505 4.052 1.00 0.00 H new ATOM 0 HA LEU A 44 10.295 1.943 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.801 1.237 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.463 2.824 5.517 1.00 0.00 H new ATOM 0 HG LEU A 44 7.305 1.005 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.306 2.441 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.573 1.578 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.996 3.301 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.219 3.080 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.983 3.965 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.882 2.683 2.556 1.00 0.00 H new ATOM 679 N THR A 45 11.274 -0.171 5.963 1.00 0.00 N ATOM 680 CA THR A 45 11.990 -0.684 7.127 1.00 0.00 C ATOM 681 C THR A 45 13.212 0.174 7.453 1.00 0.00 C ATOM 682 O THR A 45 14.008 -0.174 8.325 1.00 0.00 O ATOM 683 CB THR A 45 12.423 -2.131 6.884 1.00 0.00 C ATOM 684 OG1 THR A 45 11.357 -2.888 6.340 1.00 0.00 O ATOM 685 CG2 THR A 45 12.892 -2.834 8.139 1.00 0.00 C ATOM 0 H THR A 45 11.565 -0.579 5.075 1.00 0.00 H new ATOM 0 HA THR A 45 11.311 -0.646 7.979 1.00 0.00 H new ATOM 0 HB THR A 45 13.259 -2.070 6.188 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.216 -2.630 5.405 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.184 -3.856 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.747 -2.302 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.083 -2.852 8.870 1.00 0.00 H new ATOM 693 N ASP A 46 13.359 1.296 6.751 1.00 0.00 N ATOM 694 CA ASP A 46 14.486 2.193 6.975 1.00 0.00 C ATOM 695 C ASP A 46 14.338 2.929 8.304 1.00 0.00 C ATOM 696 O ASP A 46 14.079 4.132 8.335 1.00 0.00 O ATOM 697 CB ASP A 46 14.601 3.199 5.828 1.00 0.00 C ATOM 698 CG ASP A 46 16.039 3.566 5.522 1.00 0.00 C ATOM 699 OD1 ASP A 46 16.553 4.522 6.140 1.00 0.00 O ATOM 700 OD2 ASP A 46 16.652 2.898 4.663 1.00 0.00 O ATOM 0 H ASP A 46 12.712 1.603 6.024 1.00 0.00 H new ATOM 0 HA ASP A 46 15.395 1.593 7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.138 2.781 4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.045 4.101 6.083 1.00 0.00 H new ATOM 705 N ILE A 47 14.505 2.197 9.401 1.00 0.00 N ATOM 706 CA ILE A 47 14.390 2.779 10.732 1.00 0.00 C ATOM 707 C ILE A 47 15.746 2.822 11.431 1.00 0.00 C ATOM 708 O ILE A 47 15.841 2.621 12.641 1.00 0.00 O ATOM 709 CB ILE A 47 13.398 1.987 11.609 1.00 0.00 C ATOM 710 CG1 ILE A 47 12.104 1.718 10.839 1.00 0.00 C ATOM 711 CG2 ILE A 47 13.107 2.745 12.897 1.00 0.00 C ATOM 712 CD1 ILE A 47 11.251 0.629 11.453 1.00 0.00 C ATOM 0 H ILE A 47 14.720 1.200 9.394 1.00 0.00 H new ATOM 0 HA ILE A 47 14.017 3.795 10.602 1.00 0.00 H new ATOM 0 HB ILE A 47 13.850 1.029 11.868 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.523 2.639 10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.351 1.440 9.814 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.406 2.174 13.505 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.034 2.889 13.452 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.673 3.716 12.658 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.350 0.492 10.855 1.00 0.00 H new ATOM 0 HD12 ILE A 47 11.815 -0.304 11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.973 0.913 12.468 1.00 0.00 H new ATOM 724 N GLY A 48 16.794 3.087 10.657 1.00 0.00 N ATOM 725 CA GLY A 48 18.131 3.152 11.218 1.00 0.00 C ATOM 726 C GLY A 48 18.346 4.393 12.062 1.00 0.00 C ATOM 727 O GLY A 48 