USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=20 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 41:sc= 0.822 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -154:sc= -0.54 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= -0.272 X(o=-0.27,f=-0.016) USER MOD Single : A 15 MET CE :methyl -166:sc= -0.916 (180deg=-1.6) USER MOD Single : A 16 ASN : amide:sc= 0.472 K(o=0.47,f=-0.58) 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= -0.0828 USER MOD Single : A 29 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.3!) 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 159:sc= -0.0669 (180deg=-0.392) 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= -0.123 X(o=-0.12,f=-0.0074) USER MOD Single : A 43 ASN : amide:sc= -0.085 X(o=-0.085,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00138 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0077 X(o=-0.0077,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.171 F(o=-0.75,f=-0.17) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -63:sc= 1.12 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -53:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.991 17.004 -14.357 1.00 0.00 N ATOM 2 CA GLY A 1 -17.012 16.576 -13.361 1.00 0.00 C ATOM 3 C GLY A 1 -17.392 15.116 -13.510 1.00 0.00 C ATOM 4 O GLY A 1 -17.168 14.314 -12.603 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.766 18.009 -14.213 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.129 16.435 -14.237 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.365 16.867 -15.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.628 16.747 -12.355 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.904 17.193 -13.471 1.00 0.00 H new ATOM 10 N SER A 2 -17.968 14.770 -14.656 1.00 0.00 N ATOM 11 CA SER A 2 -18.381 13.397 -14.922 1.00 0.00 C ATOM 12 C SER A 2 -18.690 13.199 -16.402 1.00 0.00 C ATOM 13 O SER A 2 -18.559 14.125 -17.203 1.00 0.00 O ATOM 14 CB SER A 2 -19.607 13.039 -14.079 1.00 0.00 C ATOM 15 OG SER A 2 -19.226 12.441 -12.852 1.00 0.00 O ATOM 0 H SER A 2 -18.160 15.422 -15.416 1.00 0.00 H new ATOM 0 HA SER A 2 -17.557 12.737 -14.651 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.192 13.937 -13.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.248 12.356 -14.636 1.00 0.00 H new ATOM 0 HG SER A 2 -18.445 12.908 -12.489 1.00 0.00 H new ATOM 21 N SER A 3 -19.104 11.988 -16.758 1.00 0.00 N ATOM 22 CA SER A 3 -19.433 11.669 -18.143 1.00 0.00 C ATOM 23 C SER A 3 -20.024 10.267 -18.252 1.00 0.00 C ATOM 24 O SER A 3 -21.006 10.050 -18.961 1.00 0.00 O ATOM 25 CB SER A 3 -18.189 11.782 -19.024 1.00 0.00 C ATOM 26 OG SER A 3 -18.541 11.907 -20.390 1.00 0.00 O ATOM 0 H SER A 3 -19.220 11.211 -16.107 1.00 0.00 H new ATOM 0 HA SER A 3 -20.179 12.385 -18.488 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.599 12.646 -18.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.561 10.902 -18.886 1.00 0.00 H new ATOM 0 HG SER A 3 -17.728 11.979 -20.932 1.00 0.00 H new ATOM 32 N GLY A 4 -19.419 9.319 -17.543 1.00 0.00 N ATOM 33 CA GLY A 4 -19.900 7.950 -17.574 1.00 0.00 C ATOM 34 C GLY A 4 -18.872 6.985 -18.129 1.00 0.00 C ATOM 35 O GLY A 4 -18.687 6.894 -19.344 1.00 0.00 O ATOM 0 H GLY A 4 -18.605 9.474 -16.948 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.175 7.642 -16.565 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.805 7.900 -18.180 1.00 0.00 H new ATOM 39 N SER A 5 -18.200 6.262 -17.240 1.00 0.00 N ATOM 40 CA SER A 5 -17.184 5.297 -17.646 1.00 0.00 C ATOM 41 C SER A 5 -17.526 3.900 -17.138 1.00 0.00 C ATOM 42 O SER A 5 -17.374 2.913 -17.857 1.00 0.00 O ATOM 43 CB SER A 5 -15.810 5.721 -17.123 1.00 0.00 C ATOM 44 OG SER A 5 -15.676 5.426 -15.744 1.00 0.00 O ATOM 0 H SER A 5 -18.341 6.326 -16.232 1.00 0.00 H new ATOM 0 HA SER A 5 -17.158 5.271 -18.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.029 5.208 -17.685 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.670 6.790 -17.285 1.00 0.00 H new ATOM 0 HG SER A 5 -15.023 6.035 -15.341 1.00 0.00 H new ATOM 50 N SER A 6 -17.987 3.825 -15.894 1.00 0.00 N ATOM 51 CA SER A 6 -18.351 2.548 -15.288 1.00 0.00 C ATOM 52 C SER A 6 -17.145 1.618 -15.212 1.00 0.00 C ATOM 53 O SER A 6 -17.271 0.406 -15.390 1.00 0.00 O ATOM 54 CB SER A 6 -19.475 1.883 -16.086 1.00 0.00 C ATOM 55 OG SER A 6 -20.597 2.740 -16.200 1.00 0.00 O ATOM 0 H SER A 6 -18.118 4.633 -15.285 1.00 0.00 H new ATOM 0 HA SER A 6 -18.701 2.742 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.113 1.619 -17.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.771 0.954 -15.598 1.00 0.00 H new ATOM 0 HG SER A 6 -21.300 2.292 -16.715 1.00 0.00 H new ATOM 61 N GLY A 7 -15.976 2.192 -14.946 1.00 0.00 N ATOM 62 CA GLY A 7 -14.764 1.399 -14.850 1.00 0.00 C ATOM 63 C GLY A 7 -13.628 1.977 -15.670 1.00 0.00 C ATOM 64 O GLY A 7 -13.690 2.002 -16.899 1.00 0.00 O ATOM 0 H GLY A 7 -15.846 3.192 -14.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.458 1.333 -13.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.970 0.383 -15.186 1.00 0.00 H new ATOM 68 N VAL A 8 -12.587 2.445 -14.988 1.00 0.00 N ATOM 69 CA VAL A 8 -11.433 3.027 -15.661 1.00 0.00 C ATOM 70 C VAL A 8 -10.130 2.439 -15.128 1.00 0.00 C ATOM 71 O VAL A 8 -9.865 2.479 -13.926 1.00 0.00 O ATOM 72 CB VAL A 8 -11.396 4.557 -15.491 1.00 0.00 C ATOM 73 CG1 VAL A 8 -12.442 5.219 -16.374 1.00 0.00 C ATOM 74 CG2 VAL A 8 -11.600 4.937 -14.032 1.00 0.00 C ATOM 0 H VAL A 8 -12.520 2.432 -13.970 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.532 2.787 -16.720 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.414 4.915 -15.802 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.400 6.300 -16.240 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.244 4.975 -17.418 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.433 4.857 -16.098 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.571 6.022 -13.931 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.567 4.567 -13.691 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.809 4.495 -13.427 1.00 0.00 H new ATOM 84 N THR A 9 -9.321 1.895 -16.031 1.00 0.00 N ATOM 85 CA THR A 9 -8.044 1.301 -15.653 1.00 0.00 C ATOM 86 C THR A 9 -6.891 1.981 -16.385 1.00 0.00 C ATOM 87 O THR A 9 -5.873 1.356 -16.677 1.00 0.00 O ATOM 88 CB THR A 9 -8.045 -0.198 -15.959 1.00 0.00 C ATOM 89 OG1 THR A 9 -9.355 -0.728 -15.866 1.00 0.00 O ATOM 90 CG2 THR A 9 -7.159 -0.999 -15.029 1.00 0.00 C ATOM 0 H THR A 9 -9.527 1.853 -17.029 1.00 0.00 H new ATOM 0 HA THR A 9 -7.906 1.446 -14.581 1.00 0.00 H new ATOM 0 HB THR A 9 -7.654 -0.286 -16.973 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.335 -1.687 -16.067 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.206 -2.054 -15.301 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.131 -0.647 -15.114 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.502 -0.874 -14.002 1.00 0.00 H new ATOM 98 N TYR A 10 -7.060 3.267 -16.676 1.00 0.00 N ATOM 99 CA TYR A 10 -6.035 4.035 -17.373 1.00 0.00 C ATOM 100 C TYR A 10 -4.729 4.052 -16.582 1.00 0.00 C ATOM 101 O TYR A 10 -3.656 4.270 -17.144 1.00 0.00 O ATOM 102 CB TYR A 10 -6.519 5.467 -17.617 1.00 0.00 C ATOM 103 CG TYR A 10 -6.715 5.800 -19.078 1.00 0.00 C ATOM 104 CD1 TYR A 10 -5.628 6.045 -19.907 1.00 0.00 C ATOM 105 CD2 