USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=21 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 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0795 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -6.24! C(o=-6.2!,f=-13!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.05 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 :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 160:sc= 0.664 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0781 F(o=-0.83,f=-0.078) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.0126 F(o=-0.65,f=-0.013) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.377 F(o=-1.2,f=-0.38) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 62 SER OG : rot 20:sc= 0.39! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.918 35.463 -17.177 1.00 0.00 N ATOM 2 CA GLY A 1 -19.502 34.526 -18.177 1.00 0.00 C ATOM 3 C GLY A 1 -18.736 33.220 -18.264 1.00 0.00 C ATOM 4 O GLY A 1 -18.154 32.902 -19.301 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.477 36.340 -17.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.932 35.020 -16.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.937 35.684 -17.440 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.539 34.319 -17.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.511 35.004 -19.156 1.00 0.00 H new ATOM 10 N SER A 2 -18.738 32.462 -17.173 1.00 0.00 N ATOM 11 CA SER A 2 -18.040 31.182 -17.129 1.00 0.00 C ATOM 12 C SER A 2 -18.953 30.083 -16.597 1.00 0.00 C ATOM 13 O SER A 2 -18.494 29.143 -15.947 1.00 0.00 O ATOM 14 CB SER A 2 -16.789 31.290 -16.254 1.00 0.00 C ATOM 15 OG SER A 2 -15.740 31.951 -16.943 1.00 0.00 O ATOM 0 H SER A 2 -19.215 32.712 -16.307 1.00 0.00 H new ATOM 0 HA SER A 2 -17.743 30.923 -18.145 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.027 31.833 -15.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.462 30.294 -15.957 1.00 0.00 H new ATOM 0 HG SER A 2 -14.953 32.009 -16.362 1.00 0.00 H new ATOM 21 N SER A 3 -20.245 30.207 -16.877 1.00 0.00 N ATOM 22 CA SER A 3 -21.222 29.223 -16.427 1.00 0.00 C ATOM 23 C SER A 3 -20.953 27.861 -17.058 1.00 0.00 C ATOM 24 O SER A 3 -20.927 26.841 -16.368 1.00 0.00 O ATOM 25 CB SER A 3 -22.639 29.686 -16.770 1.00 0.00 C ATOM 26 OG SER A 3 -22.636 30.550 -17.894 1.00 0.00 O ATOM 0 H SER A 3 -20.640 30.979 -17.413 1.00 0.00 H new ATOM 0 HA SER A 3 -21.131 29.126 -15.345 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.268 28.820 -16.975 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.074 30.200 -15.913 1.00 0.00 H new ATOM 0 HG SER A 3 -23.554 30.830 -18.094 1.00 0.00 H new ATOM 32 N GLY A 4 -20.753 27.852 -18.371 1.00 0.00 N ATOM 33 CA GLY A 4 -20.489 26.610 -19.072 1.00 0.00 C ATOM 34 C GLY A 4 -21.732 25.756 -19.227 1.00 0.00 C ATOM 35 O GLY A 4 -22.852 26.257 -19.141 1.00 0.00 O ATOM 0 H GLY A 4 -20.769 28.683 -18.962 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.080 26.833 -20.057 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.729 26.046 -18.531 1.00 0.00 H new ATOM 39 N SER A 5 -21.533 24.461 -19.455 1.00 0.00 N ATOM 40 CA SER A 5 -22.646 23.535 -19.621 1.00 0.00 C ATOM 41 C SER A 5 -22.659 22.495 -18.506 1.00 0.00 C ATOM 42 O SER A 5 -23.715 22.158 -17.970 1.00 0.00 O ATOM 43 CB SER A 5 -22.559 22.839 -20.981 1.00 0.00 C ATOM 44 OG SER A 5 -22.779 23.757 -22.038 1.00 0.00 O ATOM 0 H SER A 5 -20.611 24.030 -19.529 1.00 0.00 H new ATOM 0 HA SER A 5 -23.572 24.107 -19.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.578 22.377 -21.095 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.297 22.038 -21.031 1.00 0.00 H new ATOM 0 HG SER A 5 -22.717 23.288 -22.896 1.00 0.00 H new ATOM 50 N SER A 6 -21.480 21.990 -18.161 1.00 0.00 N ATOM 51 CA SER A 6 -21.356 20.988 -17.109 1.00 0.00 C ATOM 52 C SER A 6 -20.197 21.323 -16.174 1.00 0.00 C ATOM 53 O SER A 6 -19.556 20.431 -15.620 1.00 0.00 O ATOM 54 CB SER A 6 -21.149 19.601 -17.718 1.00 0.00 C ATOM 55 OG SER A 6 -22.320 19.156 -18.381 1.00 0.00 O ATOM 0 H SER A 6 -20.596 22.258 -18.594 1.00 0.00 H new ATOM 0 HA SER A 6 -22.280 20.989 -16.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.317 19.630 -18.422 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.879 18.893 -16.935 1.00 0.00 H new ATOM 0 HG SER A 6 -22.162 18.268 -18.763 1.00 0.00 H new ATOM 61 N GLY A 7 -19.936 22.615 -16.004 1.00 0.00 N ATOM 62 CA GLY A 7 -18.855 23.044 -15.136 1.00 0.00 C ATOM 63 C GLY A 7 -17.508 22.506 -15.577 1.00 0.00 C ATOM 64 O GLY A 7 -17.406 21.840 -16.608 1.00 0.00 O ATOM 0 H GLY A 7 -20.453 23.372 -16.451 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.819 24.133 -15.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.059 22.714 -14.117 1.00 0.00 H new ATOM 68 N VAL A 8 -16.473 22.795 -14.796 1.00 0.00 N ATOM 69 CA VAL A 8 -15.126 22.336 -15.111 1.00 0.00 C ATOM 70 C VAL A 8 -14.499 21.618 -13.922 1.00 0.00 C ATOM 71 O VAL A 8 -15.124 21.473 -12.871 1.00 0.00 O ATOM 72 CB VAL A 8 -14.216 23.507 -15.528 1.00 0.00 C ATOM 73 CG1 VAL A 8 -14.675 24.096 -16.853 1.00 0.00 C ATOM 74 CG2 VAL A 8 -14.188 24.573 -14.443 1.00 0.00 C ATOM 0 H VAL A 8 -16.541 23.345 -13.940 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.216 21.641 -15.946 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.203 23.127 -15.659 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.020 24.922 -17.131 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.637 23.328 -17.625 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.697 24.461 -16.754 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.540 25.392 -14.755 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.197 24.951 -14.278 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.807 24.141 -13.518 1.00 0.00 H new ATOM 84 N THR A 9 -13.260 21.169 -14.093 1.00 0.00 N ATOM 85 CA THR A 9 -12.547 20.466 -13.032 1.00 0.00 C ATOM 86 C THR A 9 -13.271 19.179 -12.652 1.00 0.00 C ATOM 87 O THR A 9 -14.102 19.167 -11.743 1.00 0.00 O ATOM 88 CB THR A 9 -12.400 21.364 -11.804 1.00 0.00 C ATOM 89 OG1 THR A 9 -12.026 22.676 -12.184 1.00 0.00 O ATOM 90 CG2 THR A 9 -11.370 20.860 -10.815 1.00 0.00 C ATOM 0 H THR A 9 -12.728 21.279 -14.956 1.00 0.00 H new ATOM 0 HA THR A 9 -11.555 20.208 -13.404 1.00 0.00 H new ATOM 0 HB THR A 9 -13.377 21.357 -11.322 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.939 23.236 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 9 -11.315 21.543 -9.967 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.657 19.869 -10.465 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.396 20.805 -11.301 1.00 0.00 H new ATOM 98 N TYR A 10 -12.951 18.097 -13.354 1.00 0.00 N ATOM 99 CA TYR A 10 -13.570 16.804 -13.089 1.00 0.00 C ATOM 100 C TYR A 10 -12.627 15.664 -13.467 1.00 0.00 C ATOM 101 O TYR A 10 -13.067 14.588 -13.869 1.00 0.00 O ATOM 102 CB TYR A 10 -14.883 16.677 -13.866 1.00 0.00 C ATOM 103 CG TYR A 10 -16.104 16.568 -12.979 1.00 0.00 C ATOM 104 CD1 TYR A 10 -16.210 15.556 -12.033 1.00 0.00 C ATOM 105 CD2 TYR A 10 -17.149 17.476 -13.089 1.00 0.00 C ATOM 106 CE1 TYR A 10 -17.325 15.453 -11.222 1.00 0.00 C ATOM 107 CE2 TYR A 10 -18.267 17.379 -12.282 1.00 0.00 C ATOM 108 CZ TYR A 10 -18.349 16.366 -11.350 1.00 0.00 