18.519 4.302 13.278 1.00 0.00 O ATOM 0 H GLY A 48 16.741 3.258 9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.309 2.266 11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.862 3.135 10.410 1.00 0.00 H new ATOM 731 N TYR A 49 18.336 5.554 11.417 1.00 0.00 N ATOM 732 CA TYR A 49 18.532 6.820 12.116 1.00 0.00 C ATOM 733 C TYR A 49 17.258 7.658 12.088 1.00 0.00 C ATOM 734 O TYR A 49 16.694 7.914 11.024 1.00 0.00 O ATOM 735 CB TYR A 49 19.689 7.600 11.486 1.00 0.00 C ATOM 736 CG TYR A 49 20.917 7.676 12.365 1.00 0.00 C ATOM 737 CD1 TYR A 49 21.841 6.640 12.390 1.00 0.00 C ATOM 738 CD2 TYR A 49 21.152 8.784 13.169 1.00 0.00 C ATOM 739 CE1 TYR A 49 22.965 6.706 13.193 1.00 0.00 C ATOM 740 CE2 TYR A 49 22.272 8.858 13.973 1.00 0.00 C ATOM 741 CZ TYR A 49 23.176 7.816 13.982 1.00 0.00 C ATOM 742 OH TYR A 49 24.293 7.886 14.782 1.00 0.00 O ATOM 0 H TYR A 49 18.194 5.645 10.411 1.00 0.00 H new ATOM 0 HA TYR A 49 18.777 6.601 13.155 1.00 0.00 H new ATOM 0 HB2 TYR A 49 19.959 7.132 10.539 1.00 0.00 H new ATOM 0 HB3 TYR A 49 19.353 8.611 11.258 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.679 5.769 11.773 1.00 0.00 H new ATOM 0 HD2 TYR A 49 20.446 9.602 13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 49 23.674 5.891 13.202 1.00 0.00 H new ATOM 0 HE2 TYR A 49 22.440 9.727 14.592 1.00 0.00 H new ATOM 0 HH TYR A 49 24.291 8.734 15.273 1.00 0.00 H new ATOM 752 N ASN A 50 16.811 8.084 13.265 1.00 0.00 N ATOM 753 CA ASN A 50 15.603 8.894 13.377 1.00 0.00 C ATOM 754 C ASN A 50 15.947 10.379 13.417 1.00 0.00 C ATOM 755 O ASN A 50 16.183 10.943 14.486 1.00 0.00 O ATOM 756 CB ASN A 50 14.816 8.506 14.629 1.00 0.00 C ATOM 757 CG ASN A 50 13.318 8.581 14.417 1.00 0.00 C ATOM 758 OD1 ASN A 50 12.596 7.611 14.650 1.00 0.00 O ATOM 759 ND2 ASN A 50 12.839 9.737 13.971 1.00 0.00 N ATOM 0 H ASN A 50 17.267 7.882 14.155 1.00 0.00 H new ATOM 0 HA ASN A 50 14.987 8.705 12.498 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.088 7.493 14.926 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.097 9.165 15.450 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.838 9.846 13.809 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.472 10.516 13.791 1.00 0.00 H new ATOM 766 N TRP A 51 15.975 11.008 12.246 1.00 0.00 N ATOM 767 CA TRP A 51 16.290 12.429 12.149 1.00 0.00 C ATOM 768 C TRP A 51 15.228 13.172 11.340 1.00 0.00 C ATOM 769 O TRP A 51 15.491 14.242 10.791 1.00 0.00 O ATOM 770 CB TRP A 51 17.663 12.622 11.502 1.00 0.00 C ATOM 771 CG TRP A 51 17.736 12.100 10.100 1.00 0.00 C ATOM 772 CD1 TRP A 51 17.922 10.804 9.716 1.00 0.00 C ATOM 773 CD2 TRP A 51 17.624 12.866 8.895 1.00 0.00 C ATOM 774 NE1 TRP A 51 17.931 10.716 8.345 1.00 0.00 N ATOM 775 CE2 TRP A 51 17.751 11.968 7.818 1.00 0.00 C ATOM 776 CE3 TRP A 51 17.429 14.222 8.621 1.00 0.00 C ATOM 777 CZ2 TRP A 51 17.688 12.383 6.491 1.00 0.00 C ATOM 778 CZ3 TRP A 51 17.367 14.633 7.303 1.00 0.00 C ATOM 779 CH2 TRP A 51 17.496 13.716 6.252 1.00 0.00 C ATOM 0 H TRP A 51 15.783 10.556 11.352 1.00 0.00 H new ATOM 0 HA TRP A 51 16.306 12.841 13.158 1.00 0.00 H new ATOM 0 HB2 TRP A 51 17.910 13.684 11.500 1.00 0.00 H new ATOM 0 HB3 TRP A 51 18.417 12.120 12.109 1.00 0.00 H new ATOM 0 HD1 TRP A 51 18.044 9.970 10.391 1.00 0.00 H new ATOM 0 HE1 TRP A 51 18.052 9.858 7.807 1.00 0.00 H new ATOM 0 HE3 TRP A 51 17.329 14.936 9.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 17.787 11.678 5.