TYR A 10 -7.989 5.868 -19.630 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.803 6.348 -21.243 1.00 0.00 C ATOM 107 CE2 TYR A 10 -8.172 6.171 -20.965 1.00 0.00 C ATOM 108 CZ TYR A 10 -7.077 6.411 -21.767 1.00 0.00 C ATOM 109 OH TYR A 10 -7.255 6.713 -23.098 1.00 0.00 O ATOM 0 H TYR A 10 -7.898 3.799 -16.440 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.847 3.554 -18.333 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.461 5.618 -17.089 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.798 6.163 -17.188 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.629 5.998 -19.500 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.850 5.681 -19.005 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.947 6.535 -21.874 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.168 6.220 -21.379 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.212 6.716 -23.308 1.00 0.00 H new ATOM 119 N ASP A 11 -4.826 3.820 -15.276 1.00 0.00 N ATOM 120 CA ASP A 11 -3.651 3.809 -14.410 1.00 0.00 C ATOM 121 C ASP A 11 -3.019 5.196 -14.334 1.00 0.00 C ATOM 122 O ASP A 11 -1.800 5.328 -14.214 1.00 0.00 O ATOM 123 CB ASP A 11 -2.624 2.792 -14.915 1.00 0.00 C ATOM 124 CG ASP A 11 -1.995 1.999 -13.787 1.00 0.00 C ATOM 125 OD1 ASP A 11 -1.572 2.619 -12.789 1.00 0.00 O ATOM 126 OD2 ASP A 11 -1.926 0.758 -13.902 1.00 0.00 O ATOM 0 H ASP A 11 -5.706 3.637 -14.794 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.972 3.520 -13.409 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.107 2.107 -15.612 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.843 3.313 -15.469 1.00 0.00 H new ATOM 131 N ASP A 12 -3.855 6.227 -14.401 1.00 0.00 N ATOM 132 CA ASP A 12 -3.379 7.604 -14.337 1.00 0.00 C ATOM 133 C ASP A 12 -4.061 8.368 -13.204 1.00 0.00 C ATOM 134 O ASP A 12 -4.048 9.599 -13.179 1.00 0.00 O ATOM 135 CB ASP A 12 -3.626 8.315 -15.669 1.00 0.00 C ATOM 136 CG ASP A 12 -2.786 9.567 -15.819 1.00 0.00 C ATOM 137 OD1 ASP A 12 -1.604 9.542 -15.418 1.00 0.00 O ATOM 138 OD2 ASP A 12 -3.311 10.575 -16.339 1.00 0.00 O ATOM 0 H ASP A 12 -4.866 6.135 -14.500 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.307 7.580 -14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.405 7.632 -16.489 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.681 8.577 -15.748 1.00 0.00 H new ATOM 143 N VAL A 13 -4.652 7.633 -12.265 1.00 0.00 N ATOM 144 CA VAL A 13 -5.333 8.247 -11.130 1.00 0.00 C ATOM 145 C VAL A 13 -4.535 8.068 -9.838 1.00 0.00 C ATOM 146 O VAL A 13 -4.975 8.484 -8.766 1.00 0.00 O ATOM 147 CB VAL A 13 -6.741 7.656 -10.934 1.00 0.00 C ATOM 148 CG1 VAL A 13 -7.695 8.183 -11.995 1.00 0.00 C ATOM 149 CG2 VAL A 13 -6.691 6.135 -10.960 1.00 0.00 C ATOM 0 H VAL A 13 -4.673 6.613 -12.268 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.418 9.310 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.112 7.968 -9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.685 7.754 -11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.755 9.269 -11.923 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.330 7.904 -12.983 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.695 5.735 -10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.298 5.800 -11.920 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.044 5.778 -10.159 1.00 0.00 H new ATOM 159 N HIS A 14 -3.361 7.449 -9.945 1.00 0.00 N ATOM 160 CA HIS A 14 -2.508 7.221 -8.785 1.00 0.00 C ATOM 161 C HIS A 14 -3.207 6.347 -7.746 1.00 0.00 C ATOM 162 O HIS A 14 -2.832 6.341 -6.575 1.00 0.00 O ATOM 163 CB HIS A 14 -2.103 8.556 -8.156 1.00 0.00 C ATOM 164 CG HIS A 14 -1.281 9.418 -9.062 1.00 0.00 C ATOM 165 ND1 HIS A 14 -0.023 9.876 -8.731 1.00 0.00 N ATOM 166 CD2 HIS A 14 -1.541 9.905 -10.299 1.00 0.00 C ATOM 167 CE1 HIS A 14 0.453 10.608 -9.722 1.00 0.00 C ATOM 168 NE2 HIS A 14 -0.448 10.640 -10.685 1.00 0.00 N ATOM 0 H HIS A 14 -2.981 7.097 -10.824 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.615 6.697 -9.124 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.002 9.100 -7.867 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.540 8.362 -7.243 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.441 9.745 -10.874 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.416 11.097 -9.741 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.348 11.132 -11.573 1.00 0.00 H new ATOM 176 N MET A 15 -4.226 5.607 -8.182 1.00 0.00 N ATOM 177 CA MET A 15 -4.974 4.727 -7.288 1.00 0.00 C ATOM 178 C MET A 15 -5.376 5.456 -6.008 1.00 0.00 C ATOM 179 O MET A 15 -4.651 5.430 -5.014 1.00 0.00 O ATOM 180 CB MET A 15 -4.143 3.489 -6.946 1.00 0.00 C ATOM 181 CG MET A 15 -4.468 2.280 -7.810 1.00 0.00 C ATOM 182 SD MET A 15 -3.085 1.773 -8.851 1.00 0.00 S ATOM 183 CE MET A 15 -2.766 3.287 -9.753 1.00 0.00 C ATOM 0 H MET A 15 -4.552 5.600 -9.149 1.00 0.00 H new ATOM 0 HA MET A 15 -5.883 4.417 -7.804 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.086 3.730 -7.056 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.304 3.231 -5.899 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.758 1.448 -7.168 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.326 2.510 -8.441 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.116 3.075 -10.602 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.708 3.702 -10.112 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.279 4.007 -9.095 1.00 0.00 H new ATOM 193 N ASN A 16 -6.535 6.105 -6.041 1.00 0.00 N ATOM 194 CA ASN A 16 -7.032 6.841 -4.884 1.00 0.00 C ATOM 195 C ASN A 16 -8.470 6.446 -4.560 1.00 0.00 C ATOM 196 O ASN A 16 -9.307 7.299 -4.264 1.00 0.00 O ATOM 197 CB ASN A 16 -6.948 8.347 -5.140 1.00 0.00 C ATOM 198 CG ASN A 16 -7.805 8.784 -6.311 1.00 0.00 C ATOM 199 OD1 ASN A 16 -9.000 9.040 -6.159 1.00 0.00 O ATOM 200 ND2 ASN A 16 -7.200 8.871 -7.490 1.00 0.00 N ATOM 0 H ASN A 16 -7.148 6.136 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.407 6.588 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.262 8.883 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.911 8.623 -5.330 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.728 9.159 -8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.208 8.650 -7.572 1.00 0.00 H new ATOM 207 N PHE A 17 -8.750 5.148 -4.616 1.00 0.00 N ATOM 208 CA PHE A 17 -10.086 4.641 -4.326 1.00 0.00 C ATOM 209 C PHE A 17 -10.357 4.648 -2.825 1.00 0.00 C ATOM 210 O PHE A 17 -9.499 4.266 -2.028 1.00 0.00 O ATOM 211 CB PHE A 17 -10.248 3.225 -4.880 1.00 0.00 C ATOM 212 CG PHE A 17 -9.878 3.102 -6.330 1.00 0.00 C ATOM 213 CD1 PHE A 17 -10.773 3.473 -7.320 1.00 0.00 C ATOM 214 CD2 PHE A 17 -8.636 2.614 -6.703 1.00 0.00 C ATOM 215 CE1 PHE A 17 -10.436 3.361 -8.656 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.292 2.500 -8.037 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.193 2.875 -9.015 1.00 0.00 C ATOM 0 H PHE A 17 -8.069 4.428 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.810 5.297 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.630 2.542 -4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.283 2.909 -4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.745 3.854 -7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.928 2.319 -5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.143 3.653 -9.418 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.320 