USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 588 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.122 (180deg=-0.227) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 149:sc= 0.134 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -156:sc= -0.293 (180deg=-1.15) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00806 K(o=-0.0081,f=-1) USER MOD Single : A 19 GLN : amide:sc= 1.02 K(o=1,f=-0.16) USER MOD Single : A 20 MET CE :methyl -145:sc= 0 (180deg=-0.521) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 53:sc= 1.28 USER MOD Single : A 32 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.00095) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 150:sc= -0.231 (180deg=-1.07) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 130:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -151:sc= -0.368 (180deg=-1.49!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 101:sc= 0.235 USER MOD Single : A 67 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.697 5.366 -11.230 1.00 0.00 N ATOM 2 CA MET A 1 -12.584 6.433 -11.678 1.00 0.00 C ATOM 3 C MET A 1 -11.823 7.746 -11.798 1.00 0.00 C ATOM 4 O MET A 1 -12.423 8.811 -11.924 1.00 0.00 O ATOM 5 CB MET A 1 -13.759 6.605 -10.711 1.00 0.00 C ATOM 6 CG MET A 1 -15.000 5.826 -11.104 1.00 0.00 C ATOM 7 SD MET A 1 -15.685 6.371 -12.682 1.00 0.00 S ATOM 8 CE MET A 1 -17.174 5.380 -12.771 1.00 0.00 C ATOM 0 H1 MET A 1 -12.256 4.514 -11.024 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.005 5.154 -11.976 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.197 5.669 -10.370 1.00 0.00 H new ATOM 0 HA MET A 1 -12.973 6.156 -12.658 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.446 6.291 -9.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.012 7.663 -10.647 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.756 4.765 -11.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.756 5.935 -10.326 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.707 5.606 -13.695 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.909 4.323 -12.754 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.814 5.607 -11.918 1.00 0.00 H new ATOM 18 N SER A 2 -10.500 7.672 -11.768 1.00 0.00 N ATOM 19 CA SER A 2 -9.684 8.873 -11.824 1.00 0.00 C ATOM 20 C SER A 2 -8.458 8.678 -12.710 1.00 0.00 C ATOM 21 O SER A 2 -7.793 7.643 -12.652 1.00 0.00 O ATOM 22 CB SER A 2 -9.247 9.272 -10.413 1.00 0.00 C ATOM 23 OG SER A 2 -10.371 9.425 -9.562 1.00 0.00 O ATOM 0 H SER A 2 -9.974 6.800 -11.706 1.00 0.00 H new ATOM 0 HA SER A 2 -10.289 9.668 -12.259 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.578 8.513 -10.007 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.685 10.205 -10.452 1.00 0.00 H new ATOM 0 HG SER A 2 -10.070 9.679 -8.665 1.00 0.00 H new ATOM 29 N THR A 3 -8.174 9.673 -13.539 1.00 0.00 N ATOM 30 CA THR A 3 -6.960 9.682 -14.335 1.00 0.00 C ATOM 31 C THR A 3 -5.801 10.222 -13.513 1.00 0.00 C ATOM 32 O THR A 3 -5.586 11.435 -13.427 1.00 0.00 O ATOM 33 CB THR A 3 -7.126 10.524 -15.604 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.035 11.606 -15.356 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.628 9.680 -16.759 1.00 0.00 C ATOM 0 H THR A 3 -8.773 10.487 -13.676 1.00 0.00 H new ATOM 0 HA THR A 3 -6.752 8.654 -14.633 1.00 0.00 H new ATOM 0 HB THR A 3 -6.150 10.925 -15.877 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.784 12.377 -15.906 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.736 10.304 -17.646 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.915 8.881 -16.963 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.594 9.247 -16.500 1.00 0.00 H new ATOM 43 N TYR A 4 -5.070 9.311 -12.899 1.00 0.00 N ATOM 44 CA TYR A 4 -4.010 9.669 -11.964 1.00 0.00 C ATOM 45 C TYR A 4 -2.796 10.248 -12.679 1.00 0.00 C ATOM 46 O TYR A 4 -2.161 11.175 -12.178 1.00 0.00 O ATOM 47 CB TYR A 4 -3.592 8.441 -11.143 1.00 0.00 C ATOM 48 CG TYR A 4 -2.529 8.731 -10.107 1.00 0.00 C ATOM 49 CD1 TYR A 4 -2.876 9.193 -8.845 1.00 0.00 C ATOM 50 CD2 TYR A 4 -1.181 8.543 -10.390 1.00 0.00 C ATOM 51 CE1 TYR A 4 -1.913 9.457 -7.894 1.00 0.00 C ATOM 52 CE2 TYR A 4 -0.213 8.806 -9.443 1.00 0.00 C ATOM 53 CZ TYR A 4 -0.585 9.263 -8.200 1.00 0.00 C ATOM 54 OH TYR A 4 0.377 9.525 -7.254 1.00 0.00 O ATOM 0 H TYR A 4 -5.190 8.307 -13.030 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.405 10.437 -11.299 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -4.471 8.033 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.225 7.671 -11.821 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.917 9.348 -8.604 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.887 8.186 -11.366 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -2.199 9.814 -6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 4 0.831 8.654 -9.676 1.00 0.00 H new ATOM 0 HH TYR A 4 1.263 9.336 -7.627 1.00 0.00 H new ATOM 64 N ASP A 5 -2.487 9.716 -13.851 1.00 0.00 N ATOM 65 CA ASP A 5 -1.248 10.072 -14.529 1.00 0.00 C ATOM 66 C ASP A 5 -1.530 10.894 -15.779 1.00 0.00 C ATOM 67 O ASP A 5 -2.654 10.906 -16.288 1.00 0.00 O ATOM 68 CB ASP A 5 -0.465 8.806 -14.899 1.00 0.00 C ATOM 69 CG ASP A 5 1.042 9.018 -14.906 1.00 0.00 C ATOM 70 OD1 ASP A 5 1.497 10.154 -15.172 1.00 0.00 O ATOM 71 OD2 ASP A 5 1.777 8.048 -14.631 1.00 0.00 O ATOM 0 H ASP A 5 -3.069 9.043 -14.349 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.649 10.676 -13.848 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.711 8.014 -14.192 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.783 8.464 -15.884 1.00 0.00 H new ATOM 76 N GLU A 6 -0.501 11.566 -16.266 1.00 0.00 N ATOM 77 CA GLU A 6 -0.585 12.389 -17.460 1.00 0.00 C ATOM 78 C GLU A 6 0.806 12.537 -18.065 1.00 0.00 C ATOM 79 O GLU A 6 1.666 13.231 -17.517 1.00 0.00 O ATOM 80 CB GLU A 6 -1.168 13.766 -17.122 1.00 0.00 C ATOM 81 CG GLU A 6 -1.326 14.686 -18.325 1.00 0.00 C ATOM 82 CD GLU A 6 -1.895 16.035 -17.948 1.00 0.00 C ATOM 83 OE1 GLU A 6 -1.112 16.929 -17.563 1.00 0.00 O ATOM 84 OE2 GLU A 6 -3.128 16.213 -18.035 1.00 0.00 O ATOM 0 H GLU A 6 0.425 11.555 -15.839 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.245 11.909 -18.182 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.142 13.631 -16.651 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.524 14.251 -16.389 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.356 14.824 -18.803 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.978 14.212 -19.059 1.00 0.00 H new ATOM 91 N ILE A 7 1.027 11.878 -19.191 1.00 0.00 N ATOM 92 CA ILE A 7 2.345 11.854 -19.812 1.00 0.00 C ATOM 93 C ILE A 7 2.275 12.463 -21.207 1.00 0.00 C ATOM 94 O ILE A 7 1.190 12.593 -21.770 1.00 0.00 O ATOM 95 CB ILE A 7 2.923 10.416 -19.927 1.00 0.00 C ATOM 96 CG1 ILE A 7 2.506 9.533 -18.742 1.00 0.00 C ATOM 97 CG2 ILE A 7 4.443 10.459 -20.023 1.00 0.00 C ATOM 98 CD1 ILE A 7 1.180 8.831 -18.941 1.00 0.00 C ATOM 0 H ILE A 7 0.313 11.352 -19.695 1.00 0.00 H new ATOM 0 HA ILE A 7 3.006 12.435 -19.169 1.00 0.00 H new ATOM 0 HB ILE A 7 2.512 9.977 -20.836 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.280 8.785 -18.568 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.450 10.149 -17.844 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.831 9.444 -20.103 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.736 11.030 -20.904 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.851 10.934 -19.131 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.953 8.227 -18.063 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.394 9.572 -19.084 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.237 8.188 -19.819 1.00 0.00 H new ATOM 110 N GLU A 8 3.422 12.842 -21.756 1.00 0.00 N ATOM 111 CA GLU A 8 3.475 13.415 -23.094 1.00 0.00 C ATOM 112 C GLU A 8 3.203 12.352 -24.153 1.00 0.00 C ATOM 113 O GLU A 8 3.490 11.168 -23.960 1.00 0.00 O ATOM 114 CB GLU A 8 4.836 14.070 -23.351 1.00 0.00 C ATOM 115 CG GLU A 8 5.132 15.249 -22.439 1.00 0.00 C ATOM 116 CD GLU A 8 6.445 15.925 -22.771 1.00 0.00 C ATOM 117 OE1 GLU A 8 6.471 16.759 -23.696 1.00 0.00 O ATOM 118 OE2 GLU A 8 7.461 15.621 -22.110 1.00 0.00 O ATOM 0 H GLU A 8 4.328 12.763 -21.295 1.00 0.00 H new ATOM 0 HA GLU A 8 2.700 14.178 -23.159 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.618 13.321 -23.227 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.877 14.405 -24.387 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.323 15.976 -22.516 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.155 14.907 -21.404 1.00 0.00 H new ATOM 125 N ILE A 9 2.657 12.795 -25.277 1.00 0.00 N ATOM 126 CA ILE A 9 2.308 11.910 -26.380 1.00 0.00 C ATOM 127 C ILE A 9 3.539 11.181 -26.926 1.00 0.00 C ATOM 128 O ILE A 9 3.446 10.041 -27.376 1.00 0.00 O ATOM 129 CB ILE A 9 1.613 12.700 -27.517 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.247 11.773 -28.676 1.00 0.00 C ATOM 131 CG2 ILE A 9 2.502 13.840 -28.004 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.525 12.475 -29.805 1.00 0.00 C ATOM 0 H ILE A 9 2.444 13.777 -25.450 1.00 0.00 H new ATOM 0 HA ILE A 9 1.615 11.163 -25.992 1.00 0.00 H new ATOM 0 HB ILE A 9 0.694 13.129 -27.118 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.156 11.315 -29.