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 17.217 15.679 7.080 1.00 0.00 H new ATOM 0 HH2 TRP A 51 17.443 14.069 5.233 1.00 0.00 H new ATOM 790 N GLN A 52 14.029 12.600 11.273 1.00 0.00 N ATOM 791 CA GLN A 52 12.932 13.212 10.533 1.00 0.00 C ATOM 792 C GLN A 52 11.957 13.905 11.479 1.00 0.00 C ATOM 793 O GLN A 52 10.756 13.960 11.217 1.00 0.00 O ATOM 794 CB GLN A 52 12.197 12.158 9.704 1.00 0.00 C ATOM 795 CG GLN A 52 13.084 11.452 8.692 1.00 0.00 C ATOM 796 CD GLN A 52 12.618 10.041 8.393 1.00 0.00 C ATOM 797 OE1 GLN A 52 12.171 9.743 7.286 1.00 0.00 O ATOM 798 NE2 GLN A 52 12.721 9.161 9.383 1.00 0.00 N ATOM 0 H GLN A 52 13.794 11.715 11.722 1.00 0.00 H new ATOM 0 HA GLN A 52 13.353 13.961 9.862 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.765 11.416 10.376 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.369 12.634 9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.103 12.028 7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.106 11.421 9.069 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.098 9.451 10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.424 8.196 9.240 1.00 0.00 H new ATOM 807 N ASP A 53 12.482 14.433 12.580 1.00 0.00 N ATOM 808 CA ASP A 53 11.658 15.122 13.565 1.00 0.00 C ATOM 809 C ASP A 53 11.592 16.617 13.270 1.00 0.00 C ATOM 810 O ASP A 53 12.503 17.369 13.618 1.00 0.00 O ATOM 811 CB ASP A 53 12.209 14.892 14.974 1.00 0.00 C ATOM 812 CG ASP A 53 13.687 15.211 15.075 1.00 0.00 C ATOM 813 OD1 ASP A 53 14.484 14.571 14.354 1.00 0.00 O ATOM 814 OD2 ASP A 53 14.050 16.099 15.874 1.00 0.00 O ATOM 0 H ASP A 53 13.475 14.397 12.812 1.00 0.00 H new ATOM 0 HA ASP A 53 10.649 14.714 13.506 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.657 15.510 15.682 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.044 13.854 15.261 1.00 0.00 H new ATOM 819 N HIS A 54 10.509 17.041 12.627 1.00 0.00 N ATOM 820 CA HIS A 54 10.325 18.446 12.285 1.00 0.00 C ATOM 821 C HIS A 54 9.403 19.134 13.287 1.00 0.00 C ATOM 822 O HIS A 54 8.181 19.099 13.147 1.00 0.00 O ATOM 823 CB HIS A 54 9.751 18.578 10.874 1.00 0.00 C ATOM 824 CG HIS A 54 10.557 17.869 9.831 1.00 0.00 C ATOM 825 ND1 HIS A 54 10.097 17.639 8.551 1.00 0.00 N ATOM 826 CD2 HIS A 54 11.801 17.335 9.883 1.00 0.00 C ATOM 827 CE1 HIS A 54 11.023 16.995 7.861 1.00 0.00 C ATOM 828 NE2 HIS A 54 12.066 16.800 8.646 1.00 0.00 N ATOM 0 H HIS A 54 9.746 16.432 12.332 1.00 0.00 H new ATOM 0 HA HIS A 54 11.299 18.933 12.321 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.735 18.184 10.866 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.686 19.635 10.615 1.00 0.00 H new ATOM 0 HD2 HIS A 54 12.461 17.331 10.738 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.940 16.682 6.831 1.00 0.00 H new ATOM 0 HE2 HIS A 54 12.929 16.328 8.377 1.00 0.00 H new ATOM 836 N HIS A 55 9.998 19.757 14.299 1.00 0.00 N ATOM 837 CA HIS A 55 9.230 20.453 15.326 1.00 0.00 C ATOM 838 C HIS A 55 10.067 21.544 15.986 1.00 0.00 C ATOM 839 O HIS A 55 9.951 21.789 17.187 1.00 0.00 O ATOM 840 CB HIS A 55 8.736 19.461 16.381 1.00 0.00 C ATOM 841 CG HIS A 55 7.298 19.652 16.754 1.00 0.00 C ATOM 842 ND1 HIS A 55 6.360 18.644 16.677 1.00 0.00 N ATOM 843 CD2 HIS A 55 6.639 20.743 17.211 1.00 0.00 C ATOM 844 CE1 HIS A 55 5.186 19.107 17.069 1.00 0.00 C ATOM 845 NE2 HIS A 55 5.329 20.378 17.398 1.00 0.00 N ATOM 0 H HIS A 55 11.009 19.794 14.430 1.00 0.00 H new ATOM 0 HA HIS A 55 8.370 20.922 14.848 