2.118 -8.314 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.926 2.789 -10.058 1.00 0.00 H new ATOM 227 N THR A 18 -11.554 5.082 -2.447 1.00 0.00 N ATOM 228 CA THR A 18 -11.938 5.139 -1.040 1.00 0.00 C ATOM 229 C THR A 18 -12.635 3.850 -0.614 1.00 0.00 C ATOM 230 O THR A 18 -12.727 2.897 -1.388 1.00 0.00 O ATOM 231 CB THR A 18 -12.858 6.336 -0.789 1.00 0.00 C ATOM 232 OG1 THR A 18 -14.075 6.189 -1.500 1.00 0.00 O ATOM 233 CG2 THR A 18 -12.245 7.657 -1.198 1.00 0.00 C ATOM 0 H THR A 18 -12.276 5.400 -3.094 1.00 0.00 H new ATOM 0 HA THR A 18 -11.031 5.255 -0.446 1.00 0.00 H new ATOM 0 HB THR A 18 -13.028 6.350 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.651 6.963 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.949 8.464 -0.993 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.328 7.823 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.015 7.637 -2.263 1.00 0.00 H new ATOM 241 N GLU A 19 -13.125 3.829 0.622 1.00 0.00 N ATOM 242 CA GLU A 19 -13.814 2.658 1.152 1.00 0.00 C ATOM 243 C GLU A 19 -15.034 2.317 0.304 1.00 0.00 C ATOM 244 O GLU A 19 -15.283 1.151 -0.005 1.00 0.00 O ATOM 245 CB GLU A 19 -14.238 2.903 2.601 1.00 0.00 C ATOM 246 CG GLU A 19 -14.231 1.647 3.457 1.00 0.00 C ATOM 247 CD GLU A 19 -14.222 1.954 4.942 1.00 0.00 C ATOM 248 OE1 GLU A 19 -14.929 2.895 5.358 1.00 0.00 O ATOM 249 OE2 GLU A 19 -13.506 1.252 5.688 1.00 0.00 O ATOM 0 H GLU A 19 -13.057 4.610 1.275 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.124 1.815 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.570 3.640 3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.239 3.333 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.108 1.045 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.356 1.047 3.208 1.00 0.00 H new ATOM 256 N GLU A 20 -15.794 3.342 -0.071 1.00 0.00 N ATOM 257 CA GLU A 20 -16.989 3.151 -0.885 1.00 0.00 C ATOM 258 C GLU A 20 -16.623 2.632 -2.272 1.00 0.00 C ATOM 259 O GLU A 20 -17.203 1.659 -2.753 1.00 0.00 O ATOM 260 CB GLU A 20 -17.763 4.465 -1.005 1.00 0.00 C ATOM 261 CG GLU A 20 -18.904 4.593 -0.009 1.00 0.00 C ATOM 262 CD GLU A 20 -19.031 5.995 0.555 1.00 0.00 C ATOM 263 OE1 GLU A 20 -18.505 6.938 -0.074 1.00 0.00 O ATOM 264 OE2 GLU A 20 -19.656 6.151 1.625 1.00 0.00 O ATOM 0 H GLU A 20 -15.603 4.313 0.176 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.620 2.410 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.073 5.297 -0.864 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -18.163 4.550 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.839 4.315 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.748 3.889 0.809 1.00 0.00 H new ATOM 271 N GLU A 21 -15.659 3.289 -2.908 1.00 0.00 N ATOM 272 CA GLU A 21 -15.218 2.893 -4.241 1.00 0.00 C ATOM 273 C GLU A 21 -14.519 1.539 -4.203 1.00 0.00 C ATOM 274 O GLU A 21 -14.637 0.742 -5.134 1.00 0.00 O ATOM 275 CB GLU A 21 -14.277 3.952 -4.823 1.00 0.00 C ATOM 276 CG GLU A 21 -14.961 4.908 -5.786 1.00 0.00 C ATOM 277 CD GLU A 21 -13.973 5.746 -6.575 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.144 6.436 -5.946 1.00 0.00 O ATOM 279 OE2 GLU A 21 -14.031 5.712 -7.822 1.00 0.00 O ATOM 0 H GLU A 21 -15.169 4.096 -2.523 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.098 2.808 -4.879 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.838 4.524 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.457 3.453 -5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.583 4.339 -6.477 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.626 5.567 -5.228 1.00 0.00 H new ATOM 286 N TRP A 22 -13.791 1.283 -3.120 1.00 0.00 N ATOM 287 CA TRP A 22 -13.073 0.023 -2.961 1.00 0.00 C ATOM 288 C TRP A 22 -14.023 -1.167 -3.065 1.00 0.00 C ATOM 289 O TRP A 22 -13.623 -2.260 -3.466 1.00 0.00 O ATOM 290 CB TRP A 22 -12.345 -0.006 -1.616 1.00 0.00 C ATOM 291 CG TRP A 22 -11.446 -1.193 -1.452 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.616 -2.238 -0.591 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.235 -1.455 -2.169 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.584 -3.135 -0.728 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.723 -2.677 -1.691 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.532 -0.777 -3.169 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.543 -3.232 -2.178 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.361 -1.330 -3.652 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.877 -2.547 -3.158 1.00 0.00 C ATOM 0 H TRP A 22 -13.683 1.931 -2.340 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.341 -0.051 -3.765 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.755 0.905 -1.511 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.081 -0.003 -0.812 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.441 -2.345 0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.476 -4.001 -0.199 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.897 0.162 -3.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.167 -4.170 -1.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.810 -0.814 -4.424 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.960 -2.953 -3.558 1.00 0.00 H new ATOM 310 N ASP A 23 -15.282 -0.947 -2.699 1.00 0.00 N ATOM 311 CA ASP A 23 -16.288 -2.002 -2.751 1.00 0.00 C ATOM 312 C ASP A 23 -16.841 -2.164 -4.163 1.00 0.00 C ATOM 313 O ASP A 23 -17.315 -3.238 -4.535 1.00 0.00 O ATOM 314 CB ASP A 23 -17.427 -1.695 -1.777 1.00 0.00 C ATOM 315 CG ASP A 23 -17.106 -2.123 -0.359 1.00 0.00 C ATOM 316 OD1 ASP A 23 -16.099 -1.635 0.195 1.00 0.00 O ATOM 317 OD2 ASP A 23 -17.862 -2.948 0.198 1.00 0.00 O ATOM 0 H ASP A 23 -15.630 -0.049 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.810 -2.938 -2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.636 -0.625 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.333 -2.202 -2.110 1.00 0.00 H new ATOM 322 N LEU A 24 -16.783 -1.092 -4.948 1.00 0.00 N ATOM 323 CA LEU A 24 -17.283 -1.119 -6.318 1.00 0.00 C ATOM 324 C LEU A 24 -16.160 -1.415 -7.311 1.00 0.00 C ATOM 325 O LEU A 24 -16.283 -1.127 -8.501 1.00 0.00 O ATOM 326 CB LEU A 24 -17.946 0.215 -6.667 1.00 0.00 C ATOM 327 CG LEU A 24 -18.786 0.832 -5.546 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.850 2.344 -5.698 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.185 0.235 -5.540 1.00 0.00 C ATOM 0 H LEU A 24 -16.395 -0.194 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.022 -1.918 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.170 0.925 -6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.582 0.070 -7.540 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.310 0.603 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.451 2.766 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.842 2.757 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.302 2.594 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.769 0.685 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.669 0.434 -6.496 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.120 -0.842 -5.383 1.00 0.00 H new ATOM 341 N LEU A 25 -15.068 -1.991 -6.817 1.00 0.00 N ATOM 342 CA LEU A 25 -13.930 -2.323 -7.666 1.00 0.00 C ATOM 343 C LEU A 25 -13.943 -3.802 -8.039 1.00 0.00 C ATOM 344 O LEU A 25 -14.677 -4.596 -7.450 