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.619 10.965 -28.300 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.995 14.382 -28.802 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.707 14.520 -27.177 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.441 13.434 -28.381 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.296 11.757 -30.593 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.402 12.910 -29.430 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.159 13.265 -30.207 1.00 0.00 H new ATOM 144 N GLU A 10 4.693 11.833 -26.850 1.00 0.00 N ATOM 145 CA GLU A 10 5.928 11.274 -27.384 1.00 0.00 C ATOM 146 C GLU A 10 6.396 10.073 -26.561 1.00 0.00 C ATOM 147 O GLU A 10 7.069 9.180 -27.083 1.00 0.00 O ATOM 148 CB GLU A 10 7.017 12.344 -27.424 1.00 0.00 C ATOM 149 CG GLU A 10 8.248 11.936 -28.211 1.00 0.00 C ATOM 150 CD GLU A 10 9.302 13.017 -28.232 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.130 14.005 -28.976 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.306 12.887 -27.504 1.00 0.00 O ATOM 0 H GLU A 10 4.799 12.753 -26.422 1.00 0.00 H new ATOM 0 HA GLU A 10 5.730 10.929 -28.399 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.604 13.254 -27.860 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.313 12.586 -26.403 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.670 11.030 -27.777 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.959 11.695 -29.234 1.00 0.00 H new ATOM 159 N ASP A 11 6.048 10.053 -25.279 1.00 0.00 N ATOM 160 CA ASP A 11 6.457 8.960 -24.395 1.00 0.00 C ATOM 161 C ASP A 11 5.573 7.735 -24.612 1.00 0.00 C ATOM 162 O ASP A 11 6.015 6.594 -24.435 1.00 0.00 O ATOM 163 CB ASP A 11 6.403 9.399 -22.927 1.00 0.00 C ATOM 164 CG ASP A 11 6.893 8.320 -21.975 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.123 8.104 -21.892 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.057 7.675 -21.313 1.00 0.00 O ATOM 0 H ASP A 11 5.487 10.775 -24.828 1.00 0.00 H new ATOM 0 HA ASP A 11 7.486 8.695 -24.638 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.010 10.295 -22.797 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.378 9.667 -22.669 1.00 0.00 H new ATOM 171 N MET A 12 4.325 7.984 -24.999 1.00 0.00 N ATOM 172 CA MET A 12 3.385 6.919 -25.342 1.00 0.00 C ATOM 173 C MET A 12 3.932 6.077 -26.488 1.00 0.00 C ATOM 174 O MET A 12 4.358 6.612 -27.512 1.00 0.00 O ATOM 175 CB MET A 12 2.030 7.510 -25.742 1.00 0.00 C ATOM 176 CG MET A 12 1.268 8.141 -24.586 1.00 0.00 C ATOM 177 SD MET A 12 0.615 6.915 -23.431 1.00 0.00 S ATOM 178 CE MET A 12 -0.482 5.994 -24.506 1.00 0.00 C ATOM 0 H MET A 12 3.938 8.924 -25.084 1.00 0.00 H new ATOM 0 HA MET A 12 3.253 6.286 -24.465 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.187 8.262 -26.515 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.417 6.723 -26.182 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.928 8.824 -24.051 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.445 8.737 -24.981 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.254 5.509 -23.909 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.948 6.674 -25.219 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.088 5.237 -25.045 1.00 0.00 H new ATOM 188 N THR A 13 3.916 4.765 -26.315 1.00 0.00 N ATOM 189 CA THR A 13 4.471 3.862 -27.306 1.00 0.00 C ATOM 190 C THR A 13 3.566 3.791 -28.528 1.00 0.00 C ATOM 191 O THR A 13 2.480 3.211 -28.485 1.00 0.00 O ATOM 192 CB THR A 13 4.668 2.453 -26.719 1.00 0.00 C ATOM 193 OG1 THR A 13 5.340 2.550 -25.456 1.00 0.00 O ATOM 194 CG2 THR A 13 5.484 1.578 -27.661 1.00 0.00 C ATOM 0 H THR A 13 3.523 4.303 -25.495 1.00 0.00 H new ATOM 0 HA THR A 13 5.444 4.251 -27.606 1.00 0.00 H new ATOM 0 HB THR A 13 3.687 1.996 -26.586 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.464 1.653 -25.082 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.608 0.588 -27.222 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.966 1.489 -28.616 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.463 2.030 -27.821 1.00 0.00 H new ATOM 202 N PHE A 14 4.009 4.397 -29.612 1.00 0.00 N ATOM 203 CA PHE A 14 3.221 4.432 -30.825 1.00 0.00 C ATOM 204 C PHE A 14 3.434 3.165 -31.637 1.00 0.00 C ATOM 205 O PHE A 14 4.562 2.709 -31.812 1.00 0.00 O ATOM 206 CB PHE A 14 3.553 5.674 -31.659 1.00 0.00 C ATOM 207 CG PHE A 14 5.005 5.819 -32.021 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.889 6.441 -31.154 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.483 5.343 -33.232 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.221 6.587 -31.489 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.813 5.486 -33.574 1.00 0.00 C ATOM 212 CZ PHE A 14 7.685 6.107 -32.700 1.00 0.00 C ATOM 0 H PHE A 14 4.910 4.871 -29.676 1.00 0.00 H new ATOM 0 HA PHE A 14 2.169 4.487 -30.545 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.965 5.646 -32.576 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.240 6.560 -31.106 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.533 6.816 -30.206 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.806 4.854 -33.917 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.900 7.076 -30.806 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.171 5.113 -34.522 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.727 6.217 -32.962 1.00 0.00 H new ATOM 222 N GLU A 15 2.343 2.589 -32.108 1.00 0.00 N ATOM 223 CA GLU A 15 2.415 1.414 -32.950 1.00 0.00 C ATOM 224 C GLU A 15 1.961 1.762 -34.356 1.00 0.00 C ATOM 225 O GLU A 15 0.763 1.823 -34.632 1.00 0.00 O ATOM 226 CB GLU A 15 1.567 0.276 -32.366 1.00 0.00 C ATOM 227 CG GLU A 15 1.611 -1.022 -33.172 1.00 0.00 C ATOM 228 CD GLU A 15 2.999 -1.641 -33.260 1.00 0.00 C ATOM 229 OE1 GLU A 15 3.992 -0.885 -33.260 1.00 0.00 O ATOM 230 OE2 GLU A 15 3.096 -2.887 -33.329 1.00 0.00 O ATOM 0 H GLU A 15 1.396 2.918 -31.920 1.00 0.00 H new ATOM 0 HA GLU A 15 3.449 1.070 -32.991 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.906 0.071 -31.351 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.532 0.610 -32.295 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.929 -1.743 -32.721 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.246 -0.826 -34.180 1.00 0.00 H new ATOM 237 N PRO A 16 2.919 2.017 -35.262 1.00 0.00 N ATOM 238 CA PRO A 16 2.624 2.407 -36.644 1.00 0.00 C ATOM 239 C PRO A 16 1.859 1.317 -37.386 1.00 0.00 C ATOM 240 O PRO A 16 1.162 1.588 -38.360 1.00 0.00 O ATOM 241 CB PRO A 16 4.008 2.628 -37.270 1.00 0.00 C ATOM 242 CG PRO A 16 4.955 1.881 -36.393 1.00 0.00 C ATOM 243 CD PRO A 16 4.371 1.938 -35.011 1.00 0.00 C ATOM 0 HA PRO A 16 1.989 3.291 -36.695 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.042 2.256 -38.294 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.259 3.688 -37.308 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.066 0.850 -36.728 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.947 2.332 -36.416 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.631 1.055 -34.427 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.732 2.805 -34.457 1.00 0.00 H new ATOM 251 N GLU A 17 1.975 0.086 -36.895 1.00 0.00 N ATOM 252 CA GLU A 17 1.269 -1.047 -37.475 1.00 0.00 C ATOM 253 C GLU A 17 -0.233 -0.948 -37.204 1.00 0.00 C ATOM 254 O GLU A 17 -1.045 -1.484 -37.956 1.00 0.00 O ATOM 255 CB GLU A 17 1.806 -2.365 -36.904 1.00 0.00 C ATOM 256 CG GLU A 17 3.319 -2.510 -36.974 1.00 0.00 C ATOM 257 CD GLU A 17 3.871 -2.340 -38.375 1.00 0.00 C ATOM 258 OE1 GLU A 17 3.437 -3.074 -39.288 1.00 0.00 O ATOM 259 OE2 GLU A 17 4.754 -1.480 -38.566 1.00 0.00 O ATOM 0 H GLU A 17 2.556 -0.151 -36.091 1.00 0.00 H new ATOM 0 HA GLU A 17 1.436 -1.028 -38.552 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.493 -2.450 -35.863 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.348 -3.194 -37.444 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.779 -1.772 -36.317 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.601 -3.493 -36.596 1.00 0.00 H new ATOM 266 N ASN A 18 -0.598 -0.255 -36.130 1.00 0.00 N ATOM 267 CA ASN A 18 -2.001 -0.120 -35.747 1.00 0.00 C ATOM 268 C ASN A 18 -2.464 1.326 -35.868 1.00 0.00 C ATOM 269 O ASN A 18 -3.623 1.638 -35.595 1.00 0.00 O ATOM 270 CB ASN A 18 -2.225 -0.623 -34.318 1.00 0.00 C ATOM 271 CG ASN A 18 -2.072 -2.127 -34.198 1.00 0.00 C ATOM 272 OD1 ASN A 18 -2.331 -2.866 -35.144 1.00 0.00 O ATOM 273 ND2 ASN A 18 -1.644 -2.590 -33.033 1.00 0.00 N ATOM 0 H ASN A 18 0.056 0.222 -35.510 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.591 -0.731 -36.431 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.516 -0.135 -33.650 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.223 -0.336 -33.988 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.519 -3.593 -32.898 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.440 -1.943 -32.271 1.00 0.00 H new ATOM 280 N GLN A 19 -1.544 2.198 -36.283 1.00 0.00 N ATOM 281 CA GLN A 19 -1.833 3.622 -36.474 1.00 0.00 C ATOM 282 C GLN A 19 -2.354 4.266 -35.189 1.00 0.00 C ATOM 283 O GLN A 19 -3.291 5.063 -35.236 1.00 0.00 O ATOM 284 CB GLN A 19 -2.870 3.850 -37.591 1.00 0.00 C ATOM 285 CG GLN A 19 -2.419 3.473 -38.998 1.00 0.00 C ATOM 286 CD GLN A 19 -2.517 1.987 -39.284 1.00 0.00 C ATOM 287 OE1 GLN A 19 -3.582 1.485 -39.634 1.00 0.00 O ATOM 288 NE2 GLN A 19 -1.406 1.283 -39.190 1.00 0.00 N ATOM 0 H GLN A 19 -0.581 1.939 -36.496 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.889 4.087 -36.758 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.767 3.279 -37.351 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.153 4.903 -37.590 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.025 4.016 -39.723 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.387 3.795 -39.140 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.540 1.734 -38.896 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.413 0.287 -39.411 1.00 0.00 H new ATOM 297 N MET A 20 -1.751 3.948 -34.045 1.00 0.00 N ATOM 298 CA MET A 20 -2.227 4.508 -32.782 1.00 0.00 C ATOM 299 C MET A 20 -1.161 4.431 -31.697 1.00 0.00 C ATOM 300 O MET A 20 -0.106 3.819 -31.886 1.00 0.00 O ATOM 301 CB MET A 20 -3.499 3.793 -32.313 1.00 0.00 C ATOM 302 CG MET A 20 -3.294 2.324 -31.999 1.00 0.00 C ATOM 303 SD MET A 20 -4.810 1.519 -31.450 1.00 0.00 S ATOM 304 CE MET A 20 -4.193 -0.114 -31.063 1.00 0.00 C ATOM 0 H MET A 20 -0.951 3.321 -33.966 1.00 0.00 H new ATOM 0 HA MET A 20 -2.455 5.559 -32.962 