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.874 18.446 16.007 1.00 0.00 H new ATOM 0 HB3 HIS A 55 9.351 19.558 17.276 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.065 21.719 17.394 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.266 18.542 17.113 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.586 20.990 17.736 1.00 0.00 H new ATOM 853 N ILE A 56 10.910 22.196 15.194 1.00 0.00 N ATOM 854 CA ILE A 56 11.766 23.261 15.701 1.00 0.00 C ATOM 855 C ILE A 56 11.161 24.634 15.419 1.00 0.00 C ATOM 856 O ILE A 56 11.873 25.591 15.115 1.00 0.00 O ATOM 857 CB ILE A 56 13.178 23.188 15.083 1.00 0.00 C ATOM 858 CG1 ILE A 56 14.110 24.199 15.756 1.00 0.00 C ATOM 859 CG2 ILE A 56 13.119 23.428 13.581 1.00 0.00 C ATOM 860 CD1 ILE A 56 15.554 23.751 15.803 1.00 0.00 C ATOM 0 H ILE A 56 11.019 22.006 14.198 1.00 0.00 H new ATOM 0 HA ILE A 56 11.845 23.121 16.779 1.00 0.00 H new ATOM 0 HB ILE A 56 13.577 22.188 15.252 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.050 25.148 15.223 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.761 24.382 16.772 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.125 23.372 13.164 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.491 22.669 13.116 1.00 0.00 H new ATOM 0 HG23 ILE A 56 12.700 24.415 13.386 1.00 0.00 H new ATOM 0 HD11 ILE A 56 16.156 24.516 16.293 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.627 22.818 16.362 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.920 23.596 14.788 1.00 0.00 H new ATOM 872 N GLU A 57 9.838 24.722 15.522 1.00 0.00 N ATOM 873 CA GLU A 57 9.130 25.973 15.279 1.00 0.00 C ATOM 874 C GLU A 57 9.273 26.408 13.822 1.00 0.00 C ATOM 875 O GLU A 57 8.357 26.230 13.019 1.00 0.00 O ATOM 876 CB GLU A 57 9.652 27.073 16.209 1.00 0.00 C ATOM 877 CG GLU A 57 8.765 27.316 17.419 1.00 0.00 C ATOM 878 CD GLU A 57 9.099 26.402 18.581 1.00 0.00 C ATOM 879 OE1 GLU A 57 10.287 26.047 18.735 1.00 0.00 O ATOM 880 OE2 GLU A 57 8.173 26.039 19.337 1.00 0.00 O ATOM 0 H GLU A 57 9.234 23.939 15.773 1.00 0.00 H new ATOM 0 HA GLU A 57 8.073 25.807 15.486 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.652 26.805 16.550 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.745 28.001 15.645 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.867 28.354 17.737 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.723 27.171 17.136 1.00 0.00 H new ATOM 887 N GLU A 58 10.427 26.977 13.488 1.00 0.00 N ATOM 888 CA GLU A 58 10.688 27.436 12.129 1.00 0.00 C ATOM 889 C GLU A 58 12.114 27.099 11.704 1.00 0.00 C ATOM 890 O GLU A 58 13.075 27.683 12.205 1.00 0.00 O ATOM 891 CB GLU A 58 10.455 28.944 12.023 1.00 0.00 C ATOM 892 CG GLU A 58 9.028 29.314 11.652 1.00 0.00 C ATOM 893 CD GLU A 58 8.541 30.553 12.376 1.00 0.00 C ATOM 894 OE1 GLU A 58 9.317 31.526 12.477 1.00 0.00 O ATOM 895 OE2 GLU A 58 7.382 30.551 12.842 1.00 0.00 O ATOM 0 H GLU A 58 11.196 27.131 14.140 1.00 0.00 H new ATOM 0 HA GLU A 58 9.998 26.921 11.461 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.706 29.410 12.976 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.134 29.357 11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.967 29.479 10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.368 28.479 11.884 1.00 0.00 H new ATOM 902 N SER A 59 12.242 26.154 10.780 1.00 0.00 N ATOM 903 CA SER A 59 13.551 25.740 10.287 1.00 0.00 C ATOM 904 C SER A 59 13.950 26.554 9.059 1.00 0.00 C ATOM 