C ATOM 109 OH TYR A 10 -19.461 16.266 -10.544 1.00 0.00 O ATOM 0 H TYR A 10 -12.267 18.090 -14.110 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.780 16.739 -12.021 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.994 17.543 -14.519 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.832 15.798 -14.509 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -15.409 14.839 -11.930 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.087 18.271 -13.817 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -17.393 14.660 -10.491 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -19.072 18.093 -12.381 1.00 0.00 H new ATOM 0 HH TYR A 10 -20.088 16.987 -10.761 1.00 0.00 H new ATOM 119 N ASP A 11 -11.328 15.911 -13.332 1.00 0.00 N ATOM 120 CA ASP A 11 -10.322 14.907 -13.659 1.00 0.00 C ATOM 121 C ASP A 11 -9.198 14.907 -12.627 1.00 0.00 C ATOM 122 O ASP A 11 -8.118 15.447 -12.869 1.00 0.00 O ATOM 123 CB ASP A 11 -9.750 15.164 -15.055 1.00 0.00 C ATOM 124 CG ASP A 11 -10.342 14.239 -16.101 1.00 0.00 C ATOM 125 OD1 ASP A 11 -10.272 13.007 -15.912 1.00 0.00 O ATOM 126 OD2 ASP A 11 -10.877 14.749 -17.109 1.00 0.00 O ATOM 0 H ASP A 11 -10.948 16.797 -12.999 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.802 13.929 -13.646 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.942 16.199 -15.339 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.668 15.035 -15.031 1.00 0.00 H new ATOM 131 N ASP A 12 -9.460 14.298 -11.476 1.00 0.00 N ATOM 132 CA ASP A 12 -8.471 14.227 -10.406 1.00 0.00 C ATOM 133 C ASP A 12 -8.677 12.976 -9.559 1.00 0.00 C ATOM 134 O ASP A 12 -8.417 12.979 -8.356 1.00 0.00 O ATOM 135 CB ASP A 12 -8.553 15.473 -9.524 1.00 0.00 C ATOM 136 CG ASP A 12 -8.286 16.749 -10.298 1.00 0.00 C ATOM 137 OD1 ASP A 12 -9.203 17.218 -11.004 1.00 0.00 O ATOM 138 OD2 ASP A 12 -7.160 17.279 -10.198 1.00 0.00 O ATOM 0 H ASP A 12 -10.349 13.846 -11.260 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.482 14.178 -10.861 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.542 15.528 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.832 15.387 -8.711 1.00 0.00 H new ATOM 143 N VAL A 13 -9.147 11.909 -10.196 1.00 0.00 N ATOM 144 CA VAL A 13 -9.389 10.651 -9.501 1.00 0.00 C ATOM 145 C VAL A 13 -8.440 9.561 -9.992 1.00 0.00 C ATOM 146 O VAL A 13 -8.848 8.638 -10.698 1.00 0.00 O ATOM 147 CB VAL A 13 -10.843 10.176 -9.687 1.00 0.00 C ATOM 148 CG1 VAL A 13 -11.789 11.004 -8.831 1.00 0.00 C ATOM 149 CG2 VAL A 13 -11.242 10.242 -11.154 1.00 0.00 C ATOM 0 H VAL A 13 -9.368 11.891 -11.192 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.209 10.834 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.912 9.138 -9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.811 10.654 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.515 10.900 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.720 12.052 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.272 9.903 -11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.157 11.269 -11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.583 9.601 -11.740 1.00 0.00 H new ATOM 159 N HIS A 14 -7.172 9.677 -9.614 1.00 0.00 N ATOM 160 CA HIS A 14 -6.162 8.703 -10.015 1.00 0.00 C ATOM 161 C HIS A 14 -5.752 7.827 -8.836 1.00 0.00 C ATOM 162 O HIS A 14 -4.956 8.238 -7.991 1.00 0.00 O ATOM 163 CB HIS A 14 -4.935 9.417 -10.586 1.00 0.00 C ATOM 164 CG HIS A 14 -4.166 8.592 -11.572 1.00 0.00 C ATOM 165 ND1 HIS A 14 -4.378 8.657 -12.933 1.00 0.00 N ATOM 166 CD2 HIS A 14 -3.182 7.681 -11.389 1.00 0.00 C ATOM 167 CE1 HIS A 14 -3.557 7.820 -13.544 1.00 0.00 C ATOM 168 NE2 HIS A 14 -2.821 7.216 -12.629 1.00 0.00 N ATOM 0 H HIS A 14 -6.818 10.435 -9.031 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.594 8.064 -10.785 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.254 10.341 -11.069 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.274 9.698 -9.766 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.759 7.376 -10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.498 7.658 -14.610 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.101 6.517 -12.814 1.00 0.00 H new ATOM 176 N MET A 15 -6.301 6.618 -8.786 1.00 0.00 N ATOM 177 CA MET A 15 -5.992 5.683 -7.710 1.00 0.00 C ATOM 178 C MET A 15 -6.388 6.261 -6.355 1.00 0.00 C ATOM 179 O MET A 15 -5.641 6.157 -5.382 1.00 0.00 O ATOM 180 CB MET A 15 -4.501 5.340 -7.718 1.00 0.00 C ATOM 181 CG MET A 15 -4.062 4.561 -8.946 1.00 0.00 C ATOM 182 SD MET A 15 -2.750 3.376 -8.586 1.00 0.00 S ATOM 183 CE MET A 15 -3.029 2.161 -9.872 1.00 0.00 C ATOM 0 H MET A 15 -6.962 6.263 -9.477 1.00 0.00 H new ATOM 0 HA MET A 15 -6.568 4.772 -7.876 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.924 6.263 -7.658 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.266 4.759 -6.826 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.920 4.032 -9.362 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.717 5.258 -9.709 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.294 1.361 -9.782 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.032 1.746 -9.769 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.931 2.636 -10.848 1.00 0.00 H new ATOM 193 N ASN A 16 -7.568 6.871 -6.301 1.00 0.00 N ATOM 194 CA ASN A 16 -8.065 7.467 -5.065 1.00 0.00 C ATOM 195 C ASN A 16 -9.349 6.782 -4.610 1.00 0.00 C ATOM 196 O ASN A 16 -10.218 7.409 -4.004 1.00 0.00 O ATOM 197 CB ASN A 16 -8.311 8.964 -5.260 1.00 0.00 C ATOM 198 CG ASN A 16 -9.379 9.244 -6.300 1.00 0.00 C ATOM 199 OD1 ASN A 16 -9.279 8.802 -7.444 1.00 0.00 O ATOM 200 ND2 ASN A 16 -10.408 9.985 -5.905 1.00 0.00 N ATOM 0 H ASN A 16 -8.198 6.966 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.308 7.329 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.608 9.407 -4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.381 9.446 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.157 10.209 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.449 10.330 -4.946 1.00 0.00 H new ATOM 207 N PHE A 17 -9.462 5.491 -4.906 1.00 0.00 N ATOM 208 CA PHE A 17 -10.641 4.720 -4.528 1.00 0.00 C ATOM 209 C PHE A 17 -10.834 4.725 -3.014 1.00 0.00 C ATOM 210 O PHE A 17 -9.990 4.227 -2.270 1.00 0.00 O ATOM 211 CB PHE A 17 -10.520 3.283 -5.036 1.00 0.00 C ATOM 212 CG PHE A 17 -10.142 3.189 -6.486 1.00 0.00 C ATOM 213 CD1 PHE A 17 -11.027 3.595 -7.473 1.00 0.00 C ATOM 214 CD2 PHE A 17 -8.904 2.695 -6.863 1.00 0.00 C ATOM 215 CE1 PHE A 17 -10.684 3.511 -8.809 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.555 2.607 -8.199 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.445 3.016 -9.171 1.00 0.00 C ATOM 0 H PHE A 17 -8.752 4.957 -5.406 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.512 5.187 -4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.774 2.757 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.470 2.771 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.996 3.982 -7.194 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.204 2.375 -6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.382 3.831 -9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.587 2.219 -8.481 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.174 2.949 -10.214 1.00 0.00 H new ATOM 