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.880 4.295 -31.424 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.263 3.887 -33.085 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.917 1.815 -32.886 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.532 2.224 -31.226 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.951 -0.857 -31.311 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.291 -0.309 -31.643 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.961 -0.173 -30.000 1.00 0.00 H new ATOM 314 N PHE A 21 -1.451 5.051 -30.560 1.00 0.00 N ATOM 315 CA PHE A 21 -0.545 5.054 -29.423 1.00 0.00 C ATOM 316 C PHE A 21 -1.036 4.079 -28.364 1.00 0.00 C ATOM 317 O PHE A 21 -2.232 4.024 -28.071 1.00 0.00 O ATOM 318 CB PHE A 21 -0.439 6.459 -28.819 1.00 0.00 C ATOM 319 CG PHE A 21 0.124 7.485 -29.760 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.706 8.178 -30.629 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.482 7.760 -29.772 1.00 0.00 C ATOM 322 CE1 PHE A 21 -0.189 9.122 -31.496 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.003 8.703 -30.636 1.00 0.00 C ATOM 324 CZ PHE A 21 1.167 9.384 -31.498 1.00 0.00 C ATOM 0 H PHE A 21 -2.318 5.564 -30.402 1.00 0.00 H new ATOM 0 HA PHE A 21 0.442 4.746 -29.770 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.429 6.781 -28.496 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.188 6.415 -27.928 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.767 7.978 -30.628 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.140 7.231 -29.098 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.844 9.654 -32.170 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.063 8.907 -30.637 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.573 10.122 -32.174 1.00 0.00 H new ATOM 334 N THR A 22 -0.114 3.319 -27.797 1.00 0.00 N ATOM 335 CA THR A 22 -0.444 2.339 -26.774 1.00 0.00 C ATOM 336 C THR A 22 0.571 2.393 -25.638 1.00 0.00 C ATOM 337 O THR A 22 1.624 3.018 -25.767 1.00 0.00 O ATOM 338 CB THR A 22 -0.491 0.910 -27.358 1.00 0.00 C ATOM 339 OG1 THR A 22 0.712 0.642 -28.091 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.697 0.736 -28.271 1.00 0.00 C ATOM 0 H THR A 22 0.878 3.363 -28.030 1.00 0.00 H new ATOM 0 HA THR A 22 -1.433 2.587 -26.388 1.00 0.00 H new ATOM 0 HB THR A 22 -0.578 0.205 -26.531 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.676 -0.266 -28.457 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.708 -0.278 -28.670 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.611 0.913 -27.704 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.636 1.449 -29.094 1.00 0.00 H new ATOM 348 N TYR A 23 0.246 1.758 -24.527 1.00 0.00 N ATOM 349 CA TYR A 23 1.148 1.694 -23.396 1.00 0.00 C ATOM 350 C TYR A 23 1.107 0.293 -22.797 1.00 0.00 C ATOM 351 O TYR A 23 0.044 -0.199 -22.426 1.00 0.00 O ATOM 352 CB TYR A 23 0.771 2.746 -22.351 1.00 0.00 C ATOM 353 CG TYR A 23 1.962 3.467 -21.763 1.00 0.00 C ATOM 354 CD1 TYR A 23 2.817 4.204 -22.575 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.227 3.422 -20.401 1.00 0.00 C ATOM 356 CE1 TYR A 23 3.902 4.875 -22.048 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.313 4.091 -19.864 1.00 0.00 C ATOM 358 CZ TYR A 23 4.147 4.817 -20.693 1.00 0.00 C ATOM 359 OH TYR A 23 5.227 5.488 -20.164 1.00 0.00 O ATOM 0 H TYR A 23 -0.642 1.277 -24.385 1.00 0.00 H new ATOM 0 HA TYR A 23 2.164 1.906 -23.730 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.103 3.477 -22.807 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.215 2.264 -21.547 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.629 4.252 -23.637 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.576 2.856 -19.751 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.555 5.442 -22.694 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.508 4.046 -18.803 1.00 0.00 H new ATOM 0 HH TYR A 23 5.198 6.427 -20.444 1.00 0.00 H new ATOM 369 N PRO A 24 2.266 -0.374 -22.748 1.00 0.00 N ATOM 370 CA PRO A 24 2.377 -1.753 -22.256 1.00 0.00 C ATOM 371 C PRO A 24 1.812 -1.943 -20.850 1.00 0.00 C ATOM 372 O PRO A 24 2.236 -1.288 -19.897 1.00 0.00 O ATOM 373 CB PRO A 24 3.883 -2.019 -22.256 1.00 0.00 C ATOM 374 CG PRO A 24 4.454 -1.043 -23.228 1.00 0.00 C ATOM 375 CD PRO A 24 3.562 0.168 -23.182 1.00 0.00 C ATOM 0 HA PRO A 24 1.802 -2.437 -22.881 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.307 -1.878 -21.262 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.101 -3.045 -22.554 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.478 -0.782 -22.961 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.484 -1.466 -24.232 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.938 0.916 -22.484 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.489 0.650 -24.157 1.00 0.00 H new ATOM 383 N CYS A 25 0.850 -2.848 -20.748 1.00 0.00 N ATOM 384 CA CYS A 25 0.248 -3.210 -19.478 1.00 0.00 C ATOM 385 C CYS A 25 -0.126 -4.683 -19.502 1.00 0.00 C ATOM 386 O CYS A 25 -0.748 -5.154 -20.456 1.00 0.00 O ATOM 387 CB CYS A 25 -0.988 -2.346 -19.213 1.00 0.00 C ATOM 388 SG CYS A 25 -2.003 -2.870 -17.787 1.00 0.00 S ATOM 0 H CYS A 25 0.465 -3.352 -21.547 1.00 0.00 H new ATOM 0 HA CYS A 25 0.963 -3.036 -18.674 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.666 -1.317 -19.052 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.613 -2.349 -20.106 1.00 0.00 H new ATOM 393 N PRO A 26 0.313 -5.453 -18.501 1.00 0.00 N ATOM 394 CA PRO A 26 -0.085 -6.841 -18.357 1.00 0.00 C ATOM 395 C PRO A 26 -1.404 -6.974 -17.599 1.00 0.00 C ATOM 396 O PRO A 26 -1.504 -6.615 -16.422 1.00 0.00 O ATOM 397 CB PRO A 26 1.069 -7.467 -17.554 1.00 0.00 C ATOM 398 CG PRO A 26 2.011 -6.342 -17.228 1.00 0.00 C ATOM 399 CD PRO A 26 1.254 -5.064 -17.456 1.00 0.00 C ATOM 0 HA PRO A 26 -0.253 -7.325 -19.319 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.699 -7.941 -16.645 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.572 -8.241 -18.134 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.352 -6.410 -16.195 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.898 -6.384 -17.860 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.745 -4.725 -16.554 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.908 -4.254 -17.777 1.00 0.00 H new ATOM 407 N CYS A 27 -2.391 -7.548 -18.268 1.00 0.00 N ATOM 408 CA CYS A 27 -3.727 -7.717 -17.713 1.00 0.00 C ATOM 409 C CYS A 27 -4.565 -8.504 -18.705 1.00 0.00 C ATOM 410 O CYS A 27 -5.302 -9.428 -18.349 1.00 0.00 O ATOM 411 CB CYS A 27 -4.378 -6.349 -17.444 1.00 0.00 C ATOM 412 SG CYS A 27 -4.660 -5.348 -18.944 1.00 0.00 S ATOM 0 H CYS A 27 -2.289 -7.912 -19.215 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.663 -8.253 -16.766 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.332 -6.506 -16.940 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.744 -5.786 -16.759 1.00 0.00 H new ATOM 417 N GLY A 28 -4.419 -8.115 -19.959 1.00 0.00 N ATOM 418 CA GLY A 28 -5.104 -8.753 -21.054 1.00 0.00 C ATOM 419 C GLY A 28 -4.974 -7.923 -22.310 1.00 0.00 C ATOM 420 O GLY A 28 -4.946 -8.455 -23.422 1.00 0.00 O ATOM 0 H GLY A 28 -3.816 -7.342 -20.241 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.689 -9.747 -21.222 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.157 -8.886 -20.805 1.00 0.00 H new ATOM 424 N ASP A 29 -4.878 -6.612 -22.128 1.00 0.00 N ATOM 425 CA ASP A 29 -4.724 -5.684 -23.237 1.00 0.00 C ATOM 426 C ASP A 29 -3.792 -4.548 -22.826 1.00 0.00 C ATOM 427 O ASP A 29 -3.322 -4.516 -21.699 1.00 0.00 O ATOM 428 CB ASP A 29 -6.078 -5.140 -23.683 1.00 0.00 C ATOM 429 CG ASP A 29 -6.118 -4.843 -25.175 1.00 0.00 C ATOM 430 OD1 ASP A 29 -5.442 -3.895 -25.629 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.820 -5.581 -25.905 1.00 0.00 O ATOM 0 H ASP A 29 -4.905 -6.165 -21.211 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.286 -6.214 -24.083 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.856 -5.863 -23.438 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.302 -4.229 -23.127 1.00 0.00 H new ATOM 436 N ARG A 30 -3.486 -3.659 -23.757 1.00 0.00 N ATOM 437 CA ARG A 30 -2.585 -2.545 -23.493 1.00 0.00 C ATOM 438 C ARG A 30 -3.355 -1.227 -23.503 1.00 0.00 C ATOM 439 O ARG A 30 -4.394 -1.121 -24.163 1.00 0.00 O ATOM 440 CB ARG A 30 -1.492 -2.518 -24.559 1.00 0.00 C ATOM 441 CG ARG A 30 -2.047 -2.465 -25.971 1.00 0.00 C ATOM 442 CD ARG A 30 -1.367 -3.472 -26.878 1.00 0.00 C ATOM 443 NE ARG A 30 -1.445 -4.835 -26.351 1.00 0.00 N ATOM 444 CZ ARG A 30 -2.159 -5.817 -26.908 1.00 0.00 C ATOM 445 NH1 ARG A 30 -2.981 -5.561 -27.920 1.00 0.00 N ATOM 446 NH2 ARG A 30 -2.088 -7.046 -26.420 1.00 0.00 N ATOM 0 H ARG A 30 -3.850 -3.687 -24.709 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.133 -2.674 -22.510 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.851 -1.652 -24.393 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.866 -3.404 -24.453 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.119 -2.661 -25.948 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.915 -1.462 -26.377 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.829 -3.439 -27.