USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 592 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 Set 1.1: A 18 TYR OH : rot 156:sc= 0.11 USER MOD Set 1.2: A 83 GLN : amide:sc= 0.106 X(o=0.22,f=0.57) USER MOD Single : A 1 SER N :NH3+ -143:sc= 0.00291 (180deg=-0.251) USER MOD Single : A 1 SER OG : rot 53:sc= 0.624 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.0852 K(o=-0.085,f=-0.82) USER MOD Single : A 11 TYR OH : rot -170:sc= 0.758 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -11:sc= 0.838 USER MOD Single : A 20 THR OG1 : rot 157:sc= 0.87 USER MOD Single : A 22 GLN :FLIP amide:sc= -2.97! C(o=-6.5!,f=-3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.898 F(o=-7.1!,f=-0.9) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.991 F(o=-7.3!,f=-0.99) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -5.99! C(o=-7!,f=-6!) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.918 (180deg=-1.4) USER MOD Single : A 68 THR OG1 : rot -38:sc= 0.31 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.574 F(o=-1.7,f=-0.57) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.76 X(o=-2.8,f=-3.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.4!) USER MOD Single : A 81 ASN : amide:sc= -11.6! C(o=-12!,f=-19!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0683 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -34.680 -13.730 -0.428 1.00 0.00 N ATOM 2 CA SER A 1 -35.553 -12.534 -0.542 1.00 0.00 C ATOM 3 C SER A 1 -34.717 -11.258 -0.636 1.00 0.00 C ATOM 4 O SER A 1 -34.569 -10.532 0.347 1.00 0.00 O ATOM 5 CB SER A 1 -36.493 -12.454 0.663 1.00 0.00 C ATOM 6 OG SER A 1 -35.764 -12.405 1.877 1.00 0.00 O ATOM 0 H1 SER A 1 -35.100 -14.518 -0.961 1.00 0.00 H new ATOM 0 H2 SER A 1 -33.740 -13.512 -0.816 1.00 0.00 H new ATOM 0 H3 SER A 1 -34.588 -13.998 0.573 1.00 0.00 H new ATOM 0 HA SER A 1 -36.144 -12.627 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 1 -37.124 -11.569 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 1 -37.157 -13.319 0.668 1.00 0.00 H new ATOM 0 HG SER A 1 -35.101 -11.684 1.832 1.00 0.00 H new ATOM 14 N PRO A 2 -34.155 -10.970 -1.827 1.00 0.00 N ATOM 15 CA PRO A 2 -33.332 -9.775 -2.042 1.00 0.00 C ATOM 16 C PRO A 2 -34.160 -8.498 -2.119 1.00 0.00 C ATOM 17 O PRO A 2 -34.301 -7.902 -3.188 1.00 0.00 O ATOM 18 CB PRO A 2 -32.654 -10.051 -3.385 1.00 0.00 C ATOM 19 CG PRO A 2 -33.601 -10.947 -4.107 1.00 0.00 C ATOM 20 CD PRO A 2 -34.271 -11.788 -3.052 1.00 0.00 C ATOM 0 HA PRO A 2 -32.636 -9.610 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -32.481 -9.128 -3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -31.683 -10.528 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -34.335 -10.367 -4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -33.073 -11.573 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -35.313 -11.989 -3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -33.779 -12.754 -2.937 1.00 0.00 H new ATOM 28 N ALA A 3 -34.708 -8.080 -0.983 1.00 0.00 N ATOM 29 CA ALA A 3 -35.499 -6.860 -0.931 1.00 0.00 C ATOM 30 C ALA A 3 -34.604 -5.664 -1.216 1.00 0.00 C ATOM 31 O ALA A 3 -35.076 -4.546 -1.431 1.00 0.00 O ATOM 32 CB ALA A 3 -36.173 -6.714 0.426 1.00 0.00 C ATOM 0 H ALA A 3 -34.619 -8.567 -0.091 1.00 0.00 H new ATOM 0 HA ALA A 3 -36.281 -6.910 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -36.759 -5.795 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -36.829 -7.567 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -35.414 -6.675 1.207 1.00 0.00 H new ATOM 38 N ALA A 4 -33.301 -5.923 -1.214 1.00 0.00 N ATOM 39 CA ALA A 4 -32.304 -4.899 -1.480 1.00 0.00 C ATOM 40 C ALA A 4 -31.937 -4.885 -2.956 1.00 0.00 C ATOM 41 O ALA A 4 -30.831 -4.492 -3.331 1.00 0.00 O ATOM 42 CB ALA A 4 -31.069 -5.146 -0.627 1.00 0.00 C ATOM 0 H ALA A 4 -32.910 -6.846 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 4 -32.721 -3.925 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -30.326 -4.375 -0.831 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -31.343 -5.116 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -30.652 -6.124 -0.865 1.00 0.00 H new ATOM 48 N MET A 5 -32.876 -5.325 -3.787 1.00 0.00 N ATOM 49 CA MET A 5 -32.671 -5.375 -5.228 1.00 0.00 C ATOM 50 C MET A 5 -32.148 -4.042 -5.753 1.00 0.00 C ATOM 51 O MET A 5 -31.159 -3.995 -6.484 1.00 0.00 O ATOM 52 CB MET A 5 -33.983 -5.724 -5.927 1.00 0.00 C ATOM 53 CG MET A 5 -33.803 -6.218 -7.354 1.00 0.00 C ATOM 54 SD MET A 5 -35.363 -6.673 -8.135 1.00 0.00 S ATOM 55 CE MET A 5 -34.801 -7.136 -9.771 1.00 0.00 C ATOM 0 H MET A 5 -33.792 -5.654 -3.483 1.00 0.00 H new ATOM 0 HA MET A 5 -31.928 -6.144 -5.440 1.00 0.00 H new ATOM 0 HB2 MET A 5 -34.500 -6.490 -5.349 1.00 0.00 H new ATOM 0 HB3 MET A 5 -34.626 -4.844 -5.935 1.00 0.00 H new ATOM 0 HG2 MET A 5 -33.319 -5.440 -7.945 1.00 0.00 H new ATOM 0 HG3 MET A 5 -33.136 -7.080 -7.354 1.00 0.00 H new ATOM 0 HE1 MET A 5 -35.654 -7.443 -10.376 1.00 0.00 H new ATOM 0 HE2 MET A 5 -34.310 -6.284 -10.242 1.00 0.00 H new ATOM 0 HE3 MET A 5 -34.096 -7.963 -9.693 1.00 0.00 H new ATOM 65 N GLU A 6 -32.821 -2.962 -5.370 1.00 0.00 N ATOM 66 CA GLU A 6 -32.430 -1.626 -5.798 1.00 0.00 C ATOM 67 C GLU A 6 -31.722 -0.877 -4.673 1.00 0.00 C ATOM 68 O GLU A 6 -31.550 0.341 -4.737 1.00 0.00 O ATOM 69 CB GLU A 6 -33.651 -0.832 -6.271 1.00 0.00 C ATOM 70 CG GLU A 6 -34.674 -0.560 -5.177 1.00 0.00 C ATOM 71 CD GLU A 6 -35.442 -1.803 -4.767 1.00 0.00 C ATOM 72 OE1 GLU A 6 -36.360 -2.206 -5.513 1.00 0.00 O ATOM 73 OE2 GLU A 6 -35.128 -2.370 -3.699 1.00 0.00 O ATOM 0 H GLU A 6 -33.641 -2.987 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 6 -31.736 -1.732 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -33.315 0.119 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -34.136 -1.378 -7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -34.166 -0.149 -4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -35.377 0.198 -5.523 1.00 0.00 H new ATOM 80 N ARG A 7 -31.313 -1.612 -3.643 1.00 0.00 N ATOM 81 CA ARG A 7 -30.623 -1.013 -2.500 1.00 0.00 C ATOM 82 C ARG A 7 -29.151 -1.413 -2.483 1.00 0.00 C ATOM 83 O ARG A 7 -28.800 -2.541 -2.826 1.00 0.00 O ATOM 84 CB ARG A 7 -31.291 -1.432 -1.186 1.00 0.00 C ATOM 85 CG ARG A 7 -32.790 -1.184 -1.158 1.00 0.00 C ATOM 86 CD ARG A 7 -33.423 -1.737 0.110 1.00 0.00 C ATOM 87 NE ARG A 7 -32.793 -1.208 1.317 1.00 0.00 N ATOM 88 CZ ARG A 7 -32.885 -1.785 2.512 1.00 0.00 C ATOM 89 NH1 ARG A 7 -33.575 -2.909 2.657 1.00 0.00 N ATOM 90 NH2 ARG A 7 -32.286 -1.240 3.562 1.00 0.00 N ATOM 0 H ARG A 7 -31.446 -2.621 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 7 -30.689 0.070 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.104 -2.492 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -30.826 -0.889 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -32.984 -0.114 -1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -33.253 -1.648 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -34.485 -1.493 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -33.346 -2.824 0.108 1.00 0.00 H new ATOM 0 HE ARG A 7 -32.252 -0.347 1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -34.036 -3.332 1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -33.644 -3.350 3.574 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -31.753 -0.377 3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -32.358 -1.684 4.477 1.00 0.00 H new ATOM 104 N GLN A 8 -28.295 -0.478 -2.079 1.00 0.00 N ATOM 105 CA GLN A 8 -26.858 -0.728 -2.015 1.00 0.00 C ATOM 106 C GLN A 8 -26.256 -0.119 -0.752 1.00 0.00 C ATOM 107 O GLN A 8 -26.606 0.994 -0.361 1.00 0.00 O ATOM 108 CB GLN A 8 -26.161 -0.153 -3.250 1.00 0.00 C ATOM 109 CG GLN A 8 -26.562 -0.829 -4.551 1.00 0.00 C ATOM 110 CD GLN A 8 -26.113 -2.276 -4.619 1.00 0.00 C ATOM 111 OE1 GLN A 8 -25.100 -2.653 -4.029 1.00 0.00 O ATOM 112 NE2 GLN A 8 -26.866 -3.095 -5.344 1.00 0.00 N ATOM 0 H GLN A 8 -28.572 0.460 -1.791 1.00 0.00 H new ATOM 0 HA GLN A 8 -26.705 -1.807 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -26.386 0.911 -3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -25.082 -0.243 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -27.645 -0.783 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -26.133 -0.280 -5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -27.697 -2.740 -5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -26.613 -4.080 -5.429 1.00 0.00 H new ATOM 121 N VAL A 9 -25.351 -0.858 -0.118 1.00 0.00 N ATOM 122 CA VAL A 9 -24.698 -0.390 1.100 1.00 0.00 C ATOM 123 C VAL A 9 -23.338 0.240 0.784 1.00 0.00 C ATOM 124 O VAL A 9 -22.399 -0.464 0.413 1.00 0.00 O ATOM 125 CB VAL A 9 -24.496 -1.543 2.106 1.00 0.00 C ATOM 126 CG1 VAL A 9 -23.904 -1.027 3.411 1.00 0.00 C ATOM 127 CG2 VAL A 9 -25.806 -2.272 2.360 1.00 0.00 C ATOM 0 H VAL A 9 -25.053 -1.783 -0.427 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.351 0.361 1.545 1.00 0.00 H new ATOM 0 HB VAL A 9 -23.791 -2.251 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.771 -1.858 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.939 -0.561 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.578 -0.292 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.640 -3.081 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -26.538 -1.574 2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.180 -2.684 1.423 1.00 0.00 H new ATOM 137 N PRO A 10 -23.213 1.576 0.924 1.00 0.00 N ATOM 138 CA PRO A 10 -21.956 2.284 0.645 1.00 0.00 C ATOM 139 C PRO A 10 -20.790 1.748 1.470 1.00 0.00 C ATOM 140 O PRO A 10 -20.954 1.397 2.639 1.00 0.00 O ATOM 141 CB PRO A 10 -22.262 3.734 1.034 1.00 0.00 C ATOM 142 CG PRO A 10 -23.745 3.846 0.956 1.00 0.00 C ATOM 143 CD PRO A 10 -24.279 2.502 1.356 1.00 0.00 C ATOM 0 HA PRO A 10 -21.649 2.165 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -21.901 3.959 2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -21.776 4.436 0.356 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.114 4.627 1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -24.065 4.109 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -24.455 2.441 2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -25.227 2.282 0.865 1.00 0.00 H new ATOM 151 N TYR A 11 -19.613 1.690 0.854 1.00 0.00 N ATOM 152 CA TYR A 11 -18.416 1.198 1.529 1.00 0.00 C ATOM 153 C TYR A 11 -17.198 2.043 1.169 1.00 0.00 C ATOM 154 O TYR A 11 -16.758 2.058 0.019 1.00 0.00 O ATOM 155 CB TYR A 11 -18.159 -0.268 1.157 1.00 0.00 C ATOM 156 CG TYR A 11 -16.815 -0.789 1.626 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.594 -1.093 2.964 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.768 -0.975 0.730 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.367 -1.566 3.396 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.539 -1.447 1.154 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.345 -1.741 2.488 1.00 0.00 C ATOM 162 OH TYR A 11 -13.124 -2.211 2.915 1.00 0.00 O ATOM 0 H TYR A 11 -19.462 1.978 -0.113 1.00 0.00 H new ATOM 0 HA TYR A 11 -18.583 1.272 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.948 -0.886 1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.223 -0.375 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.393 -0.958 3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.917 -0.747 -0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.211 -1.797 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.736 -1.585 0.445 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.470 -2.128 2.190 1.00 0.00 H new ATOM 172 N THR A 12 -16.657 2.744 2.161 1.00 0.00 N ATOM 173 CA THR A 12 -15.483 3.581 1.953 1.00 0.00 C ATOM 174 C THR A 12 -14.300 3.083 2.778 1.00 0.00 C ATOM 175 O THR A 12 -14.372 3.045 4.007 1.00 0.00 O ATOM 176 CB THR A 12 -15.750 5.050 2.331 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.596 5.665 1.352 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.439 5.822 2.442 1.00 0.00 C ATOM 0 H THR A 12 -17.014 2.748 3.117 1.00 0.00 H new ATOM 0 HA THR A 12 -15.250 3.521 0.890 1.00 0.00 H new ATOM 0 HB THR A 12 -16.250 5.071 3.299 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.761 6.598 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.648 6.858 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.813 5.368 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.917 5.793 1.485 1.00 0.00 H new ATOM 186 N PRO A 13 -13.193 2.692 2.123 1.00 0.00 N ATOM 187 CA PRO A 13 -12.009 2.224 2.804 1.00 0.00 C ATOM 188 C PRO A 13 -10.963 3.323 2.950 1.00 0.00 C ATOM 189 O PRO A 13 -10.339 3.735 1.971 1.00 0.00 O ATOM 190 CB PRO A 13 -11.517 1.126 1.866 1.00 0.00 C ATOM 191 CG PRO A 13 -11.995 1.521 0.497 1.00 0.00 C ATOM 192 CD PRO A 13 -13.002 2.638 0.672 1.00 0.00 C ATOM 0 HA PRO A 13 -12.203 1.889 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.430 1.045 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.917 0.154 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.160 1.851 -0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.450 0.670 -0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.627 3.583 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.935 2.424 0.151 1.00 0.00 H new ATOM 200 N CYS A 14 -10.801 3.797 4.181 1.00 0.00 N ATOM 201 CA CYS A 14 -9.827 4.840 4.508 1.00 0.00 C ATOM 202 C CYS A 14 -10.303 6.213 4.048 1.00 0.00 C ATOM 203 O CYS A 14 -10.849 6.361 2.954 1.00 0.00 O ATOM 204 CB CYS A 14 -8.461 4.532 3.887 1.00 0.00 C ATOM 205 SG CYS A 14 -7.900 2.818 4.137 1.00 0.00 S ATOM 0 H CYS A 14 -11.340 3.471 4.983 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.727 4.855 5.593 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.506 4.736 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.720 5.211 4.310 1.00 0.00 H new ATOM 210 N SER A 15 -10.084 7.214 4.896 1.00 0.00 N ATOM 211 CA SER A 15 -10.482 8.584 4.594 1.00 0.00 C ATOM 212 C SER A 15 -9.757 9.571 5.503 1.00 0.00 C ATOM 213 O SER A 15 -9.563 9.307 6.691 1.00 0.00 O ATOM 214 CB SER A 15 -11.995 8.752 4.753 1.00 0.00 C ATOM 215 OG SER A 15 -12.702 7.946 3.826 1.00 0.00 O ATOM 0 H SER A 15 -9.630 7.100 5.802 1.00 0.00 H new ATOM 0 HA SER A 15 -10.208 8.792 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.288 8.485 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.264 9.798 4.608 1.00 0.00 H new ATOM 0 HG SER A 15 -12.076 7.581 3.166 1.00 0.00 H new ATOM 221 N GLY A 16 -9.357 10.706 4.940 1.00 0.00 N ATOM 222 CA GLY A 16 -8.664 11.719 5.716 1.00 0.00 C ATOM 223 C GLY A 16 -7.158 11.539 5.711 1.00 0.00 C ATOM 224 O GLY A 16 -6.421 12.458 5.353 1.00 0.00 O ATOM 0 H GLY A 16 -9.500 10.943 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.908 12.704 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.025 11.692 6.744 1.00 0.00 H new ATOM 228 N LEU A 17 -6.698 10.356 6.107 1.00 0.00 N ATOM 229 CA LEU A 17 -5.267 10.071 6.152 1.00 0.00 C ATOM 230 C LEU A 17 -4.712 9.812 4.755 1.00 0.00 C ATOM 231 O LEU A 17 -3.719 10.419 4.352 1.00 0.00 O ATOM 232 CB LEU A 17 -4.997 8.861 7.054 1.00 0.00 C ATOM 233 CG LEU A 17 -5.456 9.018 8.506 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.336 7.695 9.247 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.647 10.099 9.211 1.00 0.00 C ATOM 0 H LEU A 17 -7.293 9.581 6.401 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.763 10.946 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.492 7.990 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.927 8.654 7.048 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.503 9.320 8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.666 7.824 10.278 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.959 6.946 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.297 7.366 9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.989 10.195 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.591 9.827 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.781 11.049 8.694 1.00 0.00 H new ATOM 247 N TYR A 18 -5.355 8.912 4.015 1.00 0.00 N ATOM 248 CA TYR A 18 -4.918 8.585 2.662 1.00 0.00 C ATOM 249 C TYR A 18 -6.096 8.635 1.698 1.00 0.00 C ATOM 250 O TYR A 18 -5.985 9.138 0.579 1.00 0.00 O ATOM 251 CB TYR A 18 -4.263 7.198 2.645 1.00 0.00 C ATOM 252 CG TYR A 18 -3.270 7.001 3.770 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.144 7.808 3.880 1.00 0.00 C ATOM 254 CD2 TYR A 18 -3.469 6.019 4.732 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.247 7.642 4.916 1.00 0.00 C ATOM 256 CE2 TYR A 18 -2.574 5.844 5.770 1.00 0.00 C ATOM 257 CZ TYR A 18 -1.466 6.660 5.859 1.00 0.00 C ATOM 258 OH TYR A 18 -0.574 6.493 6.893 1.00 0.00 O ATOM 0 