905 O SER A 59 14.151 26.006 7.975 1.00 0.00 O ATOM 906 CB SER A 59 13.543 24.248 9.948 1.00 0.00 C ATOM 907 OG SER A 59 14.783 23.843 9.395 1.00 0.00 O ATOM 0 H SER A 59 11.456 25.660 10.357 1.00 0.00 H new ATOM 0 HA SER A 59 14.284 25.921 11.073 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.336 23.669 10.848 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.740 24.037 9.242 1.00 0.00 H new ATOM 0 HG SER A 59 14.952 24.343 8.569 1.00 0.00 H new ATOM 913 N GLY A 60 14.061 27.866 9.237 1.00 0.00 N ATOM 914 CA GLY A 60 14.435 28.736 8.136 1.00 0.00 C ATOM 915 C GLY A 60 14.416 30.203 8.526 1.00 0.00 C ATOM 916 O GLY A 60 14.944 30.572 9.574 1.00 0.00 O ATOM 0 H GLY A 60 13.899 28.343 10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.433 28.468 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.752 28.576 7.302 1.00 0.00 H new ATOM 920 N PRO A 61 13.811 31.075 7.696 1.00 0.00 N ATOM 921 CA PRO A 61 13.738 32.511 7.981 1.00 0.00 C ATOM 922 C PRO A 61 13.214 32.799 9.383 1.00 0.00 C ATOM 923 O PRO A 61 12.209 32.231 9.811 1.00 0.00 O ATOM 924 CB PRO A 61 12.759 33.032 6.926 1.00 0.00 C ATOM 925 CG PRO A 61 12.873 32.068 5.798 1.00 0.00 C ATOM 926 CD PRO A 61 13.153 30.728 6.422 1.00 0.00 C ATOM 0 HA PRO A 61 14.719 32.984 7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.741 33.069 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.017 34.043 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.953 32.041 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.675 32.357 5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.236 30.161 6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.798 30.117 5.790 1.00 0.00 H new ATOM 934 N SER A 62 13.902 33.686 10.096 1.00 0.00 N ATOM 935 CA SER A 62 13.505 34.050 11.451 1.00 0.00 C ATOM 936 C SER A 62 13.544 35.563 11.642 1.00 0.00 C ATOM 937 O SER A 62 14.441 36.240 11.139 1.00 0.00 O ATOM 938 CB SER A 62 14.421 33.372 12.472 1.00 0.00 C ATOM 939 OG SER A 62 15.775 33.425 12.057 1.00 0.00 O ATOM 0 H SER A 62 14.736 34.165 9.758 1.00 0.00 H new ATOM 0 HA SER A 62 12.482 33.709 11.607 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.315 33.860 13.441 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.118 32.333 12.604 1.00 0.00 H new ATOM 0 HG SER A 62 16.340 32.987 12.727 1.00 0.00 H new ATOM 945 N SER A 63 12.565 36.087 12.372 1.00 0.00 N ATOM 946 CA SER A 63 12.487 37.520 12.629 1.00 0.00 C ATOM 947 C SER A 63 13.463 37.929 13.727 1.00 0.00 C ATOM 948 O SER A 63 14.096 37.082 14.357 1.00 0.00 O ATOM 949 CB SER A 63 11.062 37.912 13.026 1.00 0.00 C ATOM 950 OG SER A 63 10.583 37.095 14.080 1.00 0.00 O ATOM 0 H SER A 63 11.815 35.541 12.796 1.00 0.00 H new ATOM 0 HA SER A 63 12.758 38.043 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.042 38.957 13.334 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.403 37.821 12.163 1.00 0.00 H new ATOM 0 HG SER A 63 9.672 37.367 14.316 1.00 0.00 H new ATOM 956 N GLY A 64 13.580 39.235 13.953 1.00 0.00 N ATOM 957 CA GLY A 64 14.481 39.733 14.975 1.00 0.00 C ATOM 958 C GLY A 64 15.389 40.833 14.462 1.00 0.00 C ATOM 959 O GLY A 64 15.669 40.851 13.245 1.00 0.00 O ATOM 960 OXT GLY A 64 15.818 41.677 15.276 1.00 0.00 O ATOM 0 H GLY A 64 13.067 39.956 13.446 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.899 40.110 15.816 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.089 38.910 15.351 1.00 0.00 H new TER 964 GLY A 64