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.321 -3.194 -27.007 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.920 -5.049 -25.503 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.070 -4.610 -28.277 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.523 -6.316 -28.340 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.488 -7.243 -25.619 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.633 -7.796 -26.845 1.00 0.00 H new ATOM 460 N PHE A 31 -2.850 -0.233 -22.770 1.00 0.00 N ATOM 461 CA PHE A 31 -3.418 1.111 -22.808 1.00 0.00 C ATOM 462 C PHE A 31 -3.500 1.581 -24.250 1.00 0.00 C ATOM 463 O PHE A 31 -2.501 1.571 -24.964 1.00 0.00 O ATOM 464 CB PHE A 31 -2.566 2.102 -22.007 1.00 0.00 C ATOM 465 CG PHE A 31 -2.644 1.945 -20.515 1.00 0.00 C ATOM 466 CD1 PHE A 31 -1.779 1.095 -19.845 1.00 0.00 C ATOM 467 CD2 PHE A 31 -3.570 2.668 -19.782 1.00 0.00 C ATOM 468 CE1 PHE A 31 -1.840 0.968 -18.471 1.00 0.00 C ATOM 469 CE2 PHE A 31 -3.637 2.541 -18.409 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.770 1.692 -17.753 1.00 0.00 C ATOM 0 H PHE A 31 -2.051 -0.335 -22.145 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.411 1.072 -22.361 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.526 1.995 -22.315 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.873 3.115 -22.267 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.050 0.526 -20.403 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.247 3.339 -20.290 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.161 0.303 -17.959 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.368 3.106 -17.849 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.819 1.594 -16.679 1.00 0.00 H new ATOM 480 N GLN A 32 -4.679 1.974 -24.684 1.00 0.00 N ATOM 481 CA GLN A 32 -4.878 2.361 -26.066 1.00 0.00 C ATOM 482 C GLN A 32 -5.674 3.652 -26.171 1.00 0.00 C ATOM 483 O GLN A 32 -6.542 3.934 -25.342 1.00 0.00 O ATOM 484 CB GLN A 32 -5.575 1.224 -26.817 1.00 0.00 C ATOM 485 CG GLN A 32 -6.886 0.788 -26.191 1.00 0.00 C ATOM 486 CD GLN A 32 -7.471 -0.428 -26.874 1.00 0.00 C ATOM 487 OE1 GLN A 32 -8.280 -0.320 -27.797 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.038 -1.599 -26.447 1.00 0.00 N ATOM 0 H GLN A 32 -5.514 2.034 -24.101 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.905 2.547 -26.521 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.761 1.540 -27.844 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.903 0.367 -26.864 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.727 0.568 -25.135 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.601 1.609 -26.241 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.368 -1.646 -25.680 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.374 -2.457 -26.884 1.00 0.00 H new ATOM 497 N ILE A 33 -5.349 4.444 -27.178 1.00 0.00 N ATOM 498 CA ILE A 33 -6.058 5.681 -27.444 1.00 0.00 C ATOM 499 C ILE A 33 -6.189 5.895 -28.949 1.00 0.00 C ATOM 500 O ILE A 33 -5.234 5.687 -29.704 1.00 0.00 O ATOM 501 CB ILE A 33 -5.354 6.894 -26.790 1.00 0.00 C ATOM 502 CG1 ILE A 33 -6.127 8.181 -27.086 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.908 7.006 -27.260 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.558 9.401 -26.399 1.00 0.00 C ATOM 0 H ILE A 33 -4.590 4.248 -27.831 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.052 5.599 -27.003 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.340 6.741 -25.711 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.134 8.351 -28.163 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.164 8.051 -26.777 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.437 7.867 -26.785 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.366 6.100 -26.989 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.886 7.132 -28.343 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.157 10.275 -26.655 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.576 9.252 -25.319 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.530 9.557 -26.727 1.00 0.00 H new ATOM 516 N TYR A 34 -7.375 6.286 -29.385 1.00 0.00 N ATOM 517 CA TYR A 34 -7.624 6.514 -30.799 1.00 0.00 C ATOM 518 C TYR A 34 -7.360 7.965 -31.166 1.00 0.00 C ATOM 519 O TYR A 34 -7.723 8.880 -30.427 1.00 0.00 O ATOM 520 CB TYR A 34 -9.053 6.128 -31.174 1.00 0.00 C ATOM 521 CG TYR A 34 -9.324 4.643 -31.086 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.923 3.786 -32.104 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.984 4.101 -29.990 1.00 0.00 C ATOM 524 CE1 TYR A 34 -9.173 2.430 -32.033 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.237 2.746 -29.912 1.00 0.00 C ATOM 526 CZ TYR A 34 -9.829 1.915 -30.934 1.00 0.00 C ATOM 527 OH TYR A 34 -10.086 0.566 -30.861 1.00 0.00 O ATOM 0 H TYR A 34 -8.180 6.452 -28.781 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.938 5.881 -31.363 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.746 6.654 -30.518 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.257 6.466 -32.190 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.408 4.187 -32.964 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.304 4.749 -29.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.857 1.777 -32.833 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.752 2.339 -29.055 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.554 0.367 -30.023 1.00 0.00 H new ATOM 537 N LEU A 35 -6.735 8.161 -32.317 1.00 0.00 N ATOM 538 CA LEU A 35 -6.366 9.492 -32.785 1.00 0.00 C ATOM 539 C LEU A 35 -7.576 10.324 -33.152 1.00 0.00 C ATOM 540 O LEU A 35 -7.521 11.549 -33.141 1.00 0.00 O ATOM 541 CB LEU A 35 -5.434 9.377 -33.973 1.00 0.00 C ATOM 542 CG LEU A 35 -3.977 9.216 -33.591 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.304 8.211 -34.494 1.00 0.00 C ATOM 544 CD2 LEU A 35 -3.291 10.562 -33.659 1.00 0.00 C ATOM 0 H LEU A 35 -6.470 7.408 -32.951 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.859 10.001 -31.966 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.737 8.524 -34.580 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.541 10.266 -34.595 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.906 8.839 -32.571 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.258 8.107 -34.206 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.804 7.247 -34.401 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.364 8.553 -35.527 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.242 10.450 -33.385 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.361 10.955 -34.673 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.775 11.252 -32.968 1.00 0.00 H new ATOM 556 N ASP A 36 -8.654 9.648 -33.498 1.00 0.00 N ATOM 557 CA ASP A 36 -9.933 10.299 -33.731 1.00 0.00 C ATOM 558 C ASP A 36 -10.306 11.136 -32.518 1.00 0.00 C ATOM 559 O ASP A 36 -10.710 12.293 -32.640 1.00 0.00 O ATOM 560 CB ASP A 36 -11.014 9.248 -33.988 1.00 0.00 C ATOM 561 CG ASP A 36 -10.659 8.305 -35.117 1.00 0.00 C ATOM 562 OD1 ASP A 36 -9.855 7.375 -34.884 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.193 8.474 -36.237 1.00 0.00 O ATOM 0 H ASP A 36 -8.671 8.636 -33.626 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.853 10.945 -34.605 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.178 8.672 -33.077 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.953 9.749 -34.221 1.00 0.00 H new ATOM 568 N ASP A 37 -10.139 10.544 -31.343 1.00 0.00 N ATOM 569 CA ASP A 37 -10.372 11.244 -30.088 1.00 0.00 C ATOM 570 C ASP A 37 -9.317 12.321 -29.874 1.00 0.00 C ATOM 571 O ASP A 37 -9.636 13.453 -29.511 1.00 0.00 O ATOM 572 CB ASP A 37 -10.345 10.264 -28.907 1.00 0.00 C ATOM 573 CG ASP A 37 -11.531 9.316 -28.877 1.00 0.00 C ATOM 574 OD1 ASP A 37 -11.528 8.316 -29.626 1.00 0.00 O ATOM 575 OD2 ASP A 37 -12.460 9.550 -28.075 1.00 0.00 O ATOM 0 H ASP A 37 -9.841 9.575 -31.233 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.356 11.710 -30.142 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.425 9.681 -28.951 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.319 10.830 -27.976 1.00 0.00 H new ATOM 580 N MET A 38 -8.060 11.970 -30.132 1.00 0.00 N ATOM 581 CA MET A 38 -6.946 12.886 -29.905 1.00 0.00 C ATOM 582 C MET A 38 -7.102 14.153 -30.746 1.00 0.00 C ATOM 583 O MET A 38 -6.942 15.265 -30.247 1.00 0.00 O ATOM 584 CB MET A 38 -5.602 12.225 -30.237 1.00 0.00 C ATOM 585 CG MET A 38 -5.395 10.855 -29.612 1.00 0.00 C ATOM 586 SD MET A 38 -3.654 10.395 -29.524 1.00 0.00 S ATOM 587 CE MET A 38 -3.029 11.633 -28.391 1.00 0.00 C ATOM 0 H MET A 38 -7.787 11.058 -30.498 1.00 0.00 H new ATOM 0 HA MET A 38 -6.959 13.149 -28.847 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.516 12.132 -31.320 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.798 12.884 -29.909 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.821 10.848 -28.609 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.936 10.108 -30.193 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.189 11.222 -27.830 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.698 12.506 -28.953 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.819 11.925 -27.699 1.00 0.00 H new ATOM 597 N PHE A 39 -7.435 13.972 -32.019 1.00 0.00 N ATOM 598 CA PHE A 39 -7.571 15.084 -32.958 1.00 0.00 C ATOM 599 C PHE A 39 -8.793 15.933 -32.613 1.00 0.00 C ATOM 600 O PHE A 39 -8.871 17.106 -32.975 1.00 0.00 O ATOM 601 CB PHE A 39 -7.671 14.545 -34.391 1.00 0.00 C ATOM 602 CG PHE A 39 -7.508 15.591 -35.456 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.263 16.140 -35.720 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.594 16.023 -36.196 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.108 17.100 -36.699 1.00 0.00 C ATOM 606 CE2 PHE A 39 -8.445 16.983 -37.177 1.00 0.00 C ATOM 607 CZ PHE A 39 -7.200 17.521 -37.429 1.00 0.00 C ATOM 0 H PHE A 39 -7.618 13.056 -32.429 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.689 15.720 -32.883 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.910 13.777 -34.532 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.639 14.061 -34.518 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.404 15.813 -35.153 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.571 15.604 -36.004 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.133 17.521 -36.893 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.302 17.312 -37.746 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.080 18.271 -38.197 1.00 0.00 H new ATOM 617 N GLU A 40 -9.742 15.332 -31.905 1.00 0.00 N ATOM 618 CA GLU A 40 -10.922 