227 N THR A 18 -11.950 5.290 -2.568 1.00 0.00 N ATOM 228 CA THR A 18 -12.255 5.359 -1.143 1.00 0.00 C ATOM 229 C THR A 18 -12.798 4.026 -0.638 1.00 0.00 C ATOM 230 O THR A 18 -12.884 3.055 -1.390 1.00 0.00 O ATOM 231 CB THR A 18 -13.270 6.471 -0.872 1.00 0.00 C ATOM 232 OG1 THR A 18 -14.265 6.499 -1.881 1.00 0.00 O ATOM 233 CG2 THR A 18 -12.646 7.848 -0.805 1.00 0.00 C ATOM 0 H THR A 18 -12.659 5.707 -3.172 1.00 0.00 H new ATOM 0 HA THR A 18 -11.331 5.580 -0.609 1.00 0.00 H new ATOM 0 HB THR A 18 -13.701 6.237 0.102 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.906 7.215 -1.689 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.421 8.590 -0.610 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.909 7.875 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.159 8.073 -1.754 1.00 0.00 H new ATOM 241 N GLU A 19 -13.163 3.986 0.640 1.00 0.00 N ATOM 242 CA GLU A 19 -13.698 2.772 1.246 1.00 0.00 C ATOM 243 C GLU A 19 -14.927 2.280 0.487 1.00 0.00 C ATOM 244 O GLU A 19 -15.164 1.076 0.384 1.00 0.00 O ATOM 245 CB GLU A 19 -14.056 3.024 2.713 1.00 0.00 C ATOM 246 CG GLU A 19 -13.667 1.883 3.638 1.00 0.00 C ATOM 247 CD GLU A 19 -13.651 2.297 5.098 1.00 0.00 C ATOM 248 OE1 GLU A 19 -14.728 2.287 5.729 1.00 0.00 O ATOM 249 OE2 GLU A 19 -12.561 2.631 5.608 1.00 0.00 O ATOM 0 H GLU A 19 -13.098 4.781 1.276 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.929 2.001 1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.562 3.936 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.130 3.195 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.367 1.058 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.681 1.513 3.358 1.00 0.00 H new ATOM 256 N GLU A 20 -15.703 3.218 -0.044 1.00 0.00 N ATOM 257 CA GLU A 20 -16.906 2.880 -0.795 1.00 0.00 C ATOM 258 C GLU A 20 -16.550 2.350 -2.180 1.00 0.00 C ATOM 259 O GLU A 20 -17.012 1.284 -2.586 1.00 0.00 O ATOM 260 CB GLU A 20 -17.815 4.103 -0.923 1.00 0.00 C ATOM 261 CG GLU A 20 -18.552 4.451 0.361 1.00 0.00 C ATOM 262 CD GLU A 20 -17.871 5.555 1.143 1.00 0.00 C ATOM 263 OE1 GLU A 20 -17.521 6.587 0.532 1.00 0.00 O ATOM 264 OE2 GLU A 20 -17.687 5.389 2.368 1.00 0.00 O ATOM 0 H GLU A 20 -15.520 4.219 0.032 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.436 2.099 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.216 4.960 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.544 3.922 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.570 4.757 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.626 3.561 0.986 1.00 0.00 H new ATOM 271 N GLU A 21 -15.724 3.101 -2.900 1.00 0.00 N ATOM 272 CA GLU A 21 -15.303 2.707 -4.240 1.00 0.00 C ATOM 273 C GLU A 21 -14.542 1.386 -4.203 1.00 0.00 C ATOM 274 O GLU A 21 -14.579 0.610 -5.159 1.00 0.00 O ATOM 275 CB GLU A 21 -14.428 3.797 -4.863 1.00 0.00 C ATOM 276 CG GLU A 21 -15.204 4.779 -5.724 1.00 0.00 C ATOM 277 CD GLU A 21 -14.303 5.610 -6.617 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.446 6.342 -6.079 1.00 0.00 O ATOM 279 OE2 GLU A 21 -14.455 5.529 -7.854 1.00 0.00 O ATOM 0 H GLU A 21 -15.332 3.986 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.196 2.574 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.922 4.344 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.653 3.328 -5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.916 4.231 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.783 5.442 -5.081 1.00 0.00 H new ATOM 286 N TRP A 22 -13.855 1.133 -3.095 1.00 0.00 N ATOM 287 CA TRP A 22 -13.085 -0.096 -2.934 1.00 0.00 C ATOM 288 C TRP A 22 -13.980 -1.323 -3.086 1.00 0.00 C ATOM 289 O TRP A 22 -13.524 -2.387 -3.506 1.00 0.00 O ATOM 290 CB TRP A 22 -12.401 -0.118 -1.566 1.00 0.00 C ATOM 291 CG TRP A 22 -11.438 -1.254 -1.401 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.616 -2.373 -0.641 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.147 -1.380 -2.008 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.514 -3.190 -0.739 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.600 -2.602 -1.572 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.401 -0.580 -2.878 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.340 -3.040 -1.977 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.152 -1.017 -3.279 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.633 -2.237 -2.829 1.00 0.00 C ATOM 0 H TRP A 22 -13.815 1.763 -2.294 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.325 -0.123 -3.714 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.871 0.823 -1.418 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.162 -0.181 -0.788 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.494 -2.586 -0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.397 -4.087 -0.268 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.793 0.363 -3.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.937 -3.980 -1.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.567 -0.407 -3.951 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.654 -2.550 -3.161 1.00 0.00 H new ATOM 310 N ASP A 23 -15.254 -1.167 -2.742 1.00 0.00 N ATOM 311 CA ASP A 23 -16.212 -2.263 -2.841 1.00 0.00 C ATOM 312 C ASP A 23 -16.749 -2.393 -4.264 1.00 0.00 C ATOM 313 O ASP A 23 -17.155 -3.477 -4.687 1.00 0.00 O ATOM 314 CB ASP A 23 -17.371 -2.044 -1.866 1.00 0.00 C ATOM 315 CG ASP A 23 -17.036 -2.498 -0.460 1.00 0.00 C ATOM 316 OD1 ASP A 23 -16.846 -3.716 -0.258 1.00 0.00 O ATOM 317 OD2 ASP A 23 -16.964 -1.636 0.441 1.00 0.00 O ATOM 0 H ASP A 23 -15.647 -0.293 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.695 -3.187 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.634 -0.986 -1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.248 -2.586 -2.221 1.00 0.00 H new ATOM 322 N LEU A 24 -16.750 -1.285 -4.999 1.00 0.00 N ATOM 323 CA LEU A 24 -17.239 -1.280 -6.374 1.00 0.00 C ATOM 324 C LEU A 24 -16.096 -1.473 -7.368 1.00 0.00 C ATOM 325 O LEU A 24 -16.226 -1.141 -8.546 1.00 0.00 O ATOM 326 CB LEU A 24 -17.971 0.031 -6.672 1.00 0.00 C ATOM 327 CG LEU A 24 -18.843 0.561 -5.533 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.974 2.073 -5.620 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.214 -0.098 -5.562 1.00 0.00 C ATOM 0 H LEU A 24 -16.418 -0.380 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 24 -17.933 -2.113 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.233 0.791 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.598 -0.113 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.362 0.313 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.598 2.432 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.986 2.528 -5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.432 2.344 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.822 0.290 -4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.702 0.119 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.102 -1.176 -5.450 1.00 0.00 H new ATOM 341 N LEU A 25 -14.979 -2.012 -6.888 1.00 0.00 N ATOM 342 CA LEU A 25 -13.819 -2.247 -7.741 1.00 0.00 C ATOM 343 C LEU A 25 -13.751 -3.706 -8.175 1.00 0.00 C ATOM 344 O LEU A 25 -14.352 -4.580 -7.548 1.00 0.00 O ATOM 345 CB LEU A 25 -12.534 -1.859 -7.008 1.00 0.00 C ATOM 346 CG LEU A 25 -12.169 -0.376 -7.082 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.923 -0.091 -6.257 1.00 0.00 C ATOM 348 CD2 LEU A 25 -11.963 0.051 -8.527 1.00 0.00 C ATOM 0 H LEU A 25 -14.853 -2.293 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 25 -13.922 -1.627 -8.631 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.632 -2.141 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.709 -2.441 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.994 0.203 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.678 0.969 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.107 -0.358 -5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.090 -0.680 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.704 1.109 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.156 -0.534 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.881 -0.116 -9.090 1.00 0.00 H new ATOM 360 N ASP A 26 -13.016 -3.966 -9.251 1.00 0.00 N ATOM 361 CA ASP A 26 -12.870 -5.321 -9.770 1.00 0.00 C ATOM 362 C ASP A 26 -11.790 -6.083 -9.009 1.00 0.00 C ATOM 363 O ASP A 26 -11.154 -5.542 -8.105 1.00 0.00 O ATOM 364 CB ASP A 26 -12.531 -5.284 -11.261 1.00 0.00 C ATOM 365 CG ASP A 26 -13.607 -4.603 -12.082 1.00 0.00 C ATOM 366 OD1 ASP A 26 -14.797 -4.739 -11.729 1.00 0.00 O ATOM 367 OD2 ASP A 26 -13.260 -3.935 -13.079 1.00 0.00 O ATOM 0 H ASP A 26 -12.512 -3.255 -9.781 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.819 -5.840 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.585 -4.762 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.391 -6.302 -11.624 1.00 0.00 H new ATOM 372 N SER A 27 -11.588 -7.343 -9.384 1.00 0.00 N ATOM 373 CA SER A 27 -10.584 -8.181 -8.738 1.00 0.00 C ATOM 374 C SER A 27 -9.176 -7.727 -9.110 1.00 0.00 C ATOM 375 O SER A 27 -8.241 -7.864 -8.322 1.00 0.00 O ATOM 376 CB SER A 27 -10.783 -9.645 -9.134 1.00 0.00 C ATOM 377 OG SER A 27 -11.568 -10.332 -8.174 1.00 0.00 O ATOM 0 H SER A 27 -12.106 -7.805 -10.131 1.00 0.00 H new ATOM 0 HA SER A 27 -10.703 -8.084 -7.659 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.267 -9.698 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.813 -10.133 -9.232 1.00 0.00 H new ATOM 0 HG SER A 27 -11.682 -11.265 -8.452 1.00 0.00 H new ATOM 383 N SER A 28 -9.034 -7.185 -10.316 1.00 0.00 N ATOM 384 CA SER A 28 -7.739 -6.710 -10.792 1.00 0.00 C ATOM 385 C SER A 28 -7.361 -5.396 -10.116 1.00 0.00 C ATOM 386 O SER A 28 -6.184 -5.124 -9.881 1.00 0.00 O ATOM 387 CB SER A 28 -7.767 -6.529 -12.310 1.00 0.00 C ATOM 388 OG SER A 28 -6.557 -6.976 -12.900 1.00 0.00 O ATOM 0 H SER A 28 -9.798 -7.064 -10.980 1.00 0.00 H new ATOM 0 HA SER A 28 -6.988 -7.457 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.606 -7.083 -12.730 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.926 -5.478 -12.551 1.00 0.00 H new ATOM 0 HG SER A 28 -6.601 -6.851 -13.871 1.00 0.00 H new ATOM 394 N GLN A 29 -8.367 -4.585 -9.807 1.00 0.00 N ATOM 395 CA GLN A 29 -8.142 -3.298 -9.159 1.00 0.00 C ATOM 396 C GLN A 29 -7.746 -3.489 -7.698 1.00 0.00 C ATOM 397 O GLN A 29 -6.802 -2.865 -7.213 1.00 0.00 O ATOM 398 CB GLN A 29 -9.398 -2.430 -9.249 1.00 0.00 C ATOM 399 CG GLN A 29 -9.988 -2.357 -10.648 1.00 0.00 C ATOM 400 CD GLN A 29 -9.360 -1.263 -11.490 1.00 0.00 C ATOM 401 OE1 GLN A 29 -9.781 -0.025 -11.260 1.00 0.00 O flip ATOM 402 NE2 GLN A 29 -8.507 -1.528 -12.337 1.00 0.00 N flip ATOM 0 H GLN A 29 -9.347 -4.796 -9.995 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.325 -2.796 -9.677 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.151 -2.823 -8.566 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.158 -1.422 -8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.852 -3.317 -11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.062 -2.184 -10.577 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.213 -2.494 -12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.094 -0.781 -12.896 1.00 0.00 H new ATOM 411 N LYS A 30 -8.476 -4.354 -7.001 1.00 0.00 N ATOM 412 CA LYS A 30 -8.204 -4.628 -5.596 1.00 0.00 C ATOM 413 C LYS A 30 -6.794 -5.182 -5.409 1.00 0.00 C ATOM 414 O LYS A 30 -6.172 -4.982 -4.366 1.00 0.00 O ATOM 415 CB LYS A 30 -9.235 -5.616 -5.043 1.00 0.00 C ATOM 416 CG LYS A 30 -10.310 -4.960 -4.193 1.00 0.00 C ATOM 417 CD LYS A 30 -11.292 -5.984 -3.649 1.00 0.00 C ATOM 418 CE LYS A 30 -12.471 -5.316 -2.961 1.00 0.00 C ATOM 419 NZ LYS A 30 -12.884 -6.046 -1.730 1.00 0.00 N ATOM 0 H LYS A 30 -9.261 -4.877 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.277 -3.690 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.709 -6.137 -5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.721 -6.369 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.845 -4.425 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.846 -4.221 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.653 -6.612 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.782 -6.640 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.207 -4.290 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.313 -5.265 -3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.691 -5.558 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.161 -7.017 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.089 -6.073 -1.060 1.00 0.00 H new ATOM 433 N ARG A 31 -6.298 -5.883 -6.424 1.00 0.00 N ATOM 434 CA ARG A 31 -4.964 -6.467 -6.369 1.00 0.00 C ATOM 435 C ARG A 31 -3.916 -5.494 -6.904 1.00 0.00 C ATOM 436 O ARG A 31 -2.758 -5.523 -6.488 1.00 0.00 O ATOM 437 CB ARG A 31 -4.921 -7.771 -7.167 1.00 0.00 C ATOM 438 CG ARG A 31 -3.788 -8.698 -6.759 1.00 0.00 C ATOM 439 CD ARG A 31 -2.499 -8.356 -7.488 1.00 0.00 C ATOM 440 NE ARG A 31 -1.758 -9.552 -7.881 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.057 -10.293 -8.947 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.080 -9.963 -9.727 1.00 0.00 N ATOM 443 NH2 ARG A 31 -1.333 -11.365 -9.233 1.00 0.00 N ATOM 0 H ARG A 31 -6.800 -6.060 -7.294 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.734 -6.680 -5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.869 -8.294 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.823 -7.535 -8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.628 -8.628 -5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.066 -9.730 -6.973 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.730 -7.765 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.873 -7.736 -6.846 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.965 -9.836 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.641 -9.139 -9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.305 -10.534 -10.542 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.547 -11.623 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.562 -11.932 -10.049 1.00 0.00 H new ATOM 457 N LEU A 32 -4.331 -4.635 -7.830 1.00 0.00 N ATOM 458 CA LEU A 32 -3.428 -3.655 -8.422 1.00 0.00 C ATOM 459 C LEU A 32 -3.110 -2.540 -7.432 1.00 0.00 C ATOM 460 O LEU A 32 -1.981 -2.054 -7.370 1.00 0.00 O ATOM 461 CB LEU A 32 -4.044 -3.066 -9.690 1.00 0.00 C ATOM 462 CG LEU A 32 -3.839 -3.898 -10.956 1.00 0.00 C ATOM 463 CD1 LEU A 32 -4.940 -3.613 -11.967 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.473 -3.619 -11.561 1.00 0.00 C ATOM 0 H LEU A 32 -5.286 -4.598 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.499 -4.163 -8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.114 -2.935 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.623 -2.074 -9.853 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.886 -4.953 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.777 -4.214 -12.861 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.907 -3.864 -11.532 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.925 -2.556 -12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.344 -4.220 -12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.397 -2.562 -11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.697 -3.875 -10.840 1.00 0.00 H new ATOM 476 N TYR A 33 -4.113 -2.140 -6.660 1.00 0.00 N ATOM 477 CA TYR A 33 -3.942 -1.082 -5.671 1.00 0.00 C ATOM 478 C TYR A 33 -3.070 -1.552 -4.510 1.00 0.00 C ATOM 479 O TYR A 33 -2.461 -0.741 -3.813 1.00 0.00 O ATOM 480 CB TYR A 33 -5.304 -0.621 -5.147 1.00 0.00 C ATOM 481 CG TYR A 33 -5.287 0.773 -4.562 1.00 0.00 C ATOM 482 CD1 TYR A 33 -4.689 1.024 -3.333 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.867 1.839 -5.239 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.671 2.296 -2.795 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.853 3.114 -4.707 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.255 3.338 -3.485 1.00 0.00 C ATOM 487 OH TYR A 33 -5.237 4.607 -2.953 1.00 0.00 O ATOM 0 H TYR A 33 -5.054 -2.532 -6.699 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.443 -0.244 -6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.028 -0.656 -5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.647 -1.321 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.231 0.211 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.336 1.668 -6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.202 2.474 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.308 3.932 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.380 5.263 -3.667 1.00 0.00 H new ATOM 497 N GLU A 34 -3.014 -2.865 -4.307 1.00 0.00 N ATOM 498 CA GLU A 34 -2.214 -3.437 -3.230 1.00 0.00 C ATOM 499 C GLU A 34 -0.786 -3.706 -3.697 1.00 0.00 C ATOM 500 O GLU A 34 0.153 -3.678 -2.901 1.00 0.00 O ATOM 501 CB GLU A 34 -2.853 -4.734 -2.726 1.00 0.00 C ATOM 502 CG GLU A 34 -3.667 -4.556 -1.454 1.00 0.00 C ATOM 503 CD GLU A 34 -3.589 -5.762 -0.539 1.00 0.00 C ATOM 504 OE1 GLU A 34 -4.246 -6.780 -0.842 1.00 0.00 O ATOM 505 OE2 GLU A 34 -2.871 -5.690 0.479 1.00 0.00 O ATOM 0 H GLU A 34 -3.512 -3.552 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.179 -2.716 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.497 -5.139 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.069 -5.470 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.311 -3.675 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.709 -4.370 -1.716 1.00 0.00 H new ATOM 512 N GLU A 35 -0.631 -3.967 -4.991 1.00 0.00 N ATOM 513 CA GLU A 35 0.681 -4.242 -5.564 1.00 0.00 C ATOM 514 C GLU A 35 1.629 -3.067 -5.347 1.00 0.00 C ATOM 515 O GLU A 35 2.819 -3.256 -5.093 1.00 0.00 O ATOM 516 CB GLU A 35 0.553 -4.537 -7.059 1.00 0.00 C ATOM 517 CG GLU A 35 0.111 -5.959 -7.362 1.00 0.00 C ATOM 518 CD GLU A 35 1.196 -6.779 -8.035 1.00 0.00 C ATOM 519 OE1 GLU A 35 1.948 -6.209 -8.852 1.00 0.00 O ATOM 520 OE2 GLU A 35 1.292 -7.989 -7.744 1.00 0.00 O ATOM 0 H GLU A 35 -1.398 -3.994 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 35 1.094 -5.116 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.162 -3.842 -7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.513 -4.353 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.186 -6.448 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.769 -5.932 -8.004 1.00 0.00 H new ATOM 527 N VAL A 36 1.095 -1.854 -5.449 1.00 0.00 N ATOM 528 CA VAL A 36 1.894 -0.649 -5.265 1.00 0.00 C ATOM 529 C VAL A 36 2.216 -0.419 -3.793 1.00 0.00 C ATOM 530 O VAL A 36 3.291 0.074 -3.451 1.00 0.00 O ATOM 531 CB VAL A 36 1.174 0.594 -5.822 1.00 0.00 C ATOM 532 CG1 VAL A 36 0.994 0.478 -7.328 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.167 0.790 -5.130 1.00 0.00 C ATOM 0 H VAL A 36 0.112 -1.680 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 36 2.822 -0.800 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 36 1.792 1.469 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.484 1.365 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.970 0.392 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.399 -0.406 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.661 1.673 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.794 -0.086 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.008 0.924 -4.060 1.00 0.00 H new ATOM 543 N MET A 37 1.277 -0.778 -2.923 1.00 0.00 N ATOM 544 CA MET A 37 1.462 -0.608 -1.487 1.00 0.00 C ATOM 545 C MET A 37 2.504 -1.584 -0.952 1.00 0.00 C ATOM 546 O MET A 37 3.391 -1.203 -0.188 1.00 0.00 O ATOM 547 CB MET A 37 0.133 -0.810 -0.754 1.00 0.00 C ATOM 548 CG MET A 37 -0.630 0.483 -0.512 1.00 0.00 C ATOM 549 SD MET A 37 -1.340 0.574 1.142 1.00 0.00 S ATOM 550 CE MET A 37 -0.614 2.098 1.740 1.00 0.00 C ATOM 0 H MET A 37 0.381 -1.188 -3.188 1.00 0.00 H new ATOM 0 HA MET A 37 1.818 0.407 -1.310 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.493 -1.489 -1.334 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.325 -1.294 0.204 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.041 1.329 -0.662 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.427 0.573 -1.250 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.959 2.292 2.756 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.472 2.009 1.737 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.913 2.922 1.092 1.00 0.00 H new ATOM 560 N LEU A 38 2.392 -2.845 -1.357 1.00 0.00 N ATOM 561 CA LEU A 38 3.326 -3.875 -0.918 1.00 0.00 C ATOM 562 C LEU A 38 4.753 -3.528 -1.329 1.00 0.00 C ATOM 563 O LEU A 38 5.711 -3.885 -0.643 1.00 0.00 O ATOM 564 CB LEU A 38 2.931 -5.233 -1.501 1.00 0.00 C ATOM 565 CG LEU A 38 1.604 -5.797 -0.988 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.239 -7.068 -1.740 1.00 0.00 C ATOM 567 CD2 LEU A 38 1.682 -6.063 0.507 1.00 0.00 C ATOM 0 H LEU A 38 1.664 -3.178 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 38 3.284 -3.928 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.875 -5.143 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.722 -5.950 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 38 0.823 -5.058 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.293 -7.455 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.142 -6.847 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.020 -7.814 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.730 -6.464 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.474 -6.784 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.897 -5.132 1.031 1.00 0.00 H new ATOM 579 N GLU A 39 4.887 -2.829 -2.451 1.00 0.00 N ATOM 580 CA GLU A 39 6.198 -2.432 -2.952 1.00 0.00 C ATOM 581 C GLU A 39 6.810 -1.348 -2.071 1.00 0.00 C ATOM 582 O GLU A 39 8.002 -1.383 -1.764 1.00 0.00 O ATOM 583 CB GLU A 39 6.086 -1.937 -4.397 