1.00 0.00 O ATOM 345 CB LEU A 25 -12.618 -1.977 -6.959 1.00 0.00 C ATOM 346 CG LEU A 25 -12.258 -0.490 -6.956 1.00 0.00 C ATOM 347 CD1 LEU A 25 -11.127 -0.217 -5.976 1.00 0.00 C ATOM 348 CD2 LEU A 25 -11.874 -0.033 -8.356 1.00 0.00 C ATOM 0 H LEU A 25 -14.948 -2.237 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.008 -1.734 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.676 -2.323 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.809 -2.530 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.133 0.076 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.884 0.846 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.437 -0.508 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.248 -0.793 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.621 1.027 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.013 -0.605 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.713 -0.193 -9.034 1.00 0.00 H new ATOM 360 N ASP A 26 -13.125 -4.166 -9.022 1.00 0.00 N ATOM 361 CA ASP A 26 -13.041 -5.551 -9.474 1.00 0.00 C ATOM 362 C ASP A 26 -11.809 -6.239 -8.897 1.00 0.00 C ATOM 363 O ASP A 26 -11.054 -5.641 -8.129 1.00 0.00 O ATOM 364 CB ASP A 26 -13.004 -5.608 -11.003 1.00 0.00 C ATOM 365 CG ASP A 26 -14.335 -5.239 -11.628 1.00 0.00 C ATOM 366 OD1 ASP A 26 -15.021 -4.350 -11.082 1.00 0.00 O ATOM 367 OD2 ASP A 26 -14.690 -5.840 -12.664 1.00 0.00 O ATOM 0 H ASP A 26 -12.511 -3.522 -9.521 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.927 -6.078 -9.119 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.233 -4.931 -11.370 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.723 -6.612 -11.320 1.00 0.00 H new ATOM 372 N SER A 27 -11.611 -7.498 -9.271 1.00 0.00 N ATOM 373 CA SER A 27 -10.470 -8.268 -8.790 1.00 0.00 C ATOM 374 C SER A 27 -9.163 -7.701 -9.335 1.00 0.00 C ATOM 375 O SER A 27 -8.123 -7.773 -8.681 1.00 0.00 O ATOM 376 CB SER A 27 -10.611 -9.736 -9.195 1.00 0.00 C ATOM 377 OG SER A 27 -9.686 -10.550 -8.495 1.00 0.00 O ATOM 0 H SER A 27 -12.226 -8.007 -9.906 1.00 0.00 H new ATOM 0 HA SER A 27 -10.450 -8.199 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.626 -10.077 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.450 -9.837 -10.268 1.00 0.00 H new ATOM 0 HG SER A 27 -9.798 -11.484 -8.771 1.00 0.00 H new ATOM 383 N SER A 28 -9.224 -7.139 -10.537 1.00 0.00 N ATOM 384 CA SER A 28 -8.046 -6.560 -11.172 1.00 0.00 C ATOM 385 C SER A 28 -7.595 -5.303 -10.434 1.00 0.00 C ATOM 386 O SER A 28 -6.399 -5.077 -10.244 1.00 0.00 O ATOM 387 CB SER A 28 -8.339 -6.227 -12.635 1.00 0.00 C ATOM 388 OG SER A 28 -9.049 -5.006 -12.749 1.00 0.00 O ATOM 0 H SER A 28 -10.077 -7.072 -11.092 1.00 0.00 H new ATOM 0 HA SER A 28 -7.243 -7.296 -11.129 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.403 -6.160 -13.190 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.920 -7.032 -13.085 1.00 0.00 H new ATOM 0 HG SER A 28 -9.222 -4.815 -13.695 1.00 0.00 H new ATOM 394 N GLN A 29 -8.560 -4.487 -10.022 1.00 0.00 N ATOM 395 CA GLN A 29 -8.263 -3.252 -9.305 1.00 0.00 C ATOM 396 C GLN A 29 -7.846 -3.544 -7.867 1.00 0.00 C ATOM 397 O GLN A 29 -6.862 -2.996 -7.372 1.00 0.00 O ATOM 398 CB GLN A 29 -9.481 -2.326 -9.315 1.00 0.00 C ATOM 399 CG GLN A 29 -10.128 -2.181 -10.684 1.00 0.00 C ATOM 400 CD GLN A 29 -9.544 -1.035 -11.486 1.00 0.00 C ATOM 401 OE1 GLN A 29 -8.660 -1.232 -12.320 1.00 0.00 O ATOM 402 NE2 GLN A 29 -10.036 0.173 -11.237 1.00 0.00 N ATOM 0 H GLN A 29 -9.554 -4.659 -10.172 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.434 -2.758 -9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.221 -2.707 -8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.180 -1.341 -8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.004 -3.110 -11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.200 -2.024 -10.561 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.769 0.291 -10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.681 0.983 -11.746 1.00 0.00 H new ATOM 411 N LYS A 30 -8.604 -4.409 -7.202 1.00 0.00 N ATOM 412 CA LYS A 30 -8.317 -4.776 -5.821 1.00 0.00 C ATOM 413 C LYS A 30 -6.926 -5.391 -5.695 1.00 0.00 C ATOM 414 O LYS A 30 -6.302 -5.324 -4.636 1.00 0.00 O ATOM 415 CB LYS A 30 -9.374 -5.758 -5.313 1.00 0.00 C ATOM 416 CG LYS A 30 -10.454 -5.105 -4.465 1.00 0.00 C ATOM 417 CD LYS A 30 -11.483 -6.120 -3.995 1.00 0.00 C ATOM 418 CE LYS A 30 -12.697 -5.439 -3.384 1.00 0.00 C ATOM 419 NZ LYS A 30 -13.644 -6.423 -2.789 1.00 0.00 N ATOM 0 H LYS A 30 -9.423 -4.870 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.344 -3.871 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.841 -6.249 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.884 -6.535 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.997 -4.622 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.949 -4.324 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.796 -6.739 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.030 -6.786 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.372 -4.738 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.211 -4.857 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.458 -5.919 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.974 -7.077 -3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.161 -6.961 -2.041 1.00 0.00 H new ATOM 433 N ARG A 31 -6.447 -5.991 -6.780 1.00 0.00 N ATOM 434 CA ARG A 31 -5.132 -6.620 -6.788 1.00 0.00 C ATOM 435 C ARG A 31 -4.051 -5.628 -7.208 1.00 0.00 C ATOM 436 O ARG A 31 -2.907 -5.718 -6.764 1.00 0.00 O ATOM 437 CB ARG A 31 -5.127 -7.825 -7.730 1.00 0.00 C ATOM 438 CG ARG A 31 -3.889 -8.697 -7.597 1.00 0.00 C ATOM 439 CD ARG A 31 -3.614 -9.474 -8.875 1.00 0.00 C ATOM 440 NE ARG A 31 -2.575 -10.482 -8.688 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.088 -11.237 -9.671 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.545 -11.100 -10.910 1.00 0.00 N ATOM 443 NH2 ARG A 31 -1.144 -12.131 -9.414 1.00 0.00 N ATOM 0 H ARG A 31 -6.950 -6.055 -7.665 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.914 -6.956 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.011 -8.432 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.204 -7.472 -8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.028 -8.074 -7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.020 -9.393 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.532 -9.957 -9.210 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.312 -8.783 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.200 -10.616 -7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.272 -10.414 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.169 -11.681 -11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.791 -12.241 -8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.771 -12.709 -10.167 1.00 0.00 H new ATOM 457 N LEU A 32 -4.421 -4.685 -8.068 1.00 0.00 N ATOM 458 CA LEU A 32 -3.481 -3.679 -8.549 1.00 0.00 C ATOM 459 C LEU A 32 -3.174 -2.654 -7.465 1.00 0.00 C ATOM 460 O LEU A 32 -2.029 -2.231 -7.299 1.00 0.00 O ATOM 461 CB LEU A 32 -4.045 -2.977 -9.786 1.00 0.00 C ATOM 462 CG LEU A 32 -3.797 -3.703 -11.108 1.00 0.00 C ATOM 463 CD1 LEU A 32 -4.824 -3.285 -12.148 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.387 -3.431 -11.608 1.00 0.00 C ATOM 0 H LEU A 32 -5.364 -4.596 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.553 -4.184 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.119 -2.849 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.611 -1.979 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.900 -4.775 -10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.631 -3.812 -13.