16.044 -31.438 1.00 0.00 C ATOM 619 C GLU A 40 -10.565 16.924 -30.239 1.00 0.00 C ATOM 620 O GLU A 40 -11.251 17.904 -29.940 1.00 0.00 O ATOM 621 CB GLU A 40 -12.017 15.046 -31.055 1.00 0.00 C ATOM 622 CG GLU A 40 -13.308 15.701 -30.606 1.00 0.00 C ATOM 623 CD GLU A 40 -14.425 14.702 -30.391 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.400 13.977 -29.375 1.00 0.00 O ATOM 625 OE2 GLU A 40 -15.340 14.644 -31.240 1.00 0.00 O ATOM 0 H GLU A 40 -9.715 14.347 -31.641 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.292 16.681 -32.241 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.225 14.402 -31.910 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.648 14.404 -30.255 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.131 16.247 -29.679 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.619 16.432 -31.352 1.00 0.00 H new ATOM 632 N GLY A 41 -9.461 16.590 -29.587 1.00 0.00 N ATOM 633 CA GLY A 41 -9.051 17.306 -28.398 1.00 0.00 C ATOM 634 C GLY A 41 -9.223 16.478 -27.142 1.00 0.00 C ATOM 635 O GLY A 41 -8.860 16.914 -26.050 1.00 0.00 O ATOM 0 H GLY A 41 -8.839 15.831 -29.863 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.006 17.601 -28.496 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.634 18.223 -28.309 1.00 0.00 H new ATOM 639 N GLU A 42 -9.771 15.281 -27.293 1.00 0.00 N ATOM 640 CA GLU A 42 -9.908 14.355 -26.177 1.00 0.00 C ATOM 641 C GLU A 42 -8.598 13.593 -25.997 1.00 0.00 C ATOM 642 O GLU A 42 -8.176 12.859 -26.891 1.00 0.00 O ATOM 643 CB GLU A 42 -11.058 13.375 -26.440 1.00 0.00 C ATOM 644 CG GLU A 42 -11.359 12.447 -25.273 1.00 0.00 C ATOM 645 CD GLU A 42 -12.022 13.157 -24.113 1.00 0.00 C ATOM 646 OE1 GLU A 42 -11.314 13.813 -23.322 1.00 0.00 O ATOM 647 OE2 GLU A 42 -13.261 13.054 -23.978 1.00 0.00 O ATOM 0 H GLU A 42 -10.129 14.927 -28.180 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.133 14.912 -25.268 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.957 13.942 -26.681 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.816 12.773 -27.316 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.005 11.639 -25.615 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.431 11.990 -24.930 1.00 0.00 H new ATOM 654 N LYS A 43 -7.949 13.759 -24.853 1.00 0.00 N ATOM 655 CA LYS A 43 -6.637 13.161 -24.668 1.00 0.00 C ATOM 656 C LYS A 43 -6.573 12.313 -23.399 1.00 0.00 C ATOM 657 O LYS A 43 -6.359 12.807 -22.294 1.00 0.00 O ATOM 658 CB LYS A 43 -5.535 14.240 -24.670 1.00 0.00 C ATOM 659 CG LYS A 43 -5.588 15.252 -23.524 1.00 0.00 C ATOM 660 CD LYS A 43 -6.701 16.275 -23.683 1.00 0.00 C ATOM 661 CE LYS A 43 -6.733 17.227 -22.504 1.00 0.00 C ATOM 662 NZ LYS A 43 -7.972 18.045 -22.478 1.00 0.00 N ATOM 0 H LYS A 43 -8.300 14.290 -24.056 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.461 12.493 -25.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.566 13.742 -24.644 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.589 14.785 -25.613 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.724 14.719 -22.583 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.632 15.771 -23.461 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.555 16.837 -24.605 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.660 15.764 -23.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.656 16.658 -21.577 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.866 17.886 -22.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.951 18.681 -21.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.034 18.608 -23.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.800 17.419 -22.410 1.00 0.00 H new ATOM 676 N VAL A 44 -6.726 11.015 -23.588 1.00 0.00 N ATOM 677 CA VAL A 44 -6.667 10.056 -22.495 1.00 0.00 C ATOM 678 C VAL A 44 -6.594 8.640 -23.051 1.00 0.00 C ATOM 679 O VAL A 44 -7.355 8.280 -23.946 1.00 0.00 O ATOM 680 CB VAL A 44 -7.876 10.198 -21.533 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.183 10.215 -22.304 1.00 0.00 C ATOM 682 CG2 VAL A 44 -7.890 9.087 -20.494 1.00 0.00 C ATOM 0 H VAL A 44 -6.895 10.594 -24.502 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.767 10.265 -21.917 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.769 11.149 -21.011 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.015 10.315 -21.607 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.186 11.057 -22.996 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.288 9.285 -22.863 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.749 9.215 -19.836 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.958 8.121 -20.995 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.973 9.127 -19.906 1.00 0.00 H new ATOM 692 N ALA A 45 -5.671 7.849 -22.537 1.00 0.00 N ATOM 693 CA ALA A 45 -5.529 6.474 -22.981 1.00 0.00 C ATOM 694 C ALA A 45 -6.170 5.537 -21.974 1.00 0.00 C ATOM 695 O ALA A 45 -6.035 5.726 -20.762 1.00 0.00 O ATOM 696 CB ALA A 45 -4.065 6.121 -23.195 1.00 0.00 C ATOM 0 H ALA A 45 -5.010 8.133 -21.814 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.039 6.361 -23.937 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.985 5.086 -23.527 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.639 6.779 -23.952 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.520 6.245 -22.259 1.00 0.00 H new ATOM 702 N VAL A 46 -6.877 4.540 -22.476 1.00 0.00 N ATOM 703 CA VAL A 46 -7.566 3.587 -21.623 1.00 0.00 C ATOM 704 C VAL A 46 -7.061 2.183 -21.879 1.00 0.00 C ATOM 705 O VAL A 46 -6.832 1.798 -23.025 1.00 0.00 O ATOM 706 CB VAL A 46 -9.097 3.630 -21.838 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.457 3.419 -23.302 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.810 2.611 -20.954 1.00 0.00 C ATOM 0 H VAL A 46 -6.989 4.369 -23.475 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.356 3.868 -20.591 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.438 4.624 -21.548 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.540 3.455 -23.419 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.001 4.203 -23.906 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.088 2.447 -23.631 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.884 2.666 -21.129 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.454 1.609 -21.194 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.601 2.829 -19.907 1.00 0.00 H new ATOM 718 N CYS A 47 -6.863 1.431 -20.820 1.00 0.00 N ATOM 719 CA CYS A 47 -6.495 0.052 -20.961 1.00 0.00 C ATOM 720 C CYS A 47 -7.698 -0.826 -20.667 1.00 0.00 C ATOM 721 O CYS A 47 -8.319 -0.703 -19.613 1.00 0.00 O ATOM 722 CB CYS A 47 -5.341 -0.303 -20.024 1.00 0.00 C ATOM 723 SG CYS A 47 -4.504 -1.865 -20.441 1.00 0.00 S ATOM 0 H CYS A 47 -6.952 1.755 -19.857 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.162 -0.119 -21.985 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.610 0.505 -20.042 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.721 -0.367 -19.004 1.00 0.00 H new ATOM 728 N PRO A 48 -8.069 -1.687 -21.613 1.00 0.00 N ATOM 729 CA PRO A 48 -9.136 -2.648 -21.414 1.00 0.00 C ATOM 730 C PRO A 48 -8.652 -3.865 -20.632 1.00 0.00 C ATOM 731 O PRO A 48 -7.454 -4.134 -20.581 1.00 0.00 O ATOM 732 CB PRO A 48 -9.557 -3.026 -22.833 1.00 0.00 C ATOM 733 CG PRO A 48 -8.391 -2.710 -23.709 1.00 0.00 C ATOM 734 CD PRO A 48 -7.472 -1.782 -22.950 1.00 0.00 C ATOM 0 HA PRO A 48 -9.960 -2.243 -20.827 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.815 -4.083 -22.894 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.439 -2.464 -23.140 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.865 -3.623 -23.987 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.726 -2.241 -24.634 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.457 -2.178 -22.905 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.412 -0.804 -23.428 1.00 0.00 H new ATOM 742 N SER A 49 -9.599 -4.554 -19.999 1.00 0.00 N ATOM 743 CA SER A 49 -9.345 -5.749 -19.180 1.00 0.00 C ATOM 744 C SER A 49 -9.055 -5.357 -17.735 1.00 0.00 C ATOM 745 O SER A 49 -9.731 -5.827 -16.817 1.00 0.00 O ATOM 746 CB SER A 49 -8.220 -6.630 -19.749 1.00 0.00 C ATOM 747 OG SER A 49 -8.105 -7.850 -19.034 1.00 0.00 O ATOM 0 H SER A 49 -10.585 -4.297 -20.038 1.00 0.00 H new ATOM 0 HA SER A 49 -10.253 -6.351 -19.205 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.417 -6.840 -20.800 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.275 -6.090 -19.704 1.00 0.00 H new ATOM 0 HG SER A 49 -8.094 -8.599 -19.665 1.00 0.00 H new ATOM 753 N CYS A 50 -8.062 -4.502 -17.519 1.00 0.00 N ATOM 754 CA CYS A 50 -7.813 -3.992 -16.174 1.00 0.00 C ATOM 755 C CYS A 50 -8.638 -2.730 -15.953 1.00 0.00 C ATOM 756 O CYS A 50 -9.088 -2.447 -14.838 1.00 0.00 O ATOM 757 CB CYS A 50 -6.325 -3.711 -15.945 1.00 0.00 C ATOM 758 SG CYS A 50 -5.664 -2.315 -16.903 1.00 0.00 S ATOM 0 H CYS A 50 -7.429 -4.153 -18.239 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.111 -4.753 -15.453 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.164 -3.516 -14.885 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.757 -4.607 -16.194 1.00 0.00 H new ATOM 763 N SER A 51 -8.838 -1.992 -17.042 1.00 0.00 N ATOM 764 CA SER A 51 -9.666 -0.794 -17.056 1.00 0.00 C ATOM 765 C SER A 51 -9.031 0.340 -16.251 1.00 0.00 C ATOM 766 O SER A 51 -9.466 0.655 -15.141 1.00 0.00 O ATOM 767 CB SER A 51 -11.079 -1.103 -16.550 1.00 0.00 C ATOM 768 OG SER A 51 -11.653 -2.171 -17.286 1.00 0.00 O ATOM 0 H SER A 51 -8.424 -2.213 -17.948 1.00 0.00 H new ATOM 0 HA SER A 51 -9.740 -0.457 -18.090 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.043 -1.362 -15.492 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.705 -0.215 -16.640 1.00 0.00 H new ATOM 0 HG SER A 51 -12.554 -2.355 -16.947 1.00 0.00 H new ATOM 774 N LEU A 52 -7.991 0.939 -16.819 1.00 0.00 N ATOM 775 CA LEU A 52 -7.345 2.090 -16.221 1.00 0.00 C ATOM 776 C LEU A 52 -7.161 3.165 -17.282 1.00 0.00 C ATOM 777 O LEU A 52 -7.030 2.859 -18.466 1.00 0.00 O ATOM 778 CB LEU A 52 -5.997 1.697 -15.614 1.00 0.00 C ATOM 779 CG LEU A 52 -5.282 2.803 -14.832 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.133 3.271 -13.659 1.00 0.00 C ATOM 781 CD2 LEU A 52 -3.925 2.314 -14.346 1.00 0.00 C ATOM 0 H LEU A 52 -7.577 0.639 -17.702 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.971 2.478 -15.418 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.151 0.847 -14.950 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.341 1.360 -16.416 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.128 3.651 -15.499 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.606 4.057 -13.118 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.082 3.660 -14.030 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.322 2.432 -12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.428 3.110 -13.792 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.061 1.450 -13.