H TYR A 18 -6.178 8.398 4.329 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.182 9.322 2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.038 6.435 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.757 7.053 1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.968 8.578 3.143 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.338 5.381 4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.377 8.278 4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.741 5.073 6.507 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.027 6.068 7.651 1.00 0.00 H new ATOM 268 N GLY A 19 -7.223 8.104 2.153 1.00 0.00 N ATOM 269 CA GLY A 19 -8.439 8.108 1.358 1.00 0.00 C ATOM 270 C GLY A 19 -8.297 7.415 0.016 1.00 0.00 C ATOM 271 O GLY A 19 -9.148 7.583 -0.857 1.00 0.00 O ATOM 0 H GLY A 19 -7.318 7.665 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.234 7.623 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.750 9.139 1.192 1.00 0.00 H new ATOM 275 N THR A 20 -7.235 6.633 -0.161 1.00 0.00 N ATOM 276 CA THR A 20 -7.016 5.946 -1.429 1.00 0.00 C ATOM 277 C THR A 20 -6.727 4.459 -1.243 1.00 0.00 C ATOM 278 O THR A 20 -5.675 4.082 -0.727 1.00 0.00 O ATOM 279 CB THR A 20 -5.855 6.587 -2.215 1.00 0.00 C ATOM 280 OG1 THR A 20 -6.128 7.974 -2.447 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.643 5.880 -3.545 1.00 0.00 C ATOM 0 H THR A 20 -6.522 6.461 0.548 1.00 0.00 H new ATOM 0 HA THR A 20 -7.943 6.048 -1.992 1.00 0.00 H new ATOM 0 HB THR A 20 -4.947 6.488 -1.620 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.286 8.451 -2.603 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.819 6.351 -4.080 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.407 4.831 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.551 5.950 -4.143 1.00 0.00 H new ATOM 289 N ALA A 21 -7.669 3.621 -1.669 1.00 0.00 N ATOM 290 CA ALA A 21 -7.505 2.169 -1.577 1.00 0.00 C ATOM 291 C ALA A 21 -6.662 1.660 -2.747 1.00 0.00 C ATOM 292 O ALA A 21 -6.744 2.204 -3.849 1.00 0.00 O ATOM 293 CB ALA A 21 -8.866 1.486 -1.557 1.00 0.00 C ATOM 0 H ALA A 21 -8.553 3.920 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.987 1.929 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.730 0.407 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.436 1.836 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.407 1.726 -2.472 1.00 0.00 H new ATOM 299 N GLN A 22 -5.859 0.613 -2.520 1.00 0.00 N ATOM 300 CA GLN A 22 -5.008 0.070 -3.578 1.00 0.00 C ATOM 301 C GLN A 22 -4.222 -1.144 -3.088 1.00 0.00 C ATOM 302 O GLN A 22 -4.232 -1.460 -1.901 1.00 0.00 O ATOM 303 CB GLN A 22 -4.046 1.144 -4.109 1.00 0.00 C ATOM 304 CG GLN A 22 -3.200 1.819 -3.036 1.00 0.00 C ATOM 305 CD GLN A 22 -2.222 2.825 -3.612 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.800 2.604 -4.852 1.00 0.00 O flip ATOM 307 NE2 GLN A 22 -1.851 3.795 -2.950 1.00 0.00 N flip ATOM 0 H GLN A 22 -5.783 0.132 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.659 -0.251 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.382 0.688 -4.844 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.624 1.906 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.855 2.321 -2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.650 1.059 -2.481 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.200 3.928 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.195 4.465 -3.351 1.00 0.00 H new ATOM 316 N CYS A 23 -3.541 -1.818 -4.012 1.00 0.00 N ATOM 317 CA CYS A 23 -2.760 -3.006 -3.676 1.00 0.00 C ATOM 318 C CYS A 23 -1.270 -2.679 -3.596 1.00 0.00 C ATOM 319 O CYS A 23 -0.691 -2.158 -4.549 1.00 0.00 O ATOM 320 CB CYS A 23 -2.994 -4.100 -4.722 1.00 0.00 C ATOM 321 SG CYS A 23 -4.751 -4.434 -5.082 1.00 0.00 S ATOM 0 H CYS A 23 -3.514 -1.562 -4.999 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.087 -3.361 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.494 -3.814 -5.647 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.525 -5.022 -4.378 1.00 0.00 H new ATOM 326 N CYS A 24 -0.652 -2.993 -2.456 1.00 0.00 N ATOM 327 CA CYS A 24 0.775 -2.730 -2.260 1.00 0.00 C ATOM 328 C CYS A 24 1.577 -4.027 -2.264 1.00 0.00 C ATOM 329 O CYS A 24 1.473 -4.833 -1.339 1.00 0.00 O ATOM 330 CB CYS A 24 1.008 -1.983 -0.944 1.00 0.00 C ATOM 331 SG CYS A 24 0.258 -0.324 -0.896 1.00 0.00 S ATOM 0 H CYS A 24 -1.115 -3.428 -1.658 1.00 0.00 H new ATOM 0 HA CYS A 24 1.115 -2.109 -3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.605 -2.577 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.081 -1.891 -0.774 1.00 0.00 H new ATOM 336 N ALA A 25 2.376 -4.222 -3.309 1.00 0.00 N ATOM 337 CA ALA A 25 3.202 -5.415 -3.426 1.00 0.00 C ATOM 338 C ALA A 25 4.541 -5.213 -2.728 1.00 0.00 C ATOM 339 O ALA A 25 5.404 -4.487 -3.220 1.00 0.00 O ATOM 340 CB ALA A 25 3.414 -5.773 -4.889 1.00 0.00 C ATOM 0 H ALA A 25 2.468 -3.568 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 25 2.683 -6.240 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.034 -6.667 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.450 -5.962 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.911 -4.947 -5.397 1.00 0.00 H new ATOM 346 N THR A 26 4.707 -5.859 -1.580 1.00 0.00 N ATOM 347 CA THR A 26 5.940 -5.739 -0.812 1.00 0.00 C ATOM 348 C THR A 26 7.109 -6.388 -1.539 1.00 0.00 C ATOM 349 O THR A 26 6.920 -7.208 -2.439 1.00 0.00 O ATOM 350 CB THR A 26 5.814 -6.381 0.582 1.00 0.00 C ATOM 351 OG1 THR A 26 5.582 -7.788 0.454 1.00 0.00 O ATOM 352 CG2 THR A 26 4.683 -5.746 1.379 1.00 0.00 C ATOM 0 H THR A 26 4.005 -6.470 -1.161 1.00 0.00 H new ATOM 0 HA THR A 26 6.124 -4.671 -0.697 1.00 0.00 H new ATOM 0 HB THR A 26 6.749 -6.212 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.505 -8.189 1.345 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.618 -6.219 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.879 -4.681 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.742 -5.882 0.847 1.00 0.00 H new ATOM 360 N ASP A 27 8.319 -6.013 -1.141 1.00 0.00 N ATOM 361 CA ASP A 27 9.530 -6.558 -1.739 1.00 0.00 C ATOM 362 C ASP A 27 9.803 -7.968 -1.220 1.00 0.00 C ATOM 363 O ASP A 27 8.965 -8.559 -0.541 1.00 0.00 O ATOM 364 CB ASP A 27 10.717 -5.644 -1.440 1.00 0.00 C ATOM 365 CG ASP A 27 10.882 -4.548 -2.475 1.00 0.00 C ATOM 366 OD1 ASP A 27 10.252 -3.481 -2.315 1.00 0.00 O ATOM 367 OD2 ASP A 27 11.640 -4.756 -3.445 1.00 0.00 O ATOM 0 H ASP A 27 8.487 -5.330 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 27 9.388 -6.614 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.585 -5.193 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.629 -6.240 -1.398 1.00 0.00 H new ATOM 372 N VAL A 28 10.981 -8.500 -1.541 1.00 0.00 N ATOM 373 CA VAL A 28 11.353 -9.844 -1.107 1.00 0.00 C ATOM 374 C VAL A 28 12.512 -9.813 -0.109 1.00 0.00 C ATOM 375 O VAL A 28 12.421 -10.387 0.977 1.00 0.00 O ATOM 376 CB VAL A 28 11.722 -10.740 -2.306 1.00 0.00 C ATOM 377 CG1 VAL A 28 12.713 -10.033 -3.210 1.00 0.00 C ATOM 378 CG2 VAL A 28 12.277 -12.077 -1.835 1.00 0.00 C ATOM 0 H VAL A 28 11.691 -8.023 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 28 10.480 -10.267 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 28 10.815 -10.937 -2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.963 -10.679 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.271 -9.108 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.618 -9.803 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.530 -12.691 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.172 -11.909 -1.235 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.528 -12.590 -1.232 1.00 0.00 H new ATOM 388 N LEU A 29 13.599 -9.141 -0.481 1.00 0.00 N ATOM 389 CA LEU A 29 14.769 -9.039 0.385 1.00 0.00 C ATOM 390 C LEU A 29 15.095 -7.581 0.678 1.00 0.00 C ATOM 391 O LEU A 29 15.320 -7.205 1.828 1.00 0.00 O ATOM 392 CB LEU A 29 15.973 -9.730 -0.261 1.00 0.00 C ATOM 393 CG LEU A 29 17.256 -9.730 0.575 1.00 0.00 C ATOM 394 CD1 LEU A 29 17.089 -10.591 1.819 1.00 0.00 C ATOM 395 CD2 LEU A 29 18.429 -10.215 -0.257 1.00 0.00 C ATOM 0 H LEU A 29 13.693 -8.660 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 29 14.542 -9.538 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.703 -10.763 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.181 -9.245 