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.824 -3.532 -11.792 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.754 -2.210 -12.317 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.228 -3.956 -12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.256 -2.360 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.665 -3.782 -10.870 1.00 0.00 H new ATOM 476 N TYR A 33 -4.204 -2.257 -6.728 1.00 0.00 N ATOM 477 CA TYR A 33 -4.049 -1.282 -5.657 1.00 0.00 C ATOM 478 C TYR A 33 -3.210 -1.854 -4.518 1.00 0.00 C ATOM 479 O TYR A 33 -2.583 -1.111 -3.762 1.00 0.00 O ATOM 480 CB TYR A 33 -5.418 -0.851 -5.130 1.00 0.00 C ATOM 481 CG TYR A 33 -5.364 0.342 -4.203 1.00 0.00 C ATOM 482 CD1 TYR A 33 -4.953 0.203 -2.883 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.724 1.608 -4.648 1.00 0.00 C ATOM 484 CE1 TYR A 33 -4.903 1.292 -2.033 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.677 2.701 -3.804 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.266 2.538 -2.498 1.00 0.00 C ATOM 487 OH TYR A 33 -5.217 3.624 -1.656 1.00 0.00 O ATOM 0 H TYR A 33 -5.158 -2.597 -6.853 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.533 -0.412 -6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.065 -0.614 -5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.875 -1.689 -4.603 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.668 -0.772 -2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.046 1.740 -5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.581 1.167 -1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.961 3.678 -4.166 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.504 4.426 -2.140 1.00 0.00 H new ATOM 497 N GLU A 34 -3.204 -3.178 -4.400 1.00 0.00 N ATOM 498 CA GLU A 34 -2.441 -3.848 -3.353 1.00 0.00 C ATOM 499 C GLU A 34 -0.984 -4.029 -3.770 1.00 0.00 C ATOM 500 O GLU A 34 -0.085 -4.036 -2.930 1.00 0.00 O ATOM 501 CB GLU A 34 -3.067 -5.207 -3.030 1.00 0.00 C ATOM 502 CG GLU A 34 -3.917 -5.199 -1.770 1.00 0.00 C ATOM 503 CD GLU A 34 -3.794 -6.486 -0.977 1.00 0.00 C ATOM 504 OE1 GLU A 34 -2.650 -6.912 -0.710 1.00 0.00 O ATOM 505 OE2 GLU A 34 -4.841 -7.069 -0.624 1.00 0.00 O ATOM 0 H GLU A 34 -3.718 -3.808 -5.016 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.467 -3.222 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.683 -5.524 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.274 -5.946 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.621 -4.359 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.961 -5.042 -2.041 1.00 0.00 H new ATOM 512 N GLU A 35 -0.761 -4.174 -5.072 1.00 0.00 N ATOM 513 CA GLU A 35 0.587 -4.355 -5.600 1.00 0.00 C ATOM 514 C GLU A 35 1.475 -3.164 -5.252 1.00 0.00 C ATOM 515 O GLU A 35 2.681 -3.312 -5.058 1.00 0.00 O ATOM 516 CB GLU A 35 0.542 -4.545 -7.118 1.00 0.00 C ATOM 517 CG GLU A 35 0.015 -5.905 -7.544 1.00 0.00 C ATOM 518 CD GLU A 35 1.121 -6.851 -7.968 1.00 0.00 C ATOM 519 OE1 GLU A 35 2.263 -6.680 -7.493 1.00 0.00 O ATOM 520 OE2 GLU A 35 0.845 -7.764 -8.775 1.00 0.00 O ATOM 0 H GLU A 35 -1.495 -4.170 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 35 1.012 -5.248 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.085 -3.768 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.545 -4.410 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.542 -6.349 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.685 -5.777 -8.369 1.00 0.00 H new ATOM 527 N VAL A 36 0.870 -1.982 -5.177 1.00 0.00 N ATOM 528 CA VAL A 36 1.606 -0.767 -4.854 1.00 0.00 C ATOM 529 C VAL A 36 1.774 -0.606 -3.347 1.00 0.00 C ATOM 530 O VAL A 36 2.758 -0.033 -2.879 1.00 0.00 O ATOM 531 CB VAL A 36 0.900 0.483 -5.415 1.00 0.00 C ATOM 532 CG1 VAL A 36 1.014 0.525 -6.932 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.557 0.513 -4.982 1.00 0.00 C ATOM 0 H VAL A 36 -0.128 -1.841 -5.336 1.00 0.00 H new ATOM 0 HA VAL A 36 2.588 -0.862 -5.317 1.00 0.00 H new ATOM 0 HB VAL A 36 1.393 1.368 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.510 1.414 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.066 0.555 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.548 -0.364 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.039 1.403 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.065 -0.377 -5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.613 0.535 -3.894 1.00 0.00 H new ATOM 543 N MET A 37 0.807 -1.116 -2.591 1.00 0.00 N ATOM 544 CA MET A 37 0.848 -1.029 -1.136 1.00 0.00 C ATOM 545 C MET A 37 2.083 -1.734 -0.581 1.00 0.00 C ATOM 546 O MET A 37 2.620 -1.342 0.454 1.00 0.00 O ATOM 547 CB MET A 37 -0.416 -1.640 -0.531 1.00 0.00 C ATOM 548 CG MET A 37 -1.623 -0.717 -0.585 1.00 0.00 C ATOM 549 SD MET A 37 -2.846 -1.099 0.683 1.00 0.00 S ATOM 550 CE MET A 37 -2.000 -0.526 2.154 1.00 0.00 C ATOM 0 H MET A 37 -0.014 -1.594 -2.962 1.00 0.00 H new ATOM 0 HA MET A 37 0.901 0.025 -0.863 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.652 -2.564 -1.059 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.219 -1.907 0.507 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.292 0.315 -0.466 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.089 -0.791 -1.568 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.728 -0.342 2.944 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.290 -1.284 2.484 1.00 0.00 H new ATOM 0 HE3 MET A 37 -1.466 0.398 1.930 1.00 0.00 H new ATOM 560 N LEU A 38 2.526 -2.776 -1.277 1.00 0.00 N ATOM 561 CA LEU A 38 3.696 -3.535 -0.853 1.00 0.00 C ATOM 562 C LEU A 38 4.983 -2.800 -1.212 1.00 0.00 C ATOM 563 O LEU A 38 5.988 -2.909 -0.510 1.00 0.00 O ATOM 564 CB LEU A 38 3.690 -4.923 -1.499 1.00 0.00 C ATOM 565 CG LEU A 38 2.460 -5.777 -1.186 1.00 0.00 C ATOM 566 CD1 LEU A 38 2.283 -6.860 -2.238 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.579 -6.391 0.201 1.00 0.00 C ATOM 0 H LEU A 38 2.093 -3.114 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 38 3.653 -3.645 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.766 -4.804 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.580 -5.462 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 38 1.579 -5.135 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.403 -7.458 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.154 -6.399 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.165 -7.501 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.696 -6.995 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.468 -7.020 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.658 -5.598 0.944 1.00 0.00 H new ATOM 579 N GLU A 39 4.944 -2.050 -2.309 1.00 0.00 N ATOM 580 CA GLU A 39 6.108 -1.297 -2.760 1.00 0.00 C ATOM 581 C GLU A 39 6.473 -0.205 -1.758 1.00 0.00 C ATOM 582 O GLU A 39 7.644 0.144 -1.604 1.00 0.00 O ATOM 583 CB GLU A 39 5.840 -0.680 -4.136 1.00 0.00 C ATOM 584 CG GLU A 39 6.588 -1.368 -5.266 1.00 0.00 C ATOM 585 CD GLU A 39 7.294 -0.386 -6.181 