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.312 2.031 -15.202 1.00 0.00 H new ATOM 793 N MET A 53 -7.173 4.417 -16.859 1.00 0.00 N ATOM 794 CA MET A 53 -7.099 5.542 -17.783 1.00 0.00 C ATOM 795 C MET A 53 -6.118 6.588 -17.291 1.00 0.00 C ATOM 796 O MET A 53 -6.035 6.857 -16.090 1.00 0.00 O ATOM 797 CB MET A 53 -8.479 6.183 -17.943 1.00 0.00 C ATOM 798 CG MET A 53 -9.532 5.225 -18.463 1.00 0.00 C ATOM 799 SD MET A 53 -11.213 5.834 -18.229 1.00 0.00 S ATOM 800 CE MET A 53 -11.255 6.013 -16.446 1.00 0.00 C ATOM 0 H MET A 53 -7.234 4.684 -15.876 1.00 0.00 H new ATOM 0 HA MET A 53 -6.755 5.162 -18.745 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.802 6.578 -16.980 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.401 7.030 -18.625 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.360 5.046 -19.524 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.425 4.266 -17.957 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.276 5.873 -16.090 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.606 5.266 -15.990 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.909 7.010 -16.172 1.00 0.00 H new ATOM 810 N ILE A 54 -5.370 7.169 -18.221 1.00 0.00 N ATOM 811 CA ILE A 54 -4.449 8.256 -17.905 1.00 0.00 C ATOM 812 C ILE A 54 -4.474 9.292 -19.025 1.00 0.00 C ATOM 813 O ILE A 54 -4.699 8.954 -20.189 1.00 0.00 O ATOM 814 CB ILE A 54 -2.983 7.776 -17.678 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.243 7.509 -19.000 1.00 0.00 C ATOM 816 CG2 ILE A 54 -2.945 6.534 -16.799 1.00 0.00 C ATOM 817 CD1 ILE A 54 -2.827 6.393 -19.834 1.00 0.00 C ATOM 0 H ILE A 54 -5.383 6.904 -19.206 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.790 8.692 -16.966 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.465 8.589 -17.168 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.242 8.424 -19.592 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.203 7.272 -18.777 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.911 6.220 -16.657 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.392 6.760 -15.831 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.505 5.731 -17.279 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.242 6.276 -20.746 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.803 5.463 -19.266 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.858 6.633 -20.093 1.00 0.00 H new ATOM 829 N ASP A 55 -4.257 10.547 -18.674 1.00 0.00 N ATOM 830 CA ASP A 55 -4.262 11.629 -19.654 1.00 0.00 C ATOM 831 C ASP A 55 -2.996 11.598 -20.499 1.00 0.00 C ATOM 832 O ASP A 55 -1.967 11.068 -20.076 1.00 0.00 O ATOM 833 CB ASP A 55 -4.348 12.984 -18.958 1.00 0.00 C ATOM 834 CG ASP A 55 -5.744 13.341 -18.493 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.170 12.848 -17.430 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.412 14.148 -19.174 1.00 0.00 O ATOM 0 H ASP A 55 -4.074 10.847 -17.716 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.133 11.487 -20.294 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.677 12.985 -18.099 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.993 13.756 -19.640 1.00 0.00 H new ATOM 841 N VAL A 56 -3.067 12.176 -21.688 1.00 0.00 N ATOM 842 CA VAL A 56 -1.901 12.269 -22.555 1.00 0.00 C ATOM 843 C VAL A 56 -1.740 13.686 -23.112 1.00 0.00 C ATOM 844 O VAL A 56 -2.676 14.265 -23.654 1.00 0.00 O ATOM 845 CB VAL A 56 -1.962 11.235 -23.707 1.00 0.00 C ATOM 846 CG1 VAL A 56 -3.224 11.398 -24.538 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.725 11.323 -24.588 1.00 0.00 C ATOM 0 H VAL A 56 -3.917 12.587 -22.075 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.027 12.038 -21.946 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.988 10.245 -23.252 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.232 10.656 -25.336 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.099 11.257 -23.903 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.248 12.398 -24.972 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.795 10.586 -25.388 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.656 12.322 -25.020 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.163 11.125 -23.989 1.00 0.00 H new ATOM 857 N VAL A 57 -0.553 14.249 -22.954 1.00 0.00 N ATOM 858 CA VAL A 57 -0.265 15.587 -23.453 1.00 0.00 C ATOM 859 C VAL A 57 0.114 15.527 -24.929 1.00 0.00 C ATOM 860 O VAL A 57 1.210 15.094 -25.277 1.00 0.00 O ATOM 861 CB VAL A 57 0.876 16.258 -22.657 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.110 17.683 -23.138 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.571 16.234 -21.165 1.00 0.00 C ATOM 0 H VAL A 57 0.231 13.799 -22.482 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.167 16.185 -23.327 1.00 0.00 H new ATOM 0 HB VAL A 57 1.791 15.692 -22.830 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.918 18.133 -22.562 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.380 17.671 -24.194 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.199 18.267 -23.003 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.385 16.711 -20.619 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.357 16.772 -20.975 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.467 15.202 -20.832 1.00 0.00 H new ATOM 873 N PHE A 58 -0.798 15.951 -25.790 1.00 0.00 N ATOM 874 CA PHE A 58 -0.580 15.879 -27.228 1.00 0.00 C ATOM 875 C PHE A 58 -0.467 17.277 -27.823 1.00 0.00 C ATOM 876 O PHE A 58 -0.838 18.262 -27.183 1.00 0.00 O ATOM 877 CB PHE A 58 -1.732 15.127 -27.910 1.00 0.00 C ATOM 878 CG PHE A 58 -3.002 15.930 -28.023 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.820 16.123 -26.924 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.374 16.492 -29.234 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.982 16.862 -27.028 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.534 17.232 -29.345 1.00 0.00 C ATOM 883 CZ PHE A 58 -5.340 17.416 -28.241 1.00 0.00 C ATOM 0 H PHE A 58 -1.697 16.349 -25.519 1.00 0.00 H new ATOM 0 HA PHE A 58 0.352 15.340 -27.400 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.415 14.824 -28.908 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.939 14.215 -27.351 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.546 15.690 -25.973 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.748 16.349 -30.102 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.610 17.006 -26.161 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.810 17.666 -30.295 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.249 17.992 -28.325 1.00 0.00 H new ATOM 893 N ASP A 59 0.039 17.351 -29.045 1.00 0.00 N ATOM 894 CA ASP A 59 0.078 18.602 -29.787 1.00 0.00 C ATOM 895 C ASP A 59 -0.405 18.347 -31.205 1.00 0.00 C ATOM 896 O ASP A 59 -0.367 17.212 -31.680 1.00 0.00 O ATOM 897 CB ASP A 59 1.493 19.175 -29.832 1.00 0.00 C ATOM 898 CG ASP A 59 1.511 20.681 -30.031 1.00 0.00 C ATOM 899 OD1 ASP A 59 0.912 21.173 -31.008 1.00 0.00 O ATOM 900 OD2 ASP A 59 2.125 21.379 -29.199 1.00 0.00 O ATOM 0 H ASP A 59 0.431 16.554 -29.546 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.566 19.324 -29.286 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.009 18.929 -28.904 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.047 18.699 -30.641 1.00 0.00 H new ATOM 905 N LYS A 60 -0.846 19.396 -31.878 1.00 0.00 N ATOM 906 CA LYS A 60 -1.320 19.278 -33.246 1.00 0.00 C ATOM 907 C LYS A 60 -0.180 18.849 -34.162 1.00 0.00 C ATOM 908 O LYS A 60 -0.365 18.043 -35.076 1.00 0.00 O ATOM 909 CB LYS A 60 -1.906 20.605 -33.737 1.00 0.00 C ATOM 910 CG LYS A 60 -3.128 21.079 -32.960 1.00 0.00 C ATOM 911 CD LYS A 60 -2.741 21.844 -31.707 1.00 0.00 C ATOM 912 CE LYS A 60 -3.953 22.187 -30.858 1.00 0.00 C ATOM 913 NZ LYS A 60 -3.581 23.019 -29.684 1.00 0.00 N ATOM 0 H LYS A 60 -0.886 20.342 -31.498 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.105 18.522 -33.269 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.134 21.372 -33.680 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.176 20.502 -34.788 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.740 21.715 -33.599 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.740 20.219 -32.686 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.042 21.249 -31.119 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.222 22.761 -31.987 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.684 22.720 -31.465 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.431 21.269 -30.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.433 23.234 -29.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.902 22.500 -29.