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 29 17.458 -8.708 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.012 -10.577 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.274 -10.198 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.861 -11.615 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 29 19.334 -10.209 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.233 -11.229 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 29 18.564 -9.556 -1.114 1.00 0.00 H new ATOM 407 N GLY A 30 15.126 -6.764 -0.371 1.00 0.00 N ATOM 408 CA GLY A 30 15.405 -5.353 -0.198 1.00 0.00 C ATOM 409 C GLY A 30 14.180 -4.601 0.278 1.00 0.00 C ATOM 410 O GLY A 30 13.940 -3.462 -0.126 1.00 0.00 O ATOM 0 H GLY A 30 14.963 -7.055 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 30 16.214 -5.226 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.749 -4.930 -1.142 1.00 0.00 H new ATOM 414 N VAL A 31 13.402 -5.253 1.139 1.00 0.00 N ATOM 415 CA VAL A 31 12.183 -4.670 1.679 1.00 0.00 C ATOM 416 C VAL A 31 12.434 -3.289 2.273 1.00 0.00 C ATOM 417 O VAL A 31 13.475 -3.036 2.880 1.00 0.00 O ATOM 418 CB VAL A 31 11.558 -5.583 2.750 1.00 0.00 C ATOM 419 CG1 VAL A 31 12.523 -5.776 3.905 1.00 0.00 C ATOM 420 CG2 VAL A 31 10.232 -5.017 3.237 1.00 0.00 C ATOM 0 H VAL A 31 13.600 -6.194 1.478 1.00 0.00 H new ATOM 0 HA VAL A 31 11.487 -4.568 0.846 1.00 0.00 H new ATOM 0 HB VAL A 31 11.360 -6.557 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.068 -6.423 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.442 -6.234 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.753 -4.809 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.809 -5.679 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.395 -4.030 3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.541 -4.936 2.398 1.00 0.00 H new ATOM 430 N ALA A 32 11.454 -2.414 2.091 1.00 0.00 N ATOM 431 CA ALA A 32 11.513 -1.038 2.575 1.00 0.00 C ATOM 432 C ALA A 32 10.307 -0.261 2.067 1.00 0.00 C ATOM 433 O ALA A 32 9.691 0.512 2.800 1.00 0.00 O ATOM 434 CB ALA A 32 12.797 -0.358 2.120 1.00 0.00 C ATOM 0 H ALA A 32 10.589 -2.639 1.600 1.00 0.00 H new ATOM 0 HA ALA A 32 11.501 -1.054 3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.818 0.666 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.656 -0.904 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.837 -0.349 1.031 1.00 0.00 H new ATOM 440 N ASP A 33 9.982 -0.481 0.797 1.00 0.00 N ATOM 441 CA ASP A 33 8.850 0.178 0.158 1.00 0.00 C ATOM 442 C ASP A 33 8.010 -0.846 -0.608 1.00 0.00 C ATOM 443 O ASP A 33 8.527 -1.881 -1.030 1.00 0.00 O ATOM 444 CB ASP A 33 9.350 1.265 -0.798 1.00 0.00 C ATOM 445 CG ASP A 33 10.220 2.293 -0.100 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.424 2.021 0.086 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.697 3.369 0.257 1.00 0.00 O ATOM 0 H ASP A 33 10.493 -1.118 0.185 1.00 0.00 H new ATOM 0 HA ASP A 33 8.230 0.639 0.927 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.917 0.802 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.496 1.765 -1.254 1.00 0.00 H new ATOM 452 N LEU A 34 6.718 -0.564 -0.790 1.00 0.00 N ATOM 453 CA LEU A 34 5.843 -1.484 -1.516 1.00 0.00 C ATOM 454 C LEU A 34 5.183 -0.781 -2.696 1.00 0.00 C ATOM 455 O LEU A 34 4.688 0.338 -2.570 1.00 0.00 O ATOM 456 CB LEU A 34 4.749 -2.090 -0.618 1.00 0.00 C ATOM 457 CG LEU A 34 4.854 -1.816 0.882 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.600 -2.314 1.597 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.094 -2.493 1.454 1.00 0.00 C ATOM 0 H LEU A 34 6.260 0.282 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 34 6.478 -2.295 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.784 -1.720 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.748 -3.170 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 34 4.940 -0.741 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.686 -2.113 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.726 -1.798 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.492 -3.387 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.158 -2.291 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.029 -3.569 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.983 -2.104 0.957 1.00 0.00 H new ATOM 471 N ASP A 35 5.181 -1.452 -3.838 1.00 0.00 N ATOM 472 CA ASP A 35 4.568 -0.914 -5.048 1.00 0.00 C ATOM 473 C ASP A 35 3.054 -0.858 -4.899 1.00 0.00 C ATOM 474 O ASP A 35 2.372 -1.880 -4.981 1.00 0.00 O ATOM 475 CB ASP A 35 4.937 -1.769 -6.263 1.00 0.00 C ATOM 476 CG ASP A 35 3.920 -1.654 -7.384 1.00 0.00 C ATOM 477 OD1 ASP A 35 3.528 -0.515 -7.715 1.00 0.00 O ATOM 478 OD2 ASP A 35 3.517 -2.702 -7.930 1.00 0.00 O ATOM 0 H ASP A 35 5.599 -2.375 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 35 4.946 0.097 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.917 -1.466 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.020 -2.812 -5.958 1.00 0.00 H new ATOM 483 N CYS A 36 2.536 0.343 -4.680 1.00 0.00 N ATOM 484 CA CYS A 36 1.105 0.531 -4.514 1.00 0.00 C ATOM 485 C CYS A 36 0.481 1.133 -5.767 1.00 0.00 C ATOM 486 O CYS A 36 0.708 2.300 -6.088 1.00 0.00 O ATOM 487 CB CYS A 36 0.835 1.426 -3.305 1.00 0.00 C ATOM 488 SG CYS A 36 1.652 0.858 -1.779 1.00 0.00 S ATOM 0 H CYS A 36 3.086 1.199 -4.614 1.00 0.00 H new ATOM 0 HA CYS A 36 0.648 -0.444 -4.347 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.170 2.438 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.240 1.477 -3.134 1.00 0.00 H new ATOM 493 N ALA A 37 -0.306 0.326 -6.472 1.00 0.00 N ATOM 494 CA ALA A 37 -0.973 0.775 -7.686 1.00 0.00 C ATOM 495 C ALA A 37 -2.468 0.949 -7.438 1.00 0.00 C ATOM 496 O ALA A 37 -3.124 0.057 -6.899 1.00 0.00 O ATOM 497 CB ALA A 37 -0.724 -0.206 -8.823 1.00 0.00 C ATOM 0 H ALA A 37 -0.497 -0.644 -6.221 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.560 1.742 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.229 0.144 -9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.347 -0.279 -9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.111 -1.187 -8.548 1.00 0.00 H new ATOM 503 N ASN A 38 -3.002 2.098 -7.839 1.00 0.00 N ATOM 504 CA ASN A 38 -4.419 2.394 -7.633 1.00 0.00 C ATOM 505 C ASN A 38 -5.287 1.656 -8.654 1.00 0.00 C ATOM 506 O ASN A 38 -5.131 1.844 -9.860 1.00 0.00 O ATOM 507 CB ASN A 38 -4.675 3.907 -7.722 1.00 0.00 C ATOM 508 CG ASN A 38 -6.046 4.319 -7.204 1.00 0.00 C ATOM 509 OD1 ASN A 38 -7.040 3.450 -7.357 1.00 0.00 O flip ATOM 510 ND2 ASN A 38 -6.210 5.416 -6.671 1.00 0.00 N flip ATOM 0 H ASN A 38 -2.479 2.838 -8.307 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.690 2.049 -6.635 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.907 4.432 -7.154 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.576 4.224 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.423 6.057 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.133 5.684 -6.329 1.00 0.00 H new ATOM 517 N PRO A 39 -6.214 0.797 -8.178 1.00 0.00 N ATOM 518 CA PRO A 39 -7.118 0.046 -9.042 1.00 0.00 C ATOM 519 C PRO A 39 -8.399 0.821 -9.355 1.00 0.00 C ATOM 520 O PRO A 39 -9.291 0.914 -8.511 1.00 0.00 O ATOM 521 CB PRO A 39 -7.439 -1.183 -8.195 1.00 0.00 C ATOM 522 CG PRO A 39 -7.386 -0.699 -6.784 1.00 0.00 C ATOM 523 CD PRO A 39 -6.440 0.476 -6.754 1.00 0.00 C ATOM 0 HA PRO A 39 -6.677 -0.177 -10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.422 -1.585 -8.438 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.717 -1.981 -8.367 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.378 -0.404 -6.440 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.040 -1.490 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.872 1.322 -6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.507 0.223 -6.250 1.00 0.00 H new ATOM 531 N PRO A 40 -8.515 1.388 -10.571 1.00 0.00 N ATOM 532 CA PRO A 40 -9.704 2.149 -10.959 1.00 0.00 C ATOM 533 C PRO A 40 -10.926 1.253 -11.111 1.00 0.00 C ATOM 534 O PRO A 40 -11.030 0.484 -12.068 1.00 0.00 O ATOM 535 CB PRO A 40 -9.314 2.764 -12.306 1.00 0.00 C ATOM 536 CG PRO A 40 -8.260 1.860 -12.846 1.00 0.00 C ATOM 537 CD PRO A 40 -7.514 1.332 -11.653 1.00 0.00 C ATOM 0 HA PRO A 40 -9.981 2.890 -10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.170 2.819 -12.978 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.939 