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.598 0.369 -6.892 1.00 0.00 O ATOM 587 OE2 GLU A 39 8.543 -0.374 -6.188 1.00 0.00 O ATOM 0 H GLU A 39 4.120 -1.948 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 39 6.949 -1.986 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.770 -0.721 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.120 0.373 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.320 -2.058 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.887 -1.964 -5.850 1.00 0.00 H new ATOM 594 N THR A 40 5.463 0.330 -1.079 1.00 0.00 N ATOM 595 CA THR A 40 5.679 1.382 -0.092 1.00 0.00 C ATOM 596 C THR A 40 5.499 0.845 1.325 1.00 0.00 C ATOM 597 O THR A 40 4.877 1.489 2.170 1.00 0.00 O ATOM 598 CB THR A 40 4.714 2.544 -0.337 1.00 0.00 C ATOM 599 OG1 THR A 40 4.507 2.741 -1.724 1.00 0.00 O ATOM 600 CG2 THR A 40 5.196 3.854 0.246 1.00 0.00 C ATOM 0 H THR A 40 4.488 0.053 -1.194 1.00 0.00 H new ATOM 0 HA THR A 40 6.703 1.740 -0.197 1.00 0.00 H new ATOM 0 HB THR A 40 3.788 2.261 0.163 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.886 3.487 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.466 4.636 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.317 3.750 1.324 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.153 4.122 -0.202 1.00 0.00 H new ATOM 608 N TYR A 41 6.048 -0.339 1.577 1.00 0.00 N ATOM 609 CA TYR A 41 5.948 -0.962 2.892 1.00 0.00 C ATOM 610 C TYR A 41 7.035 -2.015 3.079 1.00 0.00 C ATOM 611 O TYR A 41 7.805 -1.964 4.038 1.00 0.00 O ATOM 612 CB TYR A 41 4.570 -1.598 3.074 1.00 0.00 C ATOM 613 CG TYR A 41 4.090 -1.605 4.508 1.00 0.00 C ATOM 614 CD1 TYR A 41 3.652 -0.438 5.121 1.00 0.00 C ATOM 615 CD2 TYR A 41 4.078 -2.780 5.250 1.00 0.00 C ATOM 616 CE1 TYR A 41 3.215 -0.441 6.432 1.00 0.00 C ATOM 617 CE2 TYR A 41 3.642 -2.791 6.562 1.00 0.00 C ATOM 618 CZ TYR A 41 3.210 -1.619 7.147 1.00 0.00 C ATOM 619 OH TYR A 41 2.776 -1.627 8.452 1.00 0.00 O ATOM 0 H TYR A 41 6.566 -0.886 0.889 1.00 0.00 H new ATOM 0 HA TYR A 41 6.085 -0.186 3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.847 -1.060 2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.601 -2.623 2.705 1.00 0.00 H new ATOM 0 HD1 TYR A 41 3.653 0.487 4.564 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.415 -3.699 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.879 0.476 6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.640 -3.712 7.126 1.00 0.00 H new ATOM 0 HH TYR A 41 2.835 -2.537 8.811 1.00 0.00 H new ATOM 629 N GLN A 42 7.090 -2.971 2.158 1.00 0.00 N ATOM 630 CA GLN A 42 8.082 -4.038 2.223 1.00 0.00 C ATOM 631 C GLN A 42 9.440 -3.550 1.731 1.00 0.00 C ATOM 632 O GLN A 42 10.482 -4.023 2.187 1.00 0.00 O ATOM 633 CB GLN A 42 7.626 -5.238 1.390 1.00 0.00 C ATOM 634 CG GLN A 42 8.400 -6.512 1.686 1.00 0.00 C ATOM 635 CD GLN A 42 7.614 -7.763 1.343 1.00 0.00 C ATOM 636 OE1 GLN A 42 8.054 -8.586 0.540 1.00 0.00 O ATOM 637 NE2 GLN A 42 6.444 -7.911 1.953 1.00 0.00 N ATOM 0 H GLN A 42 6.460 -3.029 1.358 1.00 0.00 H new ATOM 0 HA GLN A 42 8.182 -4.344 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.566 -5.415 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.731 -4.996 0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.332 -6.506 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.668 -6.533 2.742 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.119 -7.203 2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.870 -8.733 1.763 1.00 0.00 H new ATOM 646 N ASN A 43 9.423 -2.603 0.800 1.00 0.00 N ATOM 647 CA ASN A 43 10.655 -2.052 0.247 1.00 0.00 C ATOM 648 C ASN A 43 11.001 -0.721 0.907 1.00 0.00 C ATOM 649 O ASN A 43 12.172 -0.409 1.119 1.00 0.00 O ATOM 650 CB ASN A 43 10.519 -1.864 -1.266 1.00 0.00 C ATOM 651 CG ASN A 43 10.430 -3.185 -2.005 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.396 -3.629 -2.626 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.266 -3.820 -1.943 1.00 0.00 N ATOM 0 H ASN A 43 8.570 -2.201 0.412 1.00 0.00 H new ATOM 0 HA ASN A 43 11.462 -2.757 0.449 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.629 -1.271 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.374 -1.299 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.146 -4.713 -2.422 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.492 -3.415 -1.417 1.00 0.00 H new ATOM 660 N LEU A 44 9.974 0.058 1.228 1.00 0.00 N ATOM 661 CA LEU A 44 10.169 1.357 1.864 1.00 0.00 C ATOM 662 C LEU A 44 11.023 2.268 0.987 1.00 0.00 C ATOM 663 O LEU A 44 11.770 3.108 1.489 1.00 0.00 O ATOM 664 CB LEU A 44 10.824 1.182 3.237 1.00 0.00 C ATOM 665 CG LEU A 44 9.850 1.072 4.411 1.00 0.00 C ATOM 666 CD1 LEU A 44 10.579 0.631 5.670 1.00 0.00 C ATOM 667 CD2 LEU A 44 9.140 2.398 4.640 1.00 0.00 C ATOM 0 H LEU A 44 8.998 -0.187 1.059 1.00 0.00 H new ATOM 0 HA LEU A 44 9.192 1.823 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.445 0.286 3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.490 2.027 3.415 1.00 0.00 H new ATOM 0 HG LEU A 44 9.101 0.319 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.870 0.558 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.040 -0.342 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.350 1.360 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.451 2.302 5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.876 3.171 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.584 2.673 3.744 1.00 0.00 H new ATOM 679 N THR A 45 10.905 2.096 -0.325 1.00 0.00 N ATOM 680 CA THR A 45 11.665 2.902 -1.274 1.00 0.00 C ATOM 681 C THR A 45 11.311 4.382 -1.151 1.00 0.00 C ATOM 682 O THR A 45 12.066 5.247 -1.596 1.00 0.00 O ATOM 683 CB THR A 45 11.406 2.422 -2.703 1.00 0.00 C ATOM 684 OG1 THR A 45 11.390 1.007 -2.762 1.00 0.00 O ATOM 685 CG2 THR A 45 12.440 2.910 -3.695 1.00 0.00 C ATOM 0 H THR A 45 10.290 1.406 -0.756 1.00 0.00 H new ATOM 0 HA THR A 45 12.723 2.784 -1.041 1.00 0.00 H new ATOM 0 HB THR A 45 10.437 2.840 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.221 0.720 -3.684 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.197 2.534 -4.689 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.443 4.000 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.425 2.548 -3.401 1.00 0.00 H new ATOM 693 N ASP A 46 10.164 4.667 -0.545 1.00 0.00 N ATOM 694 CA ASP A 46 9.717 6.043 -0.366 1.00 0.00 C ATOM 695 C ASP A 46 10.587 6.770 0.657 1.00 0.00 C ATOM 696 O ASP A 46 10.128 7.114 1.745 1.00 0.00 O ATOM 697 CB ASP A 46 8.253 6.072 0.078 1.00 0.00 C ATOM 698 CG ASP A 46 7.644 7.456 -0.030 1.00 0.00 C ATOM 699 OD1 ASP A 46 7.889 8.135 -1.050 1.00 0.00 O ATOM 700 OD2 ASP A 46 6.920 7.861 0.904 1.00 0.00 O ATOM 0 H ASP A 46 9.527 3.964 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 46 9.809 6.556 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.677 5.376 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.182 5.726 1.109 1.00 0.00 H new ATOM 705 N ILE A 47 11.846 6.999 0.297 1.00 0.00 N ATOM 706 CA ILE A 47 12.780 7.684 1.181 1.00 0.00 C ATOM 707 C ILE A 47 13.188 9.039 0.610 1.00 0.00 C ATOM 708 O ILE A 47 13.425 9.990 1.352 1.00 0.00 O ATOM 709 CB ILE A 47 14.047 6.841 1.423 1.00 0.00 C ATOM 710 CG1 ILE A 47 13.668 5.411 1.811 1.00 0.00 C ATOM 711 CG2 ILE A 47 14.912 7.477 2.500 1.00 0.00 C ATOM 712 CD1 ILE A 47 14.835 