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.148 23.906 -30.011 1.00 0.00 H new ATOM 927 N GLU A 61 1.005 19.386 -33.893 1.00 0.00 N ATOM 928 CA GLU A 61 2.180 19.094 -34.706 1.00 0.00 C ATOM 929 C GLU A 61 2.696 17.684 -34.438 1.00 0.00 C ATOM 930 O GLU A 61 3.139 16.995 -35.359 1.00 0.00 O ATOM 931 CB GLU A 61 3.276 20.140 -34.473 1.00 0.00 C ATOM 932 CG GLU A 61 3.584 20.422 -33.010 1.00 0.00 C ATOM 933 CD GLU A 61 4.552 21.579 -32.841 1.00 0.00 C ATOM 934 OE1 GLU A 61 4.141 22.737 -33.057 1.00 0.00 O ATOM 935 OE2 GLU A 61 5.731 21.338 -32.506 1.00 0.00 O ATOM 0 H GLU A 61 1.177 20.026 -33.118 1.00 0.00 H new ATOM 0 HA GLU A 61 1.887 19.144 -35.755 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.189 19.805 -34.965 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.978 21.072 -34.954 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.657 20.646 -32.482 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.005 19.528 -32.550 1.00 0.00 H new ATOM 942 N ASP A 62 2.621 17.254 -33.182 1.00 0.00 N ATOM 943 CA ASP A 62 3.002 15.894 -32.812 1.00 0.00 C ATOM 944 C ASP A 62 2.102 14.879 -33.503 1.00 0.00 C ATOM 945 O ASP A 62 2.561 13.823 -33.938 1.00 0.00 O ATOM 946 CB ASP A 62 2.938 15.704 -31.292 1.00 0.00 C ATOM 947 CG ASP A 62 4.093 16.369 -30.570 1.00 0.00 C ATOM 948 OD1 ASP A 62 4.143 17.617 -30.535 1.00 0.00 O ATOM 949 OD2 ASP A 62 4.964 15.645 -30.041 1.00 0.00 O ATOM 0 H ASP A 62 2.300 17.828 -32.402 1.00 0.00 H new ATOM 0 HA ASP A 62 4.029 15.732 -33.139 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.999 16.111 -30.918 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.937 14.638 -31.063 1.00 0.00 H new ATOM 954 N LEU A 63 0.817 15.210 -33.607 1.00 0.00 N ATOM 955 CA LEU A 63 -0.140 14.355 -34.295 1.00 0.00 C ATOM 956 C LEU A 63 0.213 14.238 -35.774 1.00 0.00 C ATOM 957 O LEU A 63 0.357 13.134 -36.298 1.00 0.00 O ATOM 958 CB LEU A 63 -1.563 14.906 -34.147 1.00 0.00 C ATOM 959 CG LEU A 63 -2.105 14.981 -32.717 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.525 15.524 -32.715 1.00 0.00 C ATOM 961 CD2 LEU A 63 -2.054 13.615 -32.054 1.00 0.00 C ATOM 0 H LEU A 63 0.417 16.066 -33.222 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.095 13.366 -33.839 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.591 15.906 -34.579 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.236 14.285 -34.738 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.475 15.662 -32.145 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.895 15.571 -31.691 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.533 16.524 -33.150 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.166 14.868 -33.303 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.443 13.689 -31.039 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.660 12.911 -32.625 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.023 13.264 -32.023 1.00 0.00 H new ATOM 973 N ALA A 64 0.363 15.388 -36.433 1.00 0.00 N ATOM 974 CA ALA A 64 0.649 15.439 -37.868 1.00 0.00 C ATOM 975 C ALA A 64 1.866 14.591 -38.231 1.00 0.00 C ATOM 976 O ALA A 64 1.853 13.857 -39.222 1.00 0.00 O ATOM 977 CB ALA A 64 0.860 16.882 -38.306 1.00 0.00 C ATOM 0 H ALA A 64 0.290 16.304 -35.991 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.210 15.024 -38.396 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.072 16.911 -39.375 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.040 17.460 -38.099 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.700 17.310 -37.758 1.00 0.00 H new ATOM 983 N GLU A 65 2.902 14.688 -37.409 1.00 0.00 N ATOM 984 CA GLU A 65 4.129 13.935 -37.616 1.00 0.00 C ATOM 985 C GLU A 65 3.845 12.435 -37.621 1.00 0.00 C ATOM 986 O GLU A 65 4.260 11.713 -38.530 1.00 0.00 O ATOM 987 CB GLU A 65 5.126 14.282 -36.510 1.00 0.00 C ATOM 988 CG GLU A 65 6.509 13.688 -36.715 1.00 0.00 C ATOM 989 CD GLU A 65 7.213 14.245 -37.936 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.664 15.407 -37.888 1.00 0.00 O ATOM 991 OE2 GLU A 65 7.336 13.518 -38.942 1.00 0.00 O ATOM 0 H GLU A 65 2.915 15.288 -36.584 1.00 0.00 H new ATOM 0 HA GLU A 65 4.553 14.202 -38.584 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.214 15.366 -36.442 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.730 13.934 -35.556 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.117 13.881 -35.831 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.424 12.606 -36.813 1.00 0.00 H new ATOM 998 N TYR A 66 3.111 11.976 -36.613 1.00 0.00 N ATOM 999 CA TYR A 66 2.813 10.560 -36.481 1.00 0.00 C ATOM 1000 C TYR A 66 1.928 10.071 -37.625 1.00 0.00 C ATOM 1001 O TYR A 66 2.083 8.939 -38.088 1.00 0.00 O ATOM 1002 CB TYR A 66 2.143 10.256 -35.141 1.00 0.00 C ATOM 1003 CG TYR A 66 1.816 8.791 -34.979 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.829 7.850 -34.864 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.500 8.347 -34.964 1.00 0.00 C ATOM 1006 CE1 TYR A 66 2.542 6.507 -34.738 1.00 0.00 C ATOM 1007 CE2 TYR A 66 0.205 7.003 -34.840 1.00 0.00 C ATOM 1008 CZ TYR A 66 1.231 6.088 -34.725 1.00 0.00 C ATOM 1009 OH TYR A 66 0.945 4.750 -34.602 1.00 0.00 O ATOM 0 H TYR A 66 2.714 12.564 -35.880 1.00 0.00 H new ATOM 0 HA TYR A 66 3.763 10.028 -36.524 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.800 10.570 -34.330 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.228 10.841 -35.055 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.859 8.175 -34.873 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.304 9.063 -35.051 1.00 0.00 H new ATOM 0 HE1 TYR A 66 3.342 5.787 -34.650 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.823 6.671 -34.833 1.00 0.00 H new ATOM 0 HH TYR A 66 0.680 4.556 -33.679 1.00 0.00 H new ATOM 1019 N TYR A 67 1.005 10.918 -38.077 1.00 0.00 N ATOM 1020 CA TYR A 67 0.135 10.572 -39.193 1.00 0.00 C ATOM 1021 C TYR A 67 0.953 10.133 -40.400 1.00 0.00 C ATOM 1022 O TYR A 67 0.645 9.123 -41.032 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.767 11.750 -39.571 1.00 0.00 C ATOM 1024 CG TYR A 67 -2.015 11.870 -38.720 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -3.043 10.945 -38.833 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -2.169 12.912 -37.818 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -4.190 11.055 -38.071 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -3.311 13.030 -37.049 1.00 0.00 C ATOM 1029 CZ TYR A 67 -4.318 12.098 -37.180 1.00 0.00 C ATOM 1030 OH TYR A 67 -5.458 12.208 -36.416 1.00 0.00 O ATOM 0 H TYR A 67 0.843 11.846 -37.687 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.496 9.741 -38.877 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.194 12.674 -39.489 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.061 11.649 -40.616 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.945 10.125 -39.529 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.382 13.645 -37.715 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.982 10.328 -38.173 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.414 13.847 -36.350 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.300 12.837 -35.682 1.00 0.00 H new ATOM 1040 N GLU A 68 2.010 10.873 -40.698 1.00 0.00 N ATOM 1041 CA GLU A 68 2.856 10.546 -41.833 1.00 0.00 C ATOM 1042 C GLU A 68 3.693 9.299 -41.542 1.00 0.00 C ATOM 1043 O GLU A 68 3.868 8.442 -42.411 1.00 0.00 O ATOM 1044 CB GLU A 68 3.772 11.718 -42.185 1.00 0.00 C ATOM 1045 CG GLU A 68 4.507 11.508 -43.498 1.00 0.00 C ATOM 1046 CD GLU A 68 5.528 12.581 -43.788 1.00 0.00 C ATOM 1047 OE1 GLU A 68 5.132 13.698 -44.187 1.00 0.00 O ATOM 1048 OE2 GLU A 68 6.736 12.301 -43.657 1.00 0.00 O ATOM 0 H GLU A 68 2.300 11.698 -40.173 1.00 0.00 H new ATOM 0 HA GLU A 68 2.207 10.343 -42.685 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.181 12.632 -42.245 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.498 11.861 -41.385 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.005 10.539 -43.477 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.782 11.476 -44.311 1.00 0.00 H new ATOM 1055 N GLU A 69 4.191 9.200 -40.309 1.00 0.00 N ATOM 1056 CA GLU A 69 5.041 8.081 -39.900 1.00 0.00 C ATOM 1057 C GLU A 69 4.304 6.748 -39.948 1.00 0.00 C ATOM 1058 O GLU A 69 4.892 5.721 -40.295 1.00 0.00 O ATOM 1059 CB GLU A 69 5.590 8.315 -38.492 1.00 0.00 C ATOM 1060 CG GLU A 69 6.804 9.227 -38.465 1.00 0.00 C ATOM 1061 CD GLU A 69 7.977 8.626 -39.210 1.00 0.00 C ATOM 1062 OE1 GLU A 69 8.695 7.794 -38.617 1.00 0.00 O ATOM 1063 OE2 GLU A 69 8.181 8.964 -40.395 1.00 0.00 O ATOM 0 H GLU A 69 4.019 9.885 -39.573 1.00 0.00 H new ATOM 0 HA GLU A 69 5.865 8.031 -40.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.806 8.747 -37.