3.780 -12.183 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.702 1.046 -13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.591 2.398 -13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.159 0.315 -11.819 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.640 1.942 -11.424 1.00 0.00 H new ATOM 545 N ALA A 41 -11.855 1.373 -10.163 1.00 0.00 N ATOM 546 CA ALA A 41 -13.079 0.577 -10.164 1.00 0.00 C ATOM 547 C ALA A 41 -13.909 0.872 -8.920 1.00 0.00 C ATOM 548 O ALA A 41 -13.429 1.500 -7.977 1.00 0.00 O ATOM 549 CB ALA A 41 -12.754 -0.909 -10.230 1.00 0.00 C ATOM 0 H ALA A 41 -11.780 2.020 -9.378 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.658 0.848 -11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.680 -1.484 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.196 -1.119 -11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.153 -1.189 -9.365 1.00 0.00 H new ATOM 555 N THR A 42 -15.156 0.413 -8.926 1.00 0.00 N ATOM 556 CA THR A 42 -16.051 0.624 -7.796 1.00 0.00 C ATOM 557 C THR A 42 -15.985 -0.542 -6.812 1.00 0.00 C ATOM 558 O THR A 42 -16.708 -1.528 -6.952 1.00 0.00 O ATOM 559 CB THR A 42 -17.508 0.818 -8.265 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.402 0.707 -7.152 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.881 -0.204 -9.330 1.00 0.00 C ATOM 0 H THR A 42 -15.569 -0.107 -9.700 1.00 0.00 H new ATOM 0 HA THR A 42 -15.719 1.531 -7.291 1.00 0.00 H new ATOM 0 HB THR A 42 -17.593 1.814 -8.700 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.324 0.833 -7.459 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.913 -0.044 -9.642 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.220 -0.091 -10.190 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.777 -1.209 -8.922 1.00 0.00 H new ATOM 569 N LEU A 43 -15.107 -0.420 -5.820 1.00 0.00 N ATOM 570 CA LEU A 43 -14.944 -1.459 -4.807 1.00 0.00 C ATOM 571 C LEU A 43 -16.284 -1.773 -4.142 1.00 0.00 C ATOM 572 O LEU A 43 -16.734 -1.046 -3.255 1.00 0.00 O ATOM 573 CB LEU A 43 -13.928 -1.011 -3.746 1.00 0.00 C ATOM 574 CG LEU A 43 -12.689 -0.289 -4.290 1.00 0.00 C ATOM 575 CD1 LEU A 43 -11.890 0.330 -3.152 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.817 -1.246 -5.091 1.00 0.00 C ATOM 0 H LEU A 43 -14.497 0.388 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.575 -2.361 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.432 -0.351 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.601 -1.887 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.023 0.509 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.015 0.838 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.513 1.049 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.570 -0.453 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.944 -0.714 -5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.493 -2.066 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.389 -1.644 -5.929 1.00 0.00 H new ATOM 588 N ALA A 44 -16.915 -2.860 -4.585 1.00 0.00 N ATOM 589 CA ALA A 44 -18.208 -3.281 -4.050 1.00 0.00 C ATOM 590 C ALA A 44 -18.189 -3.351 -2.527 1.00 0.00 C ATOM 591 O ALA A 44 -19.104 -2.868 -1.862 1.00 0.00 O ATOM 592 CB ALA A 44 -18.603 -4.630 -4.632 1.00 0.00 C ATOM 0 H ALA A 44 -16.548 -3.468 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.947 -2.534 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.568 -4.933 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.674 -4.551 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.850 -5.373 -4.371 1.00 0.00 H new ATOM 598 N ASN A 45 -17.143 -3.961 -1.983 1.00 0.00 N ATOM 599 CA ASN A 45 -17.001 -4.094 -0.538 1.00 0.00 C ATOM 600 C ASN A 45 -15.557 -4.415 -0.167 1.00 0.00 C ATOM 601 O ASN A 45 -14.656 -4.294 -0.997 1.00 0.00 O ATOM 602 CB ASN A 45 -17.955 -5.166 0.008 1.00 0.00 C ATOM 603 CG ASN A 45 -17.943 -6.447 -0.807 1.00 0.00 C ATOM 604 OD1 ASN A 45 -16.765 -6.866 -1.247 1.00 0.00 O flip ATOM 605 ND2 ASN A 45 -18.986 -7.063 -1.023 1.00 0.00 N flip ATOM 0 H ASN A 45 -16.380 -4.372 -2.521 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.267 -3.141 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.682 -5.396 1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.968 -4.765 0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -19.872 -6.706 -0.666 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.964 -7.931 -1.559 1.00 0.00 H new ATOM 612 N ALA A 46 -15.340 -4.825 1.077 1.00 0.00 N ATOM 613 CA ALA A 46 -13.998 -5.144 1.544 1.00 0.00 C ATOM 614 C ALA A 46 -13.475 -6.431 0.921 1.00 0.00 C ATOM 615 O ALA A 46 -12.406 -6.440 0.317 1.00 0.00 O ATOM 616 CB ALA A 46 -13.977 -5.238 3.061 1.00 0.00 C ATOM 0 H ALA A 46 -16.073 -4.944 1.777 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.336 -4.337 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.968 -5.477 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.285 -4.284 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.663 -6.020 3.387 1.00 0.00 H new ATOM 622 N THR A 47 -14.229 -7.511 1.069 1.00 0.00 N ATOM 623 CA THR A 47 -13.832 -8.802 0.520 1.00 0.00 C ATOM 624 C THR A 47 -13.553 -8.705 -0.979 1.00 0.00 C ATOM 625 O THR A 47 -12.883 -9.564 -1.553 1.00 0.00 O ATOM 626 CB THR A 47 -14.916 -9.871 0.759 1.00 0.00 C ATOM 627 OG1 THR A 47 -15.290 -9.886 2.143 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.416 -11.250 0.353 1.00 0.00 C ATOM 0 H THR A 47 -15.120 -7.520 1.565 1.00 0.00 H new ATOM 0 HA THR A 47 -12.919 -9.096 1.038 1.00 0.00 H new ATOM 0 HB THR A 47 -15.783 -9.620 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.980 -10.566 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.198 -11.988 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.155 -11.245 -0.705 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.535 -11.506 0.942 1.00 0.00 H new ATOM 636 N HIS A 48 -14.061 -7.650 -1.607 1.00 0.00 N ATOM 637 CA HIS A 48 -13.881 -7.458 -3.042 1.00 0.00 C ATOM 638 C HIS A 48 -12.474 -6.984 -3.377 1.00 0.00 C ATOM 639 O HIS A 48 -11.770 -7.635 -4.151 1.00 0.00 O ATOM 640 CB HIS A 48 -14.916 -6.470 -3.588 1.00 0.00 C ATOM 641 CG HIS A 48 -14.819 -6.252 -5.068 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.586 -6.947 -5.980 1.00 0.00 N ATOM 643 CD2 HIS A 48 -14.045 -5.410 -5.795 1.00 0.00 C ATOM 644 CE1 HIS A 48 -15.288 -6.542 -7.202 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.357 -5.609 -7.116 1.00 0.00 N ATOM 0 H HIS A 48 -14.599 -6.916 -1.147 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.028 -8.427 -3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.915 -6.834 -3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.795 -5.513 -3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.318 -4.712 -5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.730 -6.911 -8.116 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.938 -5.116 -7.904 1.00 0.00 H new ATOM 654 N PHE A 49 -12.051 -5.858 -2.804 1.00 0.00 N ATOM 655 CA PHE A 49 -10.718 -5.353 -3.090 1.00 0.00 C ATOM 656 C PHE A 49 -9.684 -6.105 -2.266 1.00 0.00 C ATOM 657 O PHE A 49 -8.489 -6.066 -2.559 1.00 0.00 O ATOM 658 CB PHE A 49 -10.626 -3.828 -2.922 1.00 0.00 C ATOM 659 CG PHE A 49 -10.479 -3.313 -1.522 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.309 -3.743 -0.504 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.519 -2.355 -1.241 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.180 -3.227 0.773 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.383 -1.841 0.030 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.215 -2.275 1.038 1.00 0.00 C ATOM 0 H PHE A 49 -12.599 -5.293 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.498 -5.540 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.778 -3.472 -3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.521 -3.383 -3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.064 -4.488 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.868 -2.006 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.833 -3.568 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.625 -1.099 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.113 -1.871 2.035 1.00 0.00 H new ATOM 674 N GLU A 50 -10.154 -6.785 -1.224 1.00 0.00 N ATOM 675 CA GLU A 50 -9.275 -7.594 -0.392 1.00 0.00 C ATOM 