4.449 1.795 1.00 0.00 C ATOM 0 H ILE A 47 12.242 6.720 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 47 12.264 7.833 2.129 1.00 0.00 H new ATOM 0 HB ILE A 47 14.623 6.806 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.228 5.419 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.900 5.049 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.802 6.868 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.208 8.478 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.347 7.541 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 47 14.491 3.455 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.262 4.411 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.594 4.786 2.500 1.00 0.00 H new ATOM 724 N GLY A 48 13.267 9.117 -0.715 1.00 0.00 N ATOM 725 CA GLY A 48 13.646 10.357 -1.363 1.00 0.00 C ATOM 726 C GLY A 48 15.119 10.397 -1.724 1.00 0.00 C ATOM 727 O GLY A 48 15.505 11.017 -2.715 1.00 0.00 O ATOM 0 H GLY A 48 13.075 8.343 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.050 10.488 -2.266 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.414 11.193 -0.704 1.00 0.00 H new ATOM 731 N TYR A 49 15.941 9.734 -0.917 1.00 0.00 N ATOM 732 CA TYR A 49 17.379 9.696 -1.156 1.00 0.00 C ATOM 733 C TYR A 49 17.883 8.256 -1.212 1.00 0.00 C ATOM 734 O TYR A 49 17.601 7.456 -0.320 1.00 0.00 O ATOM 735 CB TYR A 49 18.120 10.466 -0.061 1.00 0.00 C ATOM 736 CG TYR A 49 19.619 10.510 -0.260 1.00 0.00 C ATOM 737 CD1 TYR A 49 20.167 10.918 -1.469 1.00 0.00 C ATOM 738 CD2 TYR A 49 20.485 10.145 0.764 1.00 0.00 C ATOM 739 CE1 TYR A 49 21.536 10.958 -1.655 1.00 0.00 C ATOM 740 CE2 TYR A 49 21.856 10.184 0.587 1.00 0.00 C ATOM 741 CZ TYR A 49 22.375 10.591 -0.623 1.00 0.00 C ATOM 742 OH TYR A 49 23.739 10.632 -0.804 1.00 0.00 O ATOM 0 H TYR A 49 15.636 9.216 -0.093 1.00 0.00 H new ATOM 0 HA TYR A 49 17.575 10.169 -2.118 1.00 0.00 H new ATOM 0 HB2 TYR A 49 17.737 11.486 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 49 17.903 10.008 0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 49 19.513 11.209 -2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 49 20.081 9.826 1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 49 21.947 11.275 -2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 49 22.516 9.897 1.392 1.00 0.00 H new ATOM 0 HH TYR A 49 24.187 10.344 0.019 1.00 0.00 H new ATOM 752 N ASN A 50 18.627 7.937 -2.264 1.00 0.00 N ATOM 753 CA ASN A 50 19.170 6.594 -2.436 1.00 0.00 C ATOM 754 C ASN A 50 20.657 6.561 -2.094 1.00 0.00 C ATOM 755 O ASN A 50 21.466 7.226 -2.739 1.00 0.00 O ATOM 756 CB ASN A 50 18.952 6.114 -3.873 1.00 0.00 C ATOM 757 CG ASN A 50 17.885 5.040 -3.968 1.00 0.00 C ATOM 758 OD1 ASN A 50 16.825 5.253 -4.555 1.00 0.00 O ATOM 759 ND2 ASN A 50 18.163 3.878 -3.389 1.00 0.00 N ATOM 0 H ASN A 50 18.868 8.589 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 50 18.645 5.925 -1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.668 6.961 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 50 19.890 5.726 -4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.484 3.117 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 50 19.055 3.746 -2.913 1.00 0.00 H new ATOM 766 N TRP A 51 21.009 5.780 -1.078 1.00 0.00 N ATOM 767 CA TRP A 51 22.399 5.660 -0.654 1.00 0.00 C ATOM 768 C TRP A 51 22.762 4.211 -0.333 1.00 0.00 C ATOM 769 O TRP A 51 23.797 3.944 0.276 1.00 0.00 O ATOM 770 CB TRP A 51 22.659 6.545 0.567 1.00 0.00 C ATOM 771 CG TRP A 51 21.682 6.323 1.681 1.00 0.00 C ATOM 772 CD1 TRP A 51 20.488 6.959 1.865 1.00 0.00 C ATOM 773 CD2 TRP A 51 21.817 5.401 2.768 1.00 0.00 C ATOM 774 NE1 TRP A 51 19.872 6.489 2.999 1.00 0.00 N ATOM 775 CE2 TRP A 51 20.668 5.532 3.571 1.00 0.00 C ATOM 776 CE3 TRP A 51 22.798 4.476 3.140 1.00 0.00 C ATOM 777 CZ2 TRP A 51 20.475 4.773 4.723 1.00 0.00 C ATOM 778 CZ3 TRP A 51 22.604 3.724 4.284 1.00 0.00 C ATOM 779 CH2 TRP A 51 21.450 3.876 5.063 1.00 0.00 C ATOM 0 H TRP A 51 20.352 5.221 -0.534 1.00 0.00 H new ATOM 0 HA TRP A 51 23.028 5.992 -1.480 1.00 0.00 H new ATOM 0 HB2 TRP A 51 23.668 6.357 0.935 1.00 0.00 H new ATOM 0 HB3 TRP A 51 22.621 7.591 0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 51 20.086 7.721 1.214 1.00 0.00 H new ATOM 0 HE1 TRP A 51 18.969 6.801 3.357 1.00 0.00 H new ATOM 0 HE3 TRP A 51 23.690 4.351 2.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.587 4.889 5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 23.355 3.007 4.582 1.00 0.00 H new ATOM 0 HH2 TRP A 51 21.328 3.273 5.950 1.00 0.00 H new ATOM 790 N GLN A 52 21.907 3.277 -0.746 1.00 0.00 N ATOM 791 CA GLN A 52 22.148 1.859 -0.497 1.00 0.00 C ATOM 792 C GLN A 52 22.366 1.099 -1.802 1.00 0.00 C ATOM 793 O GLN A 52 23.049 0.076 -1.831 1.00 0.00 O ATOM 794 CB GLN A 52 20.975 1.246 0.271 1.00 0.00 C ATOM 795 CG GLN A 52 20.645 1.977 1.562 1.00 0.00 C ATOM 796 CD GLN A 52 19.233 1.701 2.043 1.00 0.00 C ATOM 797 OE1 GLN A 52 18.779 0.557 2.042 1.00 0.00 O ATOM 798 NE2 GLN A 52 18.533 2.750 2.457 1.00 0.00 N ATOM 0 H GLN A 52 21.045 3.477 -1.253 1.00 0.00 H new ATOM 0 HA GLN A 52 23.053 1.776 0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 52 20.094 1.243 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.206 0.206 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 52 21.353 1.679 2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.770 3.049 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 52 18.950 3.681 2.440 1.00 0.00 H new ATOM 0 HE22 GLN A 52 17.578 2.626 2.792 1.00 0.00 H new ATOM 807 N ASP A 53 21.780 1.607 -2.877 1.00 0.00 N ATOM 808 CA ASP A 53 21.904 0.979 -4.188 1.00 0.00 C ATOM 809 C ASP A 53 22.553 1.928 -5.191 1.00 0.00 C ATOM 810 O ASP A 53 23.302 1.499 -6.070 1.00 0.00 O ATOM 811 CB ASP A 53 20.530 0.541 -4.699 1.00 0.00 C ATOM 812 CG ASP A 53 20.580 -0.784 -5.433 1.00 0.00 C ATOM 813 OD1 ASP A 53 21.362 -1.665 -5.016 1.00 0.00 O ATOM 814 OD2 ASP A 53 19.839 -0.942 -6.426 1.00 0.00 O ATOM 0 H ASP A 53 21.212 2.454 -2.868 1.00 0.00 H new ATOM 0 HA ASP A 53 22.542 0.102 -4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 53 19.841 0.461 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 53 20.132 1.307 -5.365 1.00 0.00 H new ATOM 819 N HIS A 54 22.259 3.218 -5.058 1.00 0.00 N ATOM 820 CA HIS A 54 22.814 4.226 -5.955 1.00 0.00 C ATOM 821 C HIS A 54 22.349 3.991 -7.390 1.00 0.00 C ATOM 822 O HIS A 54 23.125 4.129 -8.335 1.00 0.00 O ATOM 823 CB HIS A 54 24.343 4.215 -5.891 1.00 0.00 C ATOM 824 CG HIS A 54 24.904 5.108 -4.829 1.00 0.00 C ATOM 825 ND1 HIS A 54 24.462 5.389 -3.580 1.00 0.00 N flip ATOM 826 CD2 HIS A 54 26.061 5.840 -4.996 1.00 0.00 C flip ATOM 827 CE1 HIS A 54 25.351 6.274 -3.022 1.00 0.00 C flip ATOM 828 NE2 HIS A 54 26.308 6.530 -3.896 1.00 0.00 N flip ATOM 0 H HIS A 54 21.640 3.590 -4.338 1.00 0.00 H new ATOM 0 HA HIS A 54 22.454 5.202 -5.630 1.00 0.00 H new ATOM 0 HB2 HIS A 54 24.684 3.195 -5.714 1.00 0.00 H new ATOM 0 HB3 HIS A 54 24.741 4.520 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 54 26.671 5.848 -5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 54 25.280 6.693 -2.029 1.00 0.00 H new ATOM 0 HE2 HIS A 54 27.102 7.153 -3.747 1.00 0.00 H new ATOM 836 N HIS A 55 21.078 3.634 -7.543 1.00 0.00 N ATOM 837 CA HIS A 55 20.509 3.378 -8.861 1.00 0.00 C ATOM 838 C HIS A 