1.00 0.00 C ATOM 584 CG GLU A 39 6.817 -2.816 -5.398 1.00 0.00 C ATOM 585 CD GLU A 39 6.779 -2.251 -6.805 1.00 0.00 C ATOM 586 OE1 GLU A 39 5.798 -1.553 -7.139 1.00 0.00 O ATOM 587 OE2 GLU A 39 7.730 -2.506 -7.573 1.00 0.00 O ATOM 0 H GLU A 39 4.104 -2.526 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 39 6.851 -3.304 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.033 -1.884 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.483 -0.924 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.855 -2.932 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.371 -3.810 -5.397 1.00 0.00 H new ATOM 594 N THR A 40 5.989 -0.384 -1.669 1.00 0.00 N ATOM 595 CA THR A 40 6.449 0.711 -0.823 1.00 0.00 C ATOM 596 C THR A 40 5.970 0.527 0.614 1.00 0.00 C ATOM 597 O THR A 40 5.176 1.319 1.122 1.00 0.00 O ATOM 598 CB THR A 40 5.956 2.050 -1.374 1.00 0.00 C ATOM 599 OG1 THR A 40 5.960 2.041 -2.790 1.00 0.00 O ATOM 600 CG2 THR A 40 6.790 3.227 -0.919 1.00 0.00 C ATOM 0 H THR A 40 5.000 -0.339 -1.916 1.00 0.00 H new ATOM 0 HA THR A 40 7.539 0.707 -0.825 1.00 0.00 H new ATOM 0 HB THR A 40 4.945 2.169 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.640 2.905 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.386 4.145 -1.345 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.766 3.291 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.819 3.094 -1.252 1.00 0.00 H new ATOM 608 N TYR A 41 6.459 -0.524 1.265 1.00 0.00 N ATOM 609 CA TYR A 41 6.083 -0.813 2.644 1.00 0.00 C ATOM 610 C TYR A 41 7.076 -1.774 3.287 1.00 0.00 C ATOM 611 O TYR A 41 7.799 -1.406 4.215 1.00 0.00 O ATOM 612 CB TYR A 41 4.674 -1.406 2.696 1.00 0.00 C ATOM 613 CG TYR A 41 4.044 -1.352 4.069 1.00 0.00 C ATOM 614 CD1 TYR A 41 4.122 -0.202 4.845 1.00 0.00 C ATOM 615 CD2 TYR A 41 3.372 -2.451 4.590 1.00 0.00 C ATOM 616 CE1 TYR A 41 3.547 -0.148 6.101 1.00 0.00 C ATOM 617 CE2 TYR A 41 2.795 -2.404 5.845 1.00 0.00 C ATOM 618 CZ TYR A 41 2.885 -1.251 6.596 1.00 0.00 C ATOM 619 OH TYR A 41 2.312 -1.202 7.846 1.00 0.00 O ATOM 0 H TYR A 41 7.117 -1.190 0.859 1.00 0.00 H new ATOM 0 HA TYR A 41 6.096 0.123 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.037 -0.870 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.713 -2.444 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.640 0.664 4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.299 -3.356 4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.616 0.754 6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.276 -3.267 6.236 1.00 0.00 H new ATOM 0 HH TYR A 41 1.884 -2.061 8.044 1.00 0.00 H new ATOM 629 N GLN A 42 7.109 -3.005 2.790 1.00 0.00 N ATOM 630 CA GLN A 42 8.016 -4.018 3.314 1.00 0.00 C ATOM 631 C GLN A 42 9.438 -3.790 2.812 1.00 0.00 C ATOM 632 O GLN A 42 10.408 -4.169 3.470 1.00 0.00 O ATOM 633 CB GLN A 42 7.541 -5.416 2.912 1.00 0.00 C ATOM 634 CG GLN A 42 6.161 -5.767 3.446 1.00 0.00 C ATOM 635 CD GLN A 42 5.626 -7.062 2.868 1.00 0.00 C ATOM 636 OE1 GLN A 42 5.312 -8.000 3.600 1.00 0.00 O ATOM 637 NE2 GLN A 42 5.517 -7.119 1.545 1.00 0.00 N ATOM 0 H GLN A 42 6.517 -3.326 2.024 1.00 0.00 H new ATOM 0 HA GLN A 42 8.017 -3.939 4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.530 -5.488 1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.259 -6.152 3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.205 -5.849 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.469 -4.957 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.789 -6.317 0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.161 -7.964 1.099 1.00 0.00 H new ATOM 646 N ASN A 43 9.556 -3.170 1.642 1.00 0.00 N ATOM 647 CA ASN A 43 10.861 -2.891 1.052 1.00 0.00 C ATOM 648 C ASN A 43 11.278 -1.449 1.317 1.00 0.00 C ATOM 649 O ASN A 43 11.899 -0.806 0.471 1.00 0.00 O ATOM 650 CB ASN A 43 10.831 -3.160 -0.452 1.00 0.00 C ATOM 651 CG ASN A 43 10.504 -4.605 -0.771 1.00 0.00 C ATOM 652 OD1 ASN A 43 9.262 -4.999 -0.521 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 11.359 -5.358 -1.238 1.00 0.00 N flip ATOM 0 H ASN A 43 8.764 -2.851 1.084 1.00 0.00 H new ATOM 0 HA ASN A 43 11.593 -3.552 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.092 -2.510 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.799 -2.905 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.302 -5.012 -1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.124 -6.328 -1.449 1.00 0.00 H new ATOM 660 N LEU A 44 10.930 -0.949 2.497 1.00 0.00 N ATOM 661 CA LEU A 44 11.266 0.417 2.878 1.00 0.00 C ATOM 662 C LEU A 44 12.570 0.457 3.671 1.00 0.00 C ATOM 663 O LEU A 44 12.683 1.178 4.663 1.00 0.00 O ATOM 664 CB LEU A 44 10.133 1.034 3.702 1.00 0.00 C ATOM 665 CG LEU A 44 8.960 1.576 2.884 1.00 0.00 C ATOM 666 CD1 LEU A 44 7.914 2.198 3.797 1.00 0.00 C ATOM 667 CD2 LEU A 44 9.450 2.592 1.862 1.00 0.00 C ATOM 0 H LEU A 44 10.415 -1.470 3.207 1.00 0.00 H new ATOM 0 HA LEU A 44 11.400 0.999 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.756 0.281 4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.542 1.845 4.304 1.00 0.00 H new ATOM 0 HG LEU A 44 8.498 0.745 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.087 2.578 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.542 1.444 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.362 3.018 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.603 2.968 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.936 3.421 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.162 2.116 1.188 1.00 0.00 H new ATOM 679 N THR A 45 13.553 -0.319 3.225 1.00 0.00 N ATOM 680 CA THR A 45 14.849 -0.370 3.891 1.00 0.00 C ATOM 681 C THR A 45 15.619 0.937 3.707 1.00 0.00 C ATOM 682 O THR A 45 16.623 1.173 4.378 1.00 0.00 O ATOM 683 CB THR A 45 15.674 -1.540 3.352 1.00 0.00 C ATOM 684 OG1 THR A 45 14.840 -2.642 3.044 1.00 0.00 O ATOM 685 CG2 THR A 45 16.733 -2.021 4.322 1.00 0.00 C ATOM 0 H THR A 45 13.476 -0.921 2.405 1.00 0.00 H new ATOM 0 HA THR A 45 14.672 -0.514 4.957 1.00 0.00 H new ATOM 0 HB THR A 45 16.168 -1.159 2.459 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.386 -3.379 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.282 -2.852 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.423 -1.206 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.257 -2.352 5.245 1.00 0.00 H new ATOM 693 N ASP A 46 15.144 1.784 2.796 1.00 0.00 N ATOM 694 CA ASP A 46 15.790 3.062 2.533 1.00 0.00 C ATOM 695 C ASP A 46 15.080 4.189 3.275 1.00 0.00 C ATOM 696 O ASP A 46 14.254 4.900 2.702 1.00 0.00 O ATOM 697 CB ASP A 46 15.818 3.361 1.028 1.00 0.00 C ATOM 698 CG ASP A 46 14.747 2.621 0.246 1.00 0.00 C ATOM 699 OD1 ASP A 46 14.950 1.424 -0.051 1.00 0.00 O ATOM 700 OD2 ASP A 46 13.708 3.237 -0.069 1.00 0.00 O ATOM 0 H ASP A 46 14.315 1.606 2.230 1.00 0.00 H new ATOM 0 HA ASP A 46 16.816 2.997 2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.693 4.433 0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 46 16.797 3.094 0.630 1.00 0.00 H new ATOM 705 N ILE A 47 15.407 4.345 4.554 1.00 0.00 N ATOM 706 CA ILE A 47 14.802 5.383 5.377 1.00 0.00 C ATOM 707 C ILE A 47 15.699 6.615 5.451 1.00 0.00 C ATOM 708 O ILE A 47 15.793 7.267 6.491 1.00 0.00 O ATOM 709 CB ILE A 47 14.522 4.876 6.805 1.00 0.00 