676 C GLU A 50 -8.756 -8.773 -1.209 1.00 0.00 C ATOM 677 O GLU A 50 -7.598 -9.171 -1.080 1.00 0.00 O ATOM 678 CB GLU A 50 -10.014 -8.110 0.847 1.00 0.00 C ATOM 679 CG GLU A 50 -9.901 -7.201 2.060 1.00 0.00 C ATOM 680 CD GLU A 50 -10.564 -7.788 3.291 1.00 0.00 C ATOM 681 OE1 GLU A 50 -9.885 -8.527 4.035 1.00 0.00 O ATOM 682 OE2 GLU A 50 -11.762 -7.511 3.510 1.00 0.00 O ATOM 0 H GLU A 50 -11.133 -6.791 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.442 -6.975 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.068 -8.240 0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.624 -9.094 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.848 -7.014 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.356 -6.237 1.831 1.00 0.00 H new ATOM 689 N SER A 51 -9.629 -9.329 -2.057 1.00 0.00 N ATOM 690 CA SER A 51 -9.262 -10.456 -2.905 1.00 0.00 C ATOM 691 C SER A 51 -8.571 -9.986 -4.183 1.00 0.00 C ATOM 692 O SER A 51 -7.679 -10.662 -4.696 1.00 0.00 O ATOM 693 CB SER A 51 -10.501 -11.279 -3.260 1.00 0.00 C ATOM 694 OG SER A 51 -10.160 -12.393 -4.067 1.00 0.00 O ATOM 0 H SER A 51 -10.592 -9.013 -2.170 1.00 0.00 H new ATOM 0 HA SER A 51 -8.563 -11.079 -2.346 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.987 -11.623 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.220 -10.651 -3.787 1.00 0.00 H new ATOM 0 HG SER A 51 -10.969 -12.904 -4.279 1.00 0.00 H new ATOM 700 N THR A 52 -8.988 -8.829 -4.699 1.00 0.00 N ATOM 701 CA THR A 52 -8.400 -8.288 -5.922 1.00 0.00 C ATOM 702 C THR A 52 -6.891 -8.122 -5.770 1.00 0.00 C ATOM 703 O THR A 52 -6.140 -8.270 -6.735 1.00 0.00 O ATOM 704 CB THR A 52 -9.038 -6.935 -6.322 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.982 -6.774 -7.745 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.332 -5.757 -5.659 1.00 0.00 C ATOM 0 H THR A 52 -9.725 -8.253 -4.292 1.00 0.00 H new ATOM 0 HA THR A 52 -8.604 -9.005 -6.717 1.00 0.00 H new ATOM 0 HB THR A 52 -10.074 -6.947 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.388 -5.917 -7.994 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.810 -4.827 -5.966 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.396 -5.858 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.285 -5.743 -5.961 1.00 0.00 H new ATOM 714 N CYS A 53 -6.456 -7.815 -4.552 1.00 0.00 N ATOM 715 CA CYS A 53 -5.037 -7.643 -4.267 1.00 0.00 C ATOM 716 C CYS A 53 -4.387 -8.995 -3.986 1.00 0.00 C ATOM 717 O CYS A 53 -3.317 -9.302 -4.510 1.00 0.00 O ATOM 718 CB CYS A 53 -4.839 -6.710 -3.069 1.00 0.00 C ATOM 719 SG CYS A 53 -5.520 -5.035 -3.302 1.00 0.00 S ATOM 0 H CYS A 53 -7.067 -7.680 -3.746 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.563 -7.196 -5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.304 -7.160 -2.192 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.773 -6.630 -2.858 1.00 0.00 H new ATOM 724 N ALA A 54 -5.048 -9.799 -3.155 1.00 0.00 N ATOM 725 CA ALA A 54 -4.545 -11.121 -2.799 1.00 0.00 C ATOM 726 C ALA A 54 -4.443 -12.033 -4.020 1.00 0.00 C ATOM 727 O ALA A 54 -3.793 -13.077 -3.966 1.00 0.00 O ATOM 728 CB ALA A 54 -5.441 -11.753 -1.746 1.00 0.00 C ATOM 0 H ALA A 54 -5.936 -9.555 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.541 -10.998 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.057 -12.740 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.456 -11.124 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.453 -11.849 -2.139 1.00 0.00 H new ATOM 734 N ALA A 55 -5.089 -11.637 -5.116 1.00 0.00 N ATOM 735 CA ALA A 55 -5.061 -12.425 -6.346 1.00 0.00 C ATOM 736 C ALA A 55 -3.630 -12.780 -6.728 1.00 0.00 C ATOM 737 O ALA A 55 -3.317 -13.937 -7.007 1.00 0.00 O ATOM 738 CB ALA A 55 -5.737 -11.670 -7.480 1.00 0.00 C ATOM 0 H ALA A 55 -5.636 -10.778 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.609 -13.350 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.706 -12.273 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.774 -11.467 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.215 -10.728 -7.652 1.00 0.00 H new ATOM 744 N ILE A 56 -2.765 -11.771 -6.737 1.00 0.00 N ATOM 745 CA ILE A 56 -1.360 -11.971 -7.073 1.00 0.00 C ATOM 746 C ILE A 56 -0.541 -12.263 -5.819 1.00 0.00 C ATOM 747 O ILE A 56 0.647 -12.577 -5.895 1.00 0.00 O ATOM 748 CB ILE A 56 -0.772 -10.742 -7.795 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.964 -9.485 -6.940 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.425 -10.575 -9.160 1.00 0.00 C ATOM 751 CD1 ILE A 56 -0.424 -8.222 -7.578 1.00 0.00 C ATOM 0 H ILE A 56 -3.012 -10.807 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.308 -12.827 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 56 0.297 -10.894 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.027 -9.353 -6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.473 -9.633 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.003 -9.704 -9.661 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.242 -11.465 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.499 -10.436 -9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.597 -7.376 -6.913 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.646 -8.332 -7.754 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.932 -8.048 -8.527 1.00 0.00 H new ATOM 763 N GLY A 57 -1.194 -12.153 -4.664 1.00 0.00 N ATOM 764 CA GLY A 57 -0.528 -12.411 -3.397 1.00 0.00 C ATOM 765 C GLY A 57 -0.298 -11.144 -2.595 1.00 0.00 C ATOM 766 O GLY A 57 0.541 -11.118 -1.694 1.00 0.00 O ATOM 0 H GLY A 57 -2.176 -11.889 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.128 -13.106 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.429 -12.897 -3.585 1.00 0.00 H new ATOM 770 N GLN A 58 -1.047 -10.090 -2.918 1.00 0.00 N ATOM 771 CA GLN A 58 -0.912 -8.814 -2.222 1.00 0.00 C ATOM 772 C GLN A 58 -2.030 -8.622 -1.199 1.00 0.00 C ATOM 773 O GLN A 58 -2.725 -9.570 -0.836 1.00 0.00 O ATOM 774 CB GLN A 58 -0.921 -7.656 -3.228 1.00 0.00 C ATOM 775 CG GLN A 58 0.365 -7.521 -4.034 1.00 0.00 C ATOM 776 CD GLN A 58 1.414 -8.545 -3.645 1.00 0.00 C ATOM 777 OE1 GLN A 58 1.424 -9.673 -4.342 1.00 0.00 O flip ATOM 778 NE2 GLN A 58 2.209 -8.322 -2.733 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.751 -10.096 -3.656 1.00 0.00 H new ATOM 0 HA GLN A 58 0.040 -8.821 -1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.755 -7.793 -3.916 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.100 -6.724 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.136 -7.627 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.772 -6.520 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.165 -7.440 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.912 -9.019 -2.487 1.00 0.00 H new ATOM 787 N ARG A 59 -2.189 -7.385 -0.732 1.00 0.00 N ATOM 788 CA ARG A 59 -3.215 -7.059 0.254 1.00 0.00 C ATOM 789 C ARG A 59 -3.746 -5.645 0.050 1.00 0.00 C ATOM 790 O ARG A 59 -3.064 -4.784 -0.508 1.00 0.00 O ATOM 791 CB ARG A 59 -2.653 -7.193 1.672 1.00 0.00 C ATOM 792 CG ARG A 59 -1.647 -6.111 2.034 1.00 0.00 C ATOM 793 CD ARG A 59 -0.312 -6.322 1.336 1.00 0.00 C ATOM 794 NE ARG A 59 0.265 -7.627 1.644 1.00 0.00 N ATOM 795 CZ ARG A 59 1.339 -8.122 1.034 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.952 -7.421 0.089 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.799 -9.320 1.369 1.00 0.00 N ATOM 0 H ARG A 59 -1.618 -6.591 -1.022 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.037 -7.762 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.477 -7.164 2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.177 -8.168 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.049 -5.135 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.495 -6.103 3.113 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.448 -6.231 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.383 -5.538 1.637 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.180 -8.191 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.600 -6.500 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.775 -7.803 -0.