55 19.204 4.145 -9.047 1.00 0.00 C ATOM 839 O HIS A 55 18.287 4.038 -8.233 1.00 0.00 O ATOM 840 CB HIS A 55 20.266 1.880 -9.054 1.00 0.00 C ATOM 841 CG HIS A 55 20.203 1.464 -10.490 1.00 0.00 C ATOM 842 ND1 HIS A 55 21.305 1.032 -11.198 1.00 0.00 N ATOM 843 CD2 HIS A 55 19.161 1.415 -11.354 1.00 0.00 C ATOM 844 CE1 HIS A 55 20.944 0.736 -12.434 1.00 0.00 C ATOM 845 NE2 HIS A 55 19.649 0.958 -12.554 1.00 0.00 N ATOM 0 H HIS A 55 20.423 3.515 -6.771 1.00 0.00 H new ATOM 0 HA HIS A 55 21.222 3.722 -9.610 1.00 0.00 H new ATOM 0 HB2 HIS A 55 21.062 1.324 -8.558 1.00 0.00 H new ATOM 0 HB3 HIS A 55 19.332 1.606 -8.563 1.00 0.00 H new ATOM 0 HD2 HIS A 55 18.137 1.685 -11.139 1.00 0.00 H new ATOM 0 HE1 HIS A 55 21.598 0.374 -13.214 1.00 0.00 H new ATOM 0 HE2 HIS A 55 19.099 0.814 -13.401 1.00 0.00 H new ATOM 853 N ILE A 56 19.126 4.920 -10.125 1.00 0.00 N ATOM 854 CA ILE A 56 17.934 5.705 -10.419 1.00 0.00 C ATOM 855 C ILE A 56 16.777 4.806 -10.845 1.00 0.00 C ATOM 856 O ILE A 56 16.898 4.029 -11.792 1.00 0.00 O ATOM 857 CB ILE A 56 18.205 6.745 -11.525 1.00 0.00 C ATOM 858 CG1 ILE A 56 16.975 7.630 -11.741 1.00 0.00 C ATOM 859 CG2 ILE A 56 18.601 6.054 -12.822 1.00 0.00 C ATOM 860 CD1 ILE A 56 16.615 8.468 -10.534 1.00 0.00 C ATOM 0 H ILE A 56 19.876 5.020 -10.809 1.00 0.00 H new ATOM 0 HA ILE A 56 17.662 6.228 -9.502 1.00 0.00 H new ATOM 0 HB ILE A 56 19.033 7.379 -11.207 1.00 0.00 H new ATOM 0 HG12 ILE A 56 17.156 8.289 -12.590 1.00 0.00 H new ATOM 0 HG13 ILE A 56 16.125 7.000 -12.002 1.00 0.00 H new ATOM 0 HG21 ILE A 56 18.788 6.803 -13.591 1.00 0.00 H new ATOM 0 HG22 ILE A 56 19.505 5.466 -12.660 1.00 0.00 H new ATOM 0 HG23 ILE A 56 17.794 5.397 -13.145 1.00 0.00 H new ATOM 0 HD11 ILE A 56 15.734 9.070 -10.758 1.00 0.00 H new ATOM 0 HD12 ILE A 56 16.402 7.815 -9.688 1.00 0.00 H new ATOM 0 HD13 ILE A 56 17.449 9.124 -10.285 1.00 0.00 H new ATOM 872 N GLU A 57 15.657 4.919 -10.138 1.00 0.00 N ATOM 873 CA GLU A 57 14.477 4.116 -10.443 1.00 0.00 C ATOM 874 C GLU A 57 13.500 4.897 -11.316 1.00 0.00 C ATOM 875 O GLU A 57 13.779 6.027 -11.720 1.00 0.00 O ATOM 876 CB GLU A 57 13.788 3.673 -9.150 1.00 0.00 C ATOM 877 CG GLU A 57 13.567 2.171 -9.063 1.00 0.00 C ATOM 878 CD GLU A 57 14.498 1.500 -8.072 1.00 0.00 C ATOM 879 OE1 GLU A 57 15.586 2.055 -7.810 1.00 0.00 O ATOM 880 OE2 GLU A 57 14.139 0.420 -7.558 1.00 0.00 O ATOM 0 H GLU A 57 15.541 5.558 -9.351 1.00 0.00 H new ATOM 0 HA GLU A 57 14.800 3.232 -10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.389 3.993 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.826 4.179 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.534 1.976 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.712 1.729 -10.049 1.00 0.00 H new ATOM 887 N GLU A 58 12.355 4.290 -11.604 1.00 0.00 N ATOM 888 CA GLU A 58 11.337 4.929 -12.430 1.00 0.00 C ATOM 889 C GLU A 58 9.958 4.340 -12.150 1.00 0.00 C ATOM 890 O GLU A 58 9.811 3.453 -11.309 1.00 0.00 O ATOM 891 CB GLU A 58 11.681 4.771 -13.913 1.00 0.00 C ATOM 892 CG GLU A 58 11.350 5.997 -14.748 1.00 0.00 C ATOM 893 CD GLU A 58 12.348 6.226 -15.867 1.00 0.00 C ATOM 894 OE1 GLU A 58 13.512 6.560 -15.564 1.00 0.00 O ATOM 895 OE2 GLU A 58 11.964 6.071 -17.045 1.00 0.00 O ATOM 0 H GLU A 58 12.108 3.356 -11.278 1.00 0.00 H new ATOM 0 HA GLU A 58 11.316 5.990 -12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.744 4.552 -14.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.141 3.913 -14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.353 5.884 -15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.325 6.875 -14.103 1.00 0.00 H new ATOM 902 N SER A 59 8.952 4.839 -12.859 1.00 0.00 N ATOM 903 CA SER A 59 7.584 4.362 -12.687 1.00 0.00 C ATOM 904 C SER A 59 7.122 3.582 -13.914 1.00 0.00 C ATOM 905 O SER A 59 6.081 3.884 -14.499 1.00 0.00 O ATOM 906 CB SER A 59 6.642 5.540 -12.426 1.00 0.00 C ATOM 907 OG SER A 59 5.286 5.126 -12.453 1.00 0.00 O ATOM 0 H SER A 59 9.057 5.574 -13.559 1.00 0.00 H new ATOM 0 HA SER A 59 7.562 3.693 -11.827 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.870 5.984 -11.457 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.804 6.313 -13.177 1.00 0.00 H new ATOM 0 HG SER A 59 5.062 4.798 -13.349 1.00 0.00 H new ATOM 913 N GLY A 60 7.902 2.578 -14.299 1.00 0.00 N ATOM 914 CA GLY A 60 7.557 1.770 -15.454 1.00 0.00 C ATOM 915 C GLY A 60 8.589 0.696 -15.740 1.00 0.00 C ATOM 916 O GLY A 60 9.529 0.924 -16.503 1.00 0.00 O ATOM 0 H GLY A 60 8.768 2.309 -13.832 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.586 1.302 -15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.456 2.414 -16.327 1.00 0.00 H new ATOM 920 N PRO A 61 8.441 -0.497 -15.139 1.00 0.00 N ATOM 921 CA PRO A 61 9.378 -1.608 -15.345 1.00 0.00 C ATOM 922 C PRO A 61 9.600 -1.911 -16.823 1.00 0.00 C ATOM 923 O PRO A 61 10.701 -2.277 -17.233 1.00 0.00 O ATOM 924 CB PRO A 61 8.693 -2.787 -14.653 1.00 0.00 C ATOM 925 CG PRO A 61 7.811 -2.164 -13.627 1.00 0.00 C ATOM 926 CD PRO A 61 7.350 -0.859 -14.215 1.00 0.00 C ATOM 0 HA PRO A 61 10.368 -1.384 -14.949 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.117 -3.382 -15.362 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.422 -3.455 -14.195 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.963 -2.810 -13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.351 -2.003 -12.694 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.400 -0.967 -14.738 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.206 -0.100 -13.446 1.00 0.00 H new ATOM 934 N SER A 62 8.546 -1.757 -17.618 1.00 0.00 N ATOM 935 CA SER A 62 8.626 -2.014 -19.051 1.00 0.00 C ATOM 936 C SER A 62 9.431 -0.927 -19.755 1.00 0.00 C ATOM 937 O SER A 62 9.183 0.263 -19.565 1.00 0.00 O ATOM 938 CB SER A 62 7.223 -2.099 -19.655 1.00 0.00 C ATOM 939 OG SER A 62 7.282 -2.319 -21.053 1.00 0.00 O ATOM 0 H SER A 62 7.627 -1.456 -17.294 1.00 0.00 H new ATOM 0 HA SER A 62 9.134 -2.968 -19.196 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.667 -2.907 -19.180 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.680 -1.176 -19.452 1.00 0.00 H new ATOM 0 HG SER A 62 6.373 -2.371 -21.415 1.00 0.00 H new ATOM 945 N SER A 63 10.397 -1.344 -20.567 1.00 0.00 N ATOM 946 CA SER A 63 11.239 -0.404 -21.298 1.00 0.00 C ATOM 947 C SER A 63 11.369 -0.816 -22.761 1.00 0.00 C ATOM 948 O SER A 63 12.395 -0.571 -23.396 1.00 0.00 O ATOM 949 CB SER A 63 12.624 -0.321 -20.655 1.00 0.00 C ATOM 950 OG SER A 63 13.340 0.807 -21.129 1.00 0.00 O ATOM 0 H SER A 63 10.616 -2.326 -20.735 1.00 0.00 H new ATOM 0 HA SER A 63 10.767 0.578 -21.255 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.522 -0.262 -19.571 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.185 -1.230 -20.873 1.00 0.00 H new ATOM 0 HG SER A 63 13.351 0.799 -22.109 1.00 0.00 H new ATOM 956 N GLY A 64 10.323 -1.442 -23.291 1.00 0.00 N ATOM 957 CA GLY A 64 10.342 -1.877 -24.675 1.00 0.00 C ATOM 958 C GLY A 64 10.180 -0.725 -25.647 1.00 0.00 C ATOM 959 O GLY A 64 9.855 0.393 -25.195 1.00 0.00 O ATOM 960 OXT GLY A 64 10.378 -0.941 -26.861 1.00 0.00 O ATOM 0 H GLY A 64 9.463 -1.656 -22.786 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.282 -2.391 -24.878 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.542 -2.600 -24.836 1.00 0.00 H new TER 964 GLY A 64