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.855 7.355 -38.049 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.546 10.188 -38.909 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.091 9.420 -37.431 1.00 0.00 H new ATOM 1070 N ALA A 70 3.030 6.758 -39.591 1.00 0.00 N ATOM 1071 CA ALA A 70 2.243 5.533 -39.569 1.00 0.00 C ATOM 1072 C ALA A 70 1.636 5.237 -40.935 1.00 0.00 C ATOM 1073 O ALA A 70 1.227 4.108 -41.209 1.00 0.00 O ATOM 1074 CB ALA A 70 1.156 5.625 -38.509 1.00 0.00 C ATOM 0 H ALA A 70 2.519 7.596 -39.313 1.00 0.00 H new ATOM 0 HA ALA A 70 2.910 4.708 -39.319 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.575 4.703 -38.503 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.613 5.772 -37.531 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.500 6.466 -38.733 1.00 0.00 H new ATOM 1080 N GLY A 71 1.589 6.250 -41.791 1.00 0.00 N ATOM 1081 CA GLY A 71 1.007 6.081 -43.107 1.00 0.00 C ATOM 1082 C GLY A 71 -0.493 6.287 -43.089 1.00 0.00 C ATOM 1083 O GLY A 71 -1.235 5.591 -43.784 1.00 0.00 O ATOM 0 H GLY A 71 1.944 7.186 -41.596 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.463 6.789 -43.800 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.232 5.081 -43.478 1.00 0.00 H new ATOM 1087 N ILE A 72 -0.934 7.240 -42.280 1.00 0.00 N ATOM 1088 CA ILE A 72 -2.350 7.549 -42.150 1.00 0.00 C ATOM 1089 C ILE A 72 -2.706 8.688 -43.105 1.00 0.00 C ATOM 1090 O ILE A 72 -1.863 9.127 -43.889 1.00 0.00 O ATOM 1091 CB ILE A 72 -2.703 7.956 -40.696 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -1.801 7.219 -39.701 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -4.161 7.642 -40.396 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -2.068 7.569 -38.251 1.00 0.00 C ATOM 0 H ILE A 72 -0.325 7.817 -41.699 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.925 6.657 -42.401 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.543 9.029 -40.593 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.931 6.145 -39.835 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.760 7.445 -39.933 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.393 7.934 -39.372 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.801 8.194 -41.084 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.335 6.573 -40.517 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.389 7.006 -37.610 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.909 8.637 -38.099 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.098 7.316 -37.999 1.00 0.00 H new ATOM 1106 N HIS A 73 -3.944 9.155 -43.061 1.00 0.00 N ATOM 1107 CA HIS A 73 -4.355 10.273 -43.901 1.00 0.00 C ATOM 1108 C HIS A 73 -3.876 11.589 -43.291 1.00 0.00 C ATOM 1109 O HIS A 73 -3.994 11.796 -42.082 1.00 0.00 O ATOM 1110 CB HIS A 73 -5.877 10.303 -44.081 1.00 0.00 C ATOM 1111 CG HIS A 73 -6.423 9.134 -44.846 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -6.804 9.206 -46.170 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -6.664 7.861 -44.459 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -7.252 8.027 -46.559 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -7.182 7.194 -45.541 1.00 0.00 N ATOM 0 H HIS A 73 -4.678 8.782 -42.458 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.900 10.143 -44.883 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.348 10.334 -43.099 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.154 11.223 -44.596 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.482 7.445 -43.479 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.615 7.786 -47.547 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.466 6.214 -45.555 1.00 0.00 H new ATOM 1124 N PRO A 74 -3.312 12.480 -44.122 1.00 0.00 N ATOM 1125 CA PRO A 74 -2.785 13.770 -43.667 1.00 0.00 C ATOM 1126 C PRO A 74 -3.855 14.645 -43.016 1.00 0.00 C ATOM 1127 O PRO A 74 -4.952 14.812 -43.553 1.00 0.00 O ATOM 1128 CB PRO A 74 -2.258 14.428 -44.950 1.00 0.00 C ATOM 1129 CG PRO A 74 -2.927 13.701 -46.066 1.00 0.00 C ATOM 1130 CD PRO A 74 -3.142 12.299 -45.574 1.00 0.00 C ATOM 0 HA PRO A 74 -2.022 13.641 -42.900 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.497 15.491 -44.974 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.174 14.343 -45.019 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.874 14.173 -46.327 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.309 13.709 -46.964 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.020 11.842 -46.029 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.293 11.656 -45.804 1.00 0.00 H new ATOM 1138 N PRO A 75 -3.545 15.204 -41.838 1.00 0.00 N ATOM 1139 CA PRO A 75 -4.456 16.086 -41.110 1.00 0.00 C ATOM 1140 C PRO A 75 -4.559 17.465 -41.756 1.00 0.00 C ATOM 1141 O PRO A 75 -3.719 17.842 -42.578 1.00 0.00 O ATOM 1142 CB PRO A 75 -3.823 16.186 -39.724 1.00 0.00 C ATOM 1143 CG PRO A 75 -2.370 15.964 -39.956 1.00 0.00 C ATOM 1144 CD PRO A 75 -2.274 15.012 -41.121 1.00 0.00 C ATOM 0 HA PRO A 75 -5.476 15.702 -41.096 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.008 17.161 -39.274 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.235 15.439 -39.046 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.863 16.903 -40.177 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.893 15.545 -39.070 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.418 15.242 -41.756 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.155 13.981 -40.787 1.00 0.00 H new ATOM 1152 N GLU A 76 -5.584 18.215 -41.377 1.00 0.00 N ATOM 1153 CA GLU A 76 -5.795 19.550 -41.916 1.00 0.00 C ATOM 1154 C GLU A 76 -4.774 20.523 -41.326 1.00 0.00 C ATOM 1155 O GLU A 76 -4.167 20.238 -40.291 1.00 0.00 O ATOM 1156 CB GLU A 76 -7.223 20.019 -41.613 1.00 0.00 C ATOM 1157 CG GLU A 76 -7.574 19.986 -40.133 1.00 0.00 C ATOM 1158 CD GLU A 76 -8.971 20.501 -39.853 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -9.932 19.712 -39.963 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -9.113 21.695 -39.513 1.00 0.00 O ATOM 0 H GLU A 76 -6.284 17.920 -40.696 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.661 19.522 -42.997 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.349 21.036 -41.985 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.926 19.390 -42.159 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.488 18.963 -39.766 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.852 20.586 -39.579 1.00 0.00 H new ATOM 1167 N PRO A 77 -4.539 21.664 -42.000 1.00 0.00 N ATOM 1168 CA PRO A 77 -3.566 22.661 -41.549 1.00 0.00 C ATOM 1169 C PRO A 77 -3.859 23.185 -40.146 1.00 0.00 C ATOM 1170 O PRO A 77 -5.017 23.352 -39.749 1.00 0.00 O ATOM 1171 CB PRO A 77 -3.683 23.793 -42.576 1.00 0.00 C ATOM 1172 CG PRO A 77 -4.972 23.553 -43.287 1.00 0.00 C ATOM 1173 CD PRO A 77 -5.189 22.069 -43.258 1.00 0.00 C ATOM 0 HA PRO A 77 -2.566 22.231 -41.486 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.679 24.768 -42.088 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.843 23.781 -43.271 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.792 24.077 -42.796 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.927 23.921 -44.312 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.249 21.816 -43.264 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.739 21.578 -44.121 1.00 0.00 H new ATOM 1181 N ILE A 78 -2.798 23.426 -39.402 1.00 0.00 N ATOM 1182 CA ILE A 78 -2.904 23.929 -38.046 1.00 0.00 C ATOM 1183 C ILE A 78 -2.286 25.318 -37.953 1.00 0.00 C ATOM 1184 O ILE A 78 -1.692 25.800 -38.918 1.00 0.00 O ATOM 1185 CB ILE A 78 -2.197 22.993 -37.042 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -0.711 22.847 -37.404 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -2.881 21.634 -37.016 1.00 0.00 C ATOM 1188 CD1 ILE A 78 0.085 22.004 -36.427 1.00 0.00 C ATOM 0 H ILE A 78 -1.840 23.279 -39.719 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.963 23.976 -37.793 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.266 23.431 -36.046 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.632 22.405 -38.397 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.263 23.839 -37.460 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.372 20.984 -36.304 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.922 21.756 -36.716 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.840 21.187 -38.009 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.123 21.951 -36.754 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.040 22.456 -35.436 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.335 20.999 -36.387 1.00 0.00 H new ATOM 1200 N ALA A 79 -2.419 25.956 -36.797 1.00 0.00 N ATOM 1201 CA ALA A 79 -1.828 27.273 -36.590 1.00 0.00 C ATOM 1202 C ALA A 79 -0.458 27.139 -35.948 1.00 0.00 C ATOM 1203 O ALA A 79 0.315 28.100 -35.883 1.00 0.00 O ATOM 1204 CB ALA A 79 -2.740 28.149 -35.744 1.00 0.00 C ATOM 0 H ALA A 79 -2.927 25.587 -35.993 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.709 27.755 -37.560 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.278 29.126 -35.603 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.699 28.270 -36.249 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.898 27.679 -34.773 1.00 0.00 H new ATOM 1210 N ALA A 80 -0.172 25.925 -35.497 1.00 0.00 N ATOM 1211 CA ALA A 80 1.089 25.595 -34.837 1.00 0.00 C ATOM 1212 C ALA A 80 1.344 26.508 -33.634 1.00 0.00 C ATOM 1213 O ALA A 80 0.421 27.132 -33.106 1.00 0.00 O ATOM 1214 CB ALA A 80 2.235 25.676 -35.836 1.00 0.00 C ATOM 0 H ALA A 80 -0.811 25.134 -35.578 1.00 0.00 H new ATOM 0 HA ALA A 80 1.024 24.574 -34.461 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.172 25.429 -35.336 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.060 24.971 -36.648 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.295 26.687 -36.240 1.00 0.00 H new ATOM 1220 N ALA A 81 2.587 26.551 -33.182 1.00 0.00 N ATOM 1221 CA ALA A 81 2.977 27.438 -32.097 1.00 0.00 C ATOM 1222 C ALA A 81 3.929 28.505 -32.609 1.00 0.00 C ATOM 1223 O ALA A 81 3.819 29.680 -32.254 1.00 0.00 O ATOM 1224 CB ALA A 81 3.614 26.648 -30.967 1.00 0.00 C ATOM 0 H ALA A 81 3.347 25.979 -33.552 1.00 0.00 H new ATOM 0 HA ALA A 81 2.084 27.928 -31.708 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.900 27.327 -30.164 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.901 25.917 -30.587 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.500 26.132 -31.338 1.00 0.00 H new ATOM 1230 N ALA A 82 4.858 28.090 -33.454 1.00 0.00 N ATOM 1231 CA ALA A 82 5.802 29.010 -34.062 1.00 0.00 C ATOM 1232 C ALA A 82 5.464 29.224 -35.530 1.00 0.00 C ATOM 1233 O ALA A 82 5.876 28.392 -36.362 1.00 0.00 O ATOM 1234 CB ALA A 82 7.223 28.490 -33.914 1.00 0.00 C ATOM 1235 OXT ALA A 82 4.764 30.211 -35.842 1.00 0.00 O ATOM 0 H ALA A 82 4.978 27.117 -33.735 1.00 0.00 H new ATOM 0 HA ALA A 82 5.731 29.968 -33.547 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.917 29.192 -34.375 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.463 28.384 -32.856 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.308 27.520 -34.404 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -4.197 -3.110 -18.512 1.00 0.00 ZN