C ATOM 710 CG1 ILE A 47 13.816 3.520 6.762 1.00 0.00 C ATOM 711 CG2 ILE A 47 13.687 5.890 7.574 1.00 0.00 C ATOM 712 CD1 ILE A 47 13.869 2.769 8.074 1.00 0.00 C ATOM 0 H ILE A 47 16.089 3.764 5.042 1.00 0.00 H new ATOM 0 HA ILE A 47 13.857 5.652 4.905 1.00 0.00 H new ATOM 0 HB ILE A 47 15.474 4.751 7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 47 12.774 3.671 6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.271 2.907 5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 47 13.498 5.517 8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 47 14.226 6.836 7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.738 6.045 7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 47 13.349 1.817 7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.908 2.586 8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 47 13.388 3.362 8.852 1.00 0.00 H new ATOM 724 N GLY A 48 16.358 6.928 4.340 1.00 0.00 N ATOM 725 CA GLY A 48 17.240 8.079 4.299 1.00 0.00 C ATOM 726 C GLY A 48 18.551 7.830 5.019 1.00 0.00 C ATOM 727 O GLY A 48 18.859 6.696 5.388 1.00 0.00 O ATOM 0 H GLY A 48 16.297 6.404 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.443 8.341 3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.738 8.934 4.751 1.00 0.00 H new ATOM 731 N TYR A 49 19.325 8.891 5.220 1.00 0.00 N ATOM 732 CA TYR A 49 20.611 8.782 5.900 1.00 0.00 C ATOM 733 C TYR A 49 20.659 9.699 7.117 1.00 0.00 C ATOM 734 O TYR A 49 19.827 10.594 7.266 1.00 0.00 O ATOM 735 CB TYR A 49 21.750 9.124 4.938 1.00 0.00 C ATOM 736 CG TYR A 49 22.446 7.910 4.366 1.00 0.00 C ATOM 737 CD1 TYR A 49 23.398 7.219 5.105 1.00 0.00 C ATOM 738 CD2 TYR A 49 22.150 7.453 3.088 1.00 0.00 C ATOM 739 CE1 TYR A 49 24.037 6.109 4.586 1.00 0.00 C ATOM 740 CE2 TYR A 49 22.783 6.342 2.562 1.00 0.00 C ATOM 741 CZ TYR A 49 23.725 5.675 3.315 1.00 0.00 C ATOM 742 OH TYR A 49 24.359 4.570 2.796 1.00 0.00 O ATOM 0 H TYR A 49 19.085 9.836 4.922 1.00 0.00 H new ATOM 0 HA TYR A 49 20.732 7.753 6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 49 21.354 9.725 4.119 1.00 0.00 H new ATOM 0 HB3 TYR A 49 22.482 9.740 5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 49 23.643 7.555 6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 49 21.413 7.974 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 49 24.777 5.584 5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 49 22.541 5.999 1.567 1.00 0.00 H new ATOM 0 HH TYR A 49 24.025 4.396 1.891 1.00 0.00 H new ATOM 752 N ASN A 50 21.639 9.470 7.987 1.00 0.00 N ATOM 753 CA ASN A 50 21.794 10.276 9.192 1.00 0.00 C ATOM 754 C ASN A 50 23.264 10.584 9.458 1.00 0.00 C ATOM 755 O ASN A 50 23.974 9.790 10.074 1.00 0.00 O ATOM 756 CB ASN A 50 21.185 9.552 10.395 1.00 0.00 C ATOM 757 CG ASN A 50 20.323 10.466 11.243 1.00 0.00 C ATOM 758 OD1 ASN A 50 19.112 10.270 11.354 1.00 0.00 O ATOM 759 ND2 ASN A 50 20.943 11.472 11.849 1.00 0.00 N ATOM 0 H ASN A 50 22.336 8.734 7.879 1.00 0.00 H new ATOM 0 HA ASN A 50 21.268 11.219 9.039 1.00 0.00 H new ATOM 0 HB2 ASN A 50 20.585 8.712 10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 50 21.984 9.138 11.009 1.00 0.00 H new ATOM 0 HD21 ASN A 50 20.414 12.119 12.434 1.00 0.00 H new ATOM 0 HD22 ASN A 50 21.948 11.598 11.730 1.00 0.00 H new ATOM 766 N TRP A 51 23.714 11.745 8.990 1.00 0.00 N ATOM 767 CA TRP A 51 25.100 12.160 9.179 1.00 0.00 C ATOM 768 C TRP A 51 25.190 13.647 9.522 1.00 0.00 C ATOM 769 O TRP A 51 26.263 14.244 9.446 1.00 0.00 O ATOM 770 CB TRP A 51 25.916 11.868 7.920 1.00 0.00 C ATOM 771 CG TRP A 51 25.301 12.427 6.674 1.00 0.00 C ATOM 772 CD1 TRP A 51 24.415 11.802 5.847 1.00 0.00 C ATOM 773 CD2 TRP A 51 25.526 13.726 6.114 1.00 0.00 C ATOM 774 NE1 TRP A 51 24.074 12.631 4.806 1.00 0.00 N ATOM 775 CE2 TRP A 51 24.743 13.819 4.947 1.00 0.00 C ATOM 776 CE3 TRP A 51 26.312 14.821 6.485 1.00 0.00 C ATOM 777 CZ2 TRP A 51 24.725 14.961 4.151 1.00 0.00 C ATOM 778 CZ3 TRP A 51 26.293 15.954 5.693 1.00 0.00 C ATOM 779 CH2 TRP A 51 25.504 16.016 4.539 1.00 0.00 C ATOM 0 H TRP A 51 23.139 12.414 8.478 1.00 0.00 H new ATOM 0 HA TRP A 51 25.509 11.591 10.014 1.00 0.00 H new ATOM 0 HB2 TRP A 51 26.917 12.282 8.040 1.00 0.00 H new ATOM 0 HB3 TRP A 51 26.028 10.789 7.810 1.00 0.00 H new ATOM 0 HD1 TRP A 51 24.036 10.801 5.990 1.00 0.00 H new ATOM 0 HE1 TRP A 51 23.428 12.400 4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 51 26.923 14.783 7.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 24.118 15.012 3.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 26.897 16.805 5.970 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.510 16.916 3.942 1.00 0.00 H new ATOM 790 N GLN A 52 24.059 14.239 9.898 1.00 0.00 N ATOM 791 CA GLN A 52 24.020 15.654 10.250 1.00 0.00 C ATOM 792 C GLN A 52 24.570 15.881 11.655 1.00 0.00 C ATOM 793 O GLN A 52 24.012 15.393 12.637 1.00 0.00 O ATOM 794 CB GLN A 52 22.589 16.184 10.159 1.00 0.00 C ATOM 795 CG GLN A 52 21.931 15.932 8.812 1.00 0.00 C ATOM 796 CD GLN A 52 20.456 16.283 8.809 1.00 0.00 C ATOM 797 OE1 GLN A 52 20.063 17.369 9.236 1.00 0.00 O ATOM 798 NE2 GLN A 52 19.628 15.362 8.328 1.00 0.00 N ATOM 0 H GLN A 52 23.160 13.762 9.966 1.00 0.00 H new ATOM 0 HA GLN A 52 24.647 16.196 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 52 21.988 15.719 10.940 1.00 0.00 H new ATOM 0 HB3 GLN A 52 22.594 17.256 10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 52 22.442 16.517 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 52 22.052 14.882 8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 52 19.996 14.475 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 52 18.624 15.542 8.303 1.00 0.00 H new ATOM 807 N ASP A 53 25.668 16.625 11.742 1.00 0.00 N ATOM 808 CA ASP A 53 26.294 16.918 13.026 1.00 0.00 C ATOM 809 C ASP A 53 25.927 18.320 13.502 1.00 0.00 C ATOM 810 O ASP A 53 26.640 19.286 13.228 1.00 0.00 O ATOM 811 CB ASP A 53 27.814 16.784 12.920 1.00 0.00 C ATOM 812 CG ASP A 53 28.376 17.516 11.717 1.00 0.00 C ATOM 813 OD1 ASP A 53 28.225 17.005 10.587 1.00 0.00 O ATOM 814 OD2 ASP A 53 28.968 18.599 11.905 1.00 0.00 O ATOM 0 H ASP A 53 26.143 17.036 10.938 1.00 0.00 H new ATOM 0 HA ASP A 53 25.924 16.197 13.755 1.00 0.00 H new ATOM 0 HB2 ASP A 53 28.275 17.175 13.827 1.00 0.00 H new ATOM 0 HB3 ASP A 53 28.079 15.729 12.857 1.00 0.00 H new ATOM 819 N HIS A 54 24.811 18.424 14.216 1.00 0.00 N ATOM 820 CA HIS A 54 24.349 19.708 14.731 1.00 0.00 C ATOM 821 C HIS A 54 24.418 19.740 16.255 1.00 0.00 C ATOM 822 O HIS A 54 23.537 20.292 16.915 1.00 0.00 O ATOM 823 CB HIS A 54 22.918 19.982 14.266 1.00 0.00 C ATOM 824 CG HIS A 54 21.963 18.874 14.582 1.00 0.00 C ATOM 825 ND1 HIS A 54 21.815 17.646 14.030 1.00 0.00 N flip ATOM 826 CD2 HIS A 54 21.010 18.962 15.576 1.00 0.00 C flip ATOM 827 CE1 HIS A 54 20.787 17.023 14.694 1.00 0.00 C flip ATOM 828 NE2 HIS A 54 20.319 17.836 15.620 1.00 0.00 N flip ATOM 0 H HIS A 54 24.210 17.634 14.451 1.00 0.00 H new ATOM 0 HA HIS A 54 25.005 20.486 14.340 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.563 20.901 14.733 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.921 20.152 13.189 1.00 0.00 H new ATOM 0 HD2 HIS A 54 20.853 19.817 16.217 1.00 0.00 H new ATOM 0 HE1 HIS A 54 20.421 16.028 14.490 1.00 0.00 H new ATOM 0 HE2 HIS A 54 19.553 17.631 16.262 1.00 0.00 H new ATOM 836 N HIS A 55 25.469 19.145 16.807 1.00 0.00 N ATOM 837 CA HIS A 55 25.653 19.106 18.254 1.00 0.00 C ATOM 838 C HIS A 55 26.431 20.326 18.736 1.00 0.00 C ATOM 839 O HIS A 55 27.136 20.972 17.961 1.00 0.00 O ATOM 840 CB HIS A 55 26.386 17.827 18.662 1.00 0.00 C ATOM 841 CG HIS A 55 26.477 17.638 20.144 1.00 0.00 C ATOM 842 ND1 HIS A 55 27.448 17.981 21.024 1.00 0.00 N flip ATOM 843 CD2 HIS A 55 25.488 17.028 20.887 1.00 0.00 C flip ATOM 844 CE1 HIS A 55 27.032 17.577 22.267 1.00 0.00 C flip ATOM 845 NE2 HIS A 55 25.846 17.006 22.158 1.00 0.00 N flip ATOM 0 H HIS A 55 26.207 18.683 16.275 1.00 0.00 H new ATOM 0 HA HIS A 55 24.668 19.117 18.721 1.00 0.00 H new ATOM 0 HB2 HIS A 55 25.874 16.969 18.225 1.00 0.00 H new ATOM 0 HB3 HIS A 55 27.392 17.845 18.244 1.00 0.00 H new ATOM 0 HD2 HIS A 55 24.565 16.630 20.491 1.00 0.00 H new ATOM 0 HE1 HIS A 55 27.585 17.705 23.186 1.00 0.00 H new ATOM 0 HE2 HIS A 55 25.299 16.615 22.925 1.00 0.00 H new ATOM 853 N ILE A 56 26.296 20.636 20.022 1.00 0.00 N ATOM 854 CA ILE A 56 26.986 21.778 20.608 1.00 0.00 C ATOM 855 C ILE A 56 28.310 21.354 21.236 1.00 0.00 C ATOM 856 O ILE A 56 28.522 21.510 22.439 1.00 0.00 O ATOM 857 CB ILE A 56 26.113 22.475 21.670 1.00 0.00 C ATOM 858 CG1 ILE A 56 26.802 23.743 22.184 1.00 0.00 C ATOM 859 CG2 ILE A 56 25.804 21.525 22.820 1.00 0.00 C ATOM 860 CD1 ILE A 56 26.359 25.001 21.470 1.00 0.00 C ATOM 0 H ILE A 56 25.715 20.112 20.677 1.00 0.00 H new ATOM 0 HA ILE A 56 27.185 22.483 19.800 1.00 0.00 H new ATOM 0 HB ILE A 56 25.170 22.763 21.205 1.00 0.00 H new ATOM 0 HG12 ILE A 56 26.601 23.850 23.250 1.00 0.00 H new ATOM 0 HG13 ILE A 56 27.881 23.632 22.072 1.00 0.00 H new ATOM 0 HG21 ILE A 56 25.187 22.036 23.559 1.00 0.00 H new ATOM 0 HG22 ILE A 56 25.269 20.655 22.440 1.00 0.00 H new ATOM 0 HG23 ILE A 56 26.735 21.203 23.286 1.00 0.00 H new ATOM 0 HD11 ILE A 56 26.887 25.860 21.885 1.00 0.00 H new ATOM 0 HD12 ILE A 56 26.585 24.915 20.407 1.00 0.00 H new ATOM 0 HD13 ILE A 56 25.286 25.136 21.603 1.00 0.00 H new ATOM 872 N GLU A 57 29.195 20.815 20.409 1.00 0.00 N ATOM 873 CA GLU A 57 30.502 20.363 20.872 1.00 0.00 C ATOM 874 C GLU A 57 31.580 21.404 20.577 1.00 0.00 C ATOM 875 O GLU A 57 32.597 21.468 21.266 1.00 0.00 O ATOM 876 CB GLU A 57 30.863 19.029 20.212 1.00 0.00 C ATOM 877 CG GLU A 57 30.988 17.879 21.197 1.00 0.00 C ATOM 878 CD GLU A 57 31.547 16.623 20.557 1.00 0.00 C ATOM 879 OE1 GLU A 57 32.250 16.741 19.532 1.00 0.00 O ATOM 880 OE2 GLU A 57 31.281 15.521 21.082 1.00 0.00 O ATOM 0 H GLU A 57 29.032 20.679 19.411 1.00 0.00 H new ATOM 0 HA GLU A 57 30.450 20.225 21.952 1.00 0.00 H new ATOM 0 HB2 GLU A 57 30.102 18.782 19.472 1.00 0.00 H new ATOM 0 HB3 GLU A 57 31.805 19.141 19.676 1.00 0.00 H new ATOM 0 HG2 GLU A 57 31.633 18.180 22.022 1.00 0.00 H new ATOM 0 HG3 GLU A 57 30.008 17.661 21.622 1.00 0.00 H new ATOM 887 N GLU A 58 31.348 22.216 19.549 1.00 0.00 N ATOM 888 CA GLU A 58 32.298 23.255 19.163 1.00 0.00 C ATOM 889 C GLU A 58 33.613 22.644 18.691 1.00 0.00 C ATOM 890 O GLU A 58 33.864 22.534 17.491 1.00 0.00 O ATOM 891 CB GLU A 58 32.548 24.212 20.332 1.00 0.00 C ATOM 892 CG GLU A 58 31.657 25.444 20.310 1.00 0.00 C ATOM 893 CD GLU A 58 31.423 26.018 21.694 1.00 0.00 C ATOM 894 OE1 GLU A 58 32.407 26.169 22.448 1.00 0.00 O ATOM 895 OE2 GLU A 58 30.256 26.316 22.023 1.00 0.00 O ATOM 0 H GLU A 58 30.510 22.174 18.968 1.00 0.00 H new ATOM 0 HA GLU A 58 31.866 23.817 18.335 1.00 0.00 H new ATOM 0 HB2 GLU A 58 32.391 23.677 21.269 1.00 0.00 H new ATOM 0 HB3 GLU A 58 33.591 24.528 20.316 1.00 0.00 H new ATOM 0 HG2 GLU A 58 32.112 26.206 19.677 1.00 0.00 H new ATOM 0 HG3 GLU A 58 30.698 25.187 19.860 1.00 0.00 H new ATOM 902 N SER A 59 34.450 22.250 19.643 1.00 0.00 N ATOM 903 CA SER A 59 35.742 21.651 19.327 1.00 0.00 C ATOM 904 C SER A 59 35.668 20.128 19.395 1.00 0.00 C ATOM 905 O SER A 59 36.090 19.521 20.379 1.00 0.00 O ATOM 906 CB SER A 59 36.815 22.166 20.287 1.00 0.00 C ATOM 907 OG SER A 59 36.252 22.527 21.536 1.00 0.00 O ATOM 0 H SER A 59 34.258 22.334 20.641 1.00 0.00 H new ATOM 0 HA SER A 59 36.008 21.938 18.310 1.00 0.00 H new ATOM 0 HB2 SER A 59 37.574 21.398 20.435 1.00 0.00 H new ATOM 0 HB3 SER A 59 37.316 23.028 19.848 1.00 0.00 H new ATOM 0 HG SER A 59 36.959 22.851 22.132 1.00 0.00 H new ATOM 913 N GLY A 60 35.129 19.520 18.344 1.00 0.00 N ATOM 914 CA GLY A 60 35.010 18.075 18.305 1.00 0.00 C ATOM 915 C GLY A 60 36.359 17.381 18.322 1.00 0.00 C ATOM 916 O GLY A 60 37.310 17.885 18.919 1.00 0.00 O ATOM 0 H GLY A 60 34.773 20.002 17.519 1.00 0.00 H new ATOM 0 HA2 GLY A 60 34.421 17.739 19.158 1.00 0.00 H new ATOM 0 HA3 GLY A 60 34.466 17.782 17.407 1.00 0.00 H new ATOM 920 N PRO A 61 36.477 16.211 17.669 1.00 0.00 N ATOM 921 CA PRO A 61 37.733 15.456 17.620 1.00 0.00 C ATOM 922 C PRO A 61 38.911 16.320 17.181 1.00 0.00 C ATOM 923 O PRO A 61 39.952 16.348 17.836 1.00 0.00 O ATOM 924 CB PRO A 61 37.453 14.366 16.584 1.00 0.00 C ATOM 925 CG PRO A 61 35.976 14.180 16.621 1.00 0.00 C ATOM 926 CD PRO A 61 35.395 15.535 16.928 1.00 0.00 C ATOM 0 HA PRO A 61 38.014 15.068 18.599 1.00 0.00 H new ATOM 0 HB2 PRO A 61 37.790 14.667 15.592 1.00 0.00 H new ATOM 0 HB3 PRO A 61 37.975 13.441 16.831 1.00 0.00 H new ATOM 0 HG2 PRO A 61 35.606 13.804 15.667 1.00 0.00 H new ATOM 0 HG3 PRO A 61 35.693 13.453 17.382 1.00 0.00 H new ATOM 0 HD2 PRO A 61 35.133 16.075 16.018 1.00 0.00 H new ATOM 0 HD3 PRO A 61 34.487 15.457 17.526 1.00 0.00 H new ATOM 934 N SER A 62 38.738 17.025 16.067 1.00 0.00 N ATOM 935 CA SER A 62 39.787 17.890 15.540 1.00 0.00 C ATOM 936 C SER A 62 39.836 19.210 16.303 1.00 0.00 C ATOM 937 O SER A 62 38.838 19.925 16.392 1.00 0.00 O ATOM 938 CB SER A 62 39.556 18.156 14.052 1.00 0.00 C ATOM 939 OG SER A 62 38.505 19.088 13.856 1.00 0.00 O ATOM 0 H SER A 62 37.882 17.014 15.513 1.00 0.00 H new ATOM 0 HA SER A 62 40.743 17.381 15.667 1.00 0.00 H new ATOM 0 HB2 SER A 62 40.472 18.537 13.601 1.00 0.00 H new ATOM 0 HB3 SER A 62 39.316 17.221 13.545 1.00 0.00 H new ATOM 0 HG SER A 62 38.364 19.600 14.680 1.00 0.00 H new ATOM 945 N SER A 63 41.004 19.527 16.851 1.00 0.00 N ATOM 946 CA SER A 63 41.183 20.761 17.607 1.00 0.00 C ATOM 947 C SER A 63 42.532 21.401 17.290 1.00 0.00 C ATOM 948 O SER A 63 43.583 20.853 17.622 1.00 0.00 O ATOM 949 CB SER A 63 41.076 20.486 19.107 1.00 0.00 C ATOM 950 OG SER A 63 40.828 21.679 19.830 1.00 0.00 O ATOM 0 H SER A 63 41.840 18.947 16.786 1.00 0.00 H new ATOM 0 HA SER A 63 40.394 21.454 17.316 1.00 0.00 H new ATOM 0 HB2 SER A 63 40.274 19.772 19.292 1.00 0.00 H new ATOM 0 HB3 SER A 63 41.999 20.028 19.462 1.00 0.00 H new ATOM 0 HG SER A 63 40.762 21.474 20.786 1.00 0.00 H new ATOM 956 N GLY A 64 42.493 22.564 16.647 1.00 0.00 N ATOM 957 CA GLY A 64 43.717 23.258 16.296 1.00 0.00 C ATOM 958 C GLY A 64 43.659 24.738 16.620 1.00 0.00 C ATOM 959 O GLY A 64 42.646 25.177 17.205 1.00 0.00 O ATOM 960 OXT GLY A 64 44.626 25.456 16.291 1.00 0.00 O ATOM 0 H GLY A 64 41.635 23.037 16.363 1.00 0.00 H new ATOM 0 HA2 GLY A 64 44.553 22.805 16.829 1.00 0.00 H new ATOM 0 HA3 GLY A 64 43.911 23.130 15.231 1.00 0.00 H new TER 964 GLY A 64