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.329 -9.862 2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.622 -9.699 0.901 1.00 0.00 H new ATOM 811 N ALA A 60 -4.970 -5.419 0.510 1.00 0.00 N ATOM 812 CA ALA A 60 -5.607 -4.112 0.399 1.00 0.00 C ATOM 813 C ALA A 60 -4.960 -3.115 1.360 1.00 0.00 C ATOM 814 O ALA A 60 -4.889 -3.361 2.564 1.00 0.00 O ATOM 815 CB ALA A 60 -7.101 -4.230 0.674 1.00 0.00 C ATOM 0 H ALA A 60 -5.544 -6.128 0.966 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.469 -3.743 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.565 -3.248 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.552 -4.909 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.256 -4.618 1.681 1.00 0.00 H new ATOM 821 N ARG A 61 -4.491 -1.991 0.821 1.00 0.00 N ATOM 822 CA ARG A 61 -3.836 -0.965 1.628 1.00 0.00 C ATOM 823 C ARG A 61 -4.370 0.430 1.298 1.00 0.00 C ATOM 824 O ARG A 61 -5.280 0.586 0.484 1.00 0.00 O ATOM 825 CB ARG A 61 -2.327 -0.996 1.382 1.00 0.00 C ATOM 826 CG ARG A 61 -1.698 -2.360 1.605 1.00 0.00 C ATOM 827 CD ARG A 61 -1.394 -2.608 3.070 1.00 0.00 C ATOM 828 NE ARG A 61 -0.120 -2.020 3.478 1.00 0.00 N ATOM 829 CZ ARG A 61 0.435 -2.217 4.671 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.179 -2.964 5.579 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.607 -1.664 4.957 1.00 0.00 N ATOM 0 H ARG A 61 -4.553 -1.768 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.049 -1.178 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.128 -0.678 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.846 -0.272 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.371 -3.135 1.237 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.778 -2.435 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.196 -2.193 3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.373 -3.681 3.258 1.00 0.00 H new ATOM 0 HE ARG A 61 0.371 -1.425 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.080 -3.390 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.250 -3.112 6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.082 -1.088 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.033 -1.815 5.872 1.00 0.00 H new ATOM 845 N CYS A 62 -3.789 1.439 1.945 1.00 0.00 N ATOM 846 CA CYS A 62 -4.166 2.835 1.728 1.00 0.00 C ATOM 847 C CYS A 62 -2.941 3.728 1.928 1.00 0.00 C ATOM 848 O CYS A 62 -2.425 3.825 3.039 1.00 0.00 O ATOM 849 CB CYS A 62 -5.276 3.256 2.694 1.00 0.00 C ATOM 850 SG CYS A 62 -6.861 2.393 2.446 1.00 0.00 S ATOM 0 H CYS A 62 -3.046 1.313 2.632 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.539 2.942 0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.937 3.081 3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.441 4.329 2.593 1.00 0.00 H new ATOM 855 N CYS A 63 -2.481 4.392 0.865 1.00 0.00 N ATOM 856 CA CYS A 63 -1.290 5.236 0.959 1.00 0.00 C ATOM 857 C CYS A 63 -1.547 6.647 0.443 1.00 0.00 C ATOM 858 O CYS A 63 -2.571 6.913 -0.188 1.00 0.00 O ATOM 859 CB CYS A 63 -0.155 4.601 0.160 1.00 0.00 C ATOM 860 SG CYS A 63 -0.257 2.789 0.048 1.00 0.00 S ATOM 0 H CYS A 63 -2.910 4.362 -0.060 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.018 5.312 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.155 5.018 -0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.796 4.874 0.618 1.00 0.00 H new ATOM 865 N LYS A 64 -0.606 7.552 0.720 1.00 0.00 N ATOM 866 CA LYS A 64 -0.728 8.941 0.272 1.00 0.00 C ATOM 867 C LYS A 64 0.102 9.178 -0.996 1.00 0.00 C ATOM 868 O LYS A 64 0.733 8.252 -1.506 1.00 0.00 O ATOM 869 CB LYS A 64 -0.328 9.904 1.414 1.00 0.00 C ATOM 870 CG LYS A 64 0.908 10.770 1.158 1.00 0.00 C ATOM 871 CD LYS A 64 2.190 9.953 1.112 1.00 0.00 C ATOM 872 CE LYS A 64 2.634 9.535 2.500 1.00 0.00 C ATOM 873 NZ LYS A 64 3.990 8.915 2.489 1.00 0.00 N ATOM 0 H LYS A 64 0.243 7.350 1.248 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.768 9.143 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.172 10.562 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.155 9.316 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.786 11.303 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.989 11.524 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.036 9.067 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.978 10.538 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.638 10.405 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.915 8.827 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.186 8.492 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.028 8.176 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.703 9.643 2.283 1.00 0.00 H new ATOM 887 N ASP A 65 0.074 10.417 -1.501 1.00 0.00 N ATOM 888 CA ASP A 65 0.816 10.805 -2.706 1.00 0.00 C ATOM 889 C ASP A 65 0.086 10.348 -3.965 1.00 0.00 C ATOM 890 O ASP A 65 0.601 10.475 -5.077 1.00 0.00 O ATOM 891 CB ASP A 65 2.245 10.245 -2.685 1.00 0.00 C ATOM 892 CG ASP A 65 3.110 10.818 -3.791 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.613 11.949 -3.627 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.288 10.133 -4.821 1.00 0.00 O ATOM 0 H ASP A 65 -0.463 11.178 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 65 0.878 11.893 -2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.703 10.463 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.208 9.160 -2.782 1.00 0.00 H new ATOM 899 N ASP A 66 -1.117 9.821 -3.780 1.00 0.00 N ATOM 900 CA ASP A 66 -1.931 9.357 -4.894 1.00 0.00 C ATOM 901 C ASP A 66 -3.235 10.143 -4.967 1.00 0.00 C ATOM 902 O ASP A 66 -4.223 9.684 -5.540 1.00 0.00 O ATOM 903 CB ASP A 66 -2.224 7.864 -4.746 1.00 0.00 C ATOM 904 CG ASP A 66 -2.623 7.495 -3.331 1.00 0.00 C ATOM 905 OD1 ASP A 66 -3.412 8.247 -2.723 1.00 0.00 O ATOM 906 OD2 ASP A 66 -2.140 6.459 -2.830 1.00 0.00 O ATOM 0 H ASP A 66 -1.552 9.704 -2.865 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.377 9.519 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.023 7.583 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.342 7.292 -5.033 1.00 0.00 H new ATOM 911 N VAL A 67 -3.222 11.334 -4.380 1.00 0.00 N ATOM 912 CA VAL A 67 -4.397 12.197 -4.363 1.00 0.00 C ATOM 913 C VAL A 67 -4.182 13.453 -5.207 1.00 0.00 C ATOM 914 O VAL A 67 -5.129 13.995 -5.779 1.00 0.00 O ATOM 915 CB VAL A 67 -4.759 12.609 -2.923 1.00 0.00 C ATOM 916 CG1 VAL A 67 -5.016 11.379 -2.066 1.00 0.00 C ATOM 917 CG2 VAL A 67 -3.658 13.465 -2.316 1.00 0.00 C ATOM 0 H VAL A 67 -2.407 11.725 -3.908 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.219 11.623 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.673 13.203 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.270 11.689 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.842 10.807 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.120 10.759 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.934 13.745 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.726 12.900 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.524 14.365 -2.916 1.00 0.00 H new ATOM 927 N THR A 68 -2.935 13.913 -5.279 1.00 0.00 N ATOM 928 CA THR A 68 -2.600 15.109 -6.048 1.00 0.00 C ATOM 929 C THR A 68 -2.854 14.905 -7.541 1.00 0.00 C ATOM 930 O THR A 68 -2.751 15.846 -8.330 1.00 0.00 O ATOM 931 CB THR A 68 -1.128 15.524 -5.839 1.00 0.00 C ATOM 932 OG1 THR A 68 -0.912 16.838 -6.367 1.00 0.00 O ATOM 933 CG2 THR A 68 -0.175 14.545 -6.517 1.00 0.00 C ATOM 0 H THR A 68 -2.140 13.475 -4.814 1.00 0.00 H new ATOM 0 HA THR A 68 -3.249 15.904 -5.681 1.00 0.00 H new ATOM 0 HB THR A 68 -0.927 15.517 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.427 16.947 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.854 14.865 -6.351 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.317 13.549 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.380 14.520 -7.587 1.00 0.00 H new ATOM 941 N ASN A 69 -3.187 13.675 -7.921 1.00 0.00 N ATOM 942 CA ASN A 69 -3.453 13.350 -9.316 1.00 0.00 C ATOM 943 C ASN A 69 -4.117 11.984 -9.429 1.00 0.00 C ATOM 944 O ASN A 69 -3.551 10.969 -9.023 1.00 0.00 O ATOM 945 CB ASN A 69 -2.152 13.368 -10.124 1.00 0.00 C ATOM 946 CG ASN A 69 -2.371 13.050 -11.592 1.00 0.00 C ATOM 947 OD1 ASN A 69 -3.523 13.445 -12.122 1.00 0.00 O flip ATOM 948 ND2 ASN A 69 -1.510 12.460 -12.244 1.00 0.00 N flip ATOM 0 H ASN A 69 -3.279 12.887 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.130 14.102 -9.720 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.687 14.350 -10.034 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.455 12.645 -9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.639 12.174 -11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.668 12.257 -13.231 1.00 0.00 H new ATOM 955 N THR A 70 -5.325 11.969 -9.977 1.00 0.00 N ATOM 956 CA THR A 70 -6.078 10.737 -10.152 1.00 0.00 C ATOM 957 C THR A 70 -5.357 9.769 -11.087 1.00 0.00 C ATOM 958 O THR A 70 -5.744 8.607 -11.209 1.00 0.00 O ATOM 959 CB THR A 70 -7.479 11.027 -10.712 1.00 0.00 C ATOM 960 OG1 THR A 70 -7.373 11.709 -11.968 1.00 0.00 O ATOM 961 CG2 THR A 70 -8.288 11.871 -9.738 1.00 0.00 C ATOM 0 H THR A 70 -5.806 12.804 -10.310 1.00 0.00 H new ATOM 0 HA THR A 70 -6.168 10.276 -9.169 1.00 0.00 H new ATOM 0 HB THR A 70 -7.992 10.076 -10.857 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.270 11.889 -12.319 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.276 12.063 -10.157 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.392 11.337 -8.793 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.777 12.818 -9.565 1.00 0.00 H new ATOM 969 N GLY A 71 -4.309 10.257 -11.747 1.00 0.00 N ATOM 970 CA GLY A 71 -3.556 9.421 -12.664 1.00 0.00 C ATOM 971 C GLY A 71 -2.344 8.781 -12.012 1.00 0.00 C ATOM 972 O GLY A 71 -1.564 8.098 -12.676 1.00 0.00 O ATOM 0 H GLY A 71 -3.969 11.215 -11.663 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.208 8.640 -13.056 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.232 10.022 -13.514 1.00 0.00 H new ATOM 976 N ASN A 72 -2.186 9.002 -10.711 1.00 0.00 N ATOM 977 CA ASN A 72 -1.061 8.441 -9.971 1.00 0.00 C ATOM 978 C ASN A 72 -1.228 6.935 -9.787 1.00 0.00 C ATOM 979 O ASN A 72 -1.912 6.484 -8.868 1.00 0.00 O ATOM 980 CB ASN A 72 -0.928 9.120 -8.606 1.00 0.00 C ATOM 981 CG ASN A 72 -0.503 10.570 -8.722 1.00 0.00 C ATOM 982 OD1 ASN A 72 0.197 10.953 -9.660 1.00 0.00 O ATOM 983 ND2 ASN A 72 -0.924 11.389 -7.764 1.00 0.00 N ATOM 0 H ASN A 72 -2.823 9.565 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.154 8.622 -10.548 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.882 9.064 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.200 8.578 -8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.669 12.376 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.503 11.030 -7.004 1.00 0.00 H new ATOM 990 N SER A 73 -0.600 6.162 -10.668 1.00 0.00 N ATOM 991 CA SER A 73 -0.680 4.707 -10.601 1.00 0.00 C ATOM 992 C SER A 73 0.489 4.134 -9.806 1.00 0.00 C ATOM 993 O SER A 73 0.320 3.680 -8.675 1.00 0.00 O ATOM 994 CB SER A 73 -0.698 4.111 -12.010 1.00 0.00 C ATOM 995 OG SER A 73 -0.777 2.696 -11.964 1.00 0.00 O ATOM 0 H SER A 73 -0.031 6.519 -11.436 1.00 0.00 H new ATOM 0 HA SER A 73 -1.606 4.441 -10.091 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.548 4.508 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.202 4.411 -12.547 1.00 0.00 H new ATOM 0 HG SER A 73 -0.789 2.339 -12.877 1.00 0.00 H new ATOM 1001 N PHE A 74 1.675 4.158 -10.406 1.00 0.00 N ATOM 1002 CA PHE A 74 2.875 3.633 -9.742 1.00 0.00 C ATOM 1003 C PHE A 74 3.553 4.706 -8.898 1.00 0.00 C ATOM 1004 O PHE A 74 3.828 5.805 -9.379 1.00 0.00 O ATOM 1005 CB PHE A 74 3.890 3.067 -10.747 1.00 0.00 C ATOM 1006 CG PHE A 74 4.677 1.915 -10.191 1.00 0.00 C ATOM 1007 CD1 PHE A 74 5.527 2.105 -9.113 1.00 0.00 C ATOM 1008 CD2 PHE A 74 4.565 0.648 -10.738 1.00 0.00 C ATOM 1009 CE1 PHE A 74 6.252 1.054 -8.590 1.00 0.00 C ATOM 1010 CE2 PHE A 74 5.289 -0.409 -10.221 1.00 0.00 C ATOM 1011 CZ PHE A 74 6.134 -0.206 -9.145 1.00 0.00 C ATOM 0 H PHE A 74 1.836 4.530 -11.342 1.00 0.00 H new ATOM 0 HA PHE A 74 2.538 2.823 -9.096 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.364 2.742 -11.645 1.00 0.00 H new ATOM 0 HB3 PHE A 74 4.576 3.858 -11.049 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.623 3.088 -8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.905 0.484 -11.577 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.910 1.216 -7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.195 -1.393 -10.657 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.701 -1.031 -8.739 1.00 0.00 H new ATOM 1021 N LEU A 75 3.826 4.374 -7.637 1.00 0.00 N ATOM 1022 CA LEU A 75 4.484 5.303 -6.726 1.00 0.00 C ATOM 1023 C LEU A 75 5.484 4.571 -5.836 1.00 0.00 C ATOM 1024 O LEU A 75 5.328 3.384 -5.551 1.00 0.00 O ATOM 1025 CB LEU A 75 3.460 6.023 -5.846 1.00 0.00 C ATOM 1026 CG LEU A 75 2.278 6.647 -6.592 1.00 0.00 C ATOM 1027 CD1 LEU A 75 1.186 7.047 -5.614 1.00 0.00 C ATOM 1028 CD2 LEU A 75 2.733 7.855 -7.401 1.00 0.00 C ATOM 0 H LEU A 75 3.601 3.468 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 75 5.013 6.038 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.073 5.314 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.972 6.808 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 75 1.874 5.904 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.353 7.489 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.840 6.165 -5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.581 7.774 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.879 8.285 -7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.161 8.601 -6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.485 7.545 -8.127 1.00 0.00 H new ATOM 1040 N ILE A 76 6.506 5.294 -5.402 1.00 0.00 N ATOM 1041 CA ILE A 76 7.531 4.738 -4.525 1.00 0.00 C ATOM 1042 C ILE A 76 7.339 5.301 -3.127 1.00 0.00 C ATOM 1043 O ILE A 76 7.713 6.443 -2.859 1.00 0.00 O ATOM 1044 CB ILE A 76 8.956 5.081 -5.015 1.00 0.00 C ATOM 1045 CG1 ILE A 76 9.164 4.599 -6.454 1.00 0.00 C ATOM 1046 CG2 ILE A 76 9.997 4.472 -4.085 1.00 0.00 C ATOM 1047 CD1 ILE A 76 9.161 3.093 -6.603 1.00 0.00 C ATOM 0 H ILE A 76 6.650 6.274 -5.644 1.00 0.00 H new ATOM 0 HA ILE A 76 7.427 3.653 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 76 9.075 6.164 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.379 5.018 -7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.112 4.989 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.996 4.722 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.862 4.869 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.879 3.389 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 76 9.314 2.831 -7.650 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.963 2.666 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.204 2.696 -6.265 1.00 0.00 H new ATOM 1059 N ILE A 77 6.757 4.509 -2.235 1.00 0.00 N ATOM 1060 CA ILE A 77 6.496 4.989 -0.885 1.00 0.00 C ATOM 1061 C ILE A 77 6.848 3.968 0.183 1.00 0.00 C ATOM 1062 O ILE A 77 6.863 2.762 -0.062 1.00 0.00 O ATOM 1063 CB ILE A 77 5.019 5.385 -0.733 1.00 0.00 C ATOM 1064 CG1 ILE A 77 4.123 4.272 -1.305 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.767 6.732 -1.406 1.00 0.00 C ATOM 1066 CD1 ILE A 77 3.035 4.753 -2.245 1.00 0.00 C ATOM 0 H ILE A 77 6.462 3.550 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 77 7.138 5.858 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 77 4.771 5.499 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.751 3.555 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.658 3.737 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.718 7.004 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.392 7.494 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.011 6.661 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.455 3.900 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.378 5.445 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.488 5.260 -3.097 1.00 0.00 H new ATOM 1078 N ASN A 78 7.122 4.478 1.378 1.00 0.00 N ATOM 1079 CA ASN A 78 7.480 3.646 2.517 1.00 0.00 C ATOM 1080 C ASN A 78 6.278 2.836 2.989 1.00 0.00 C ATOM 1081 O ASN A 78 5.132 3.235 2.786 1.00 0.00 O ATOM 1082 CB ASN A 78 7.998 4.529 3.654 1.00 0.00 C ATOM 1083 CG ASN A 78 8.836 3.754 4.654 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.440 2.737 4.317 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.883 4.237 5.889 1.00 0.00 N ATOM 0 H ASN A 78 7.102 5.477 1.583 1.00 0.00 H new ATOM 0 HA ASN A 78 8.263 2.951 2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.594 5.341 3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.153 4.986 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.436 3.761 6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.366 5.084 6.125 1.00 0.00 H new ATOM 1092 N ALA A 79 6.548 1.695 3.617 1.00 0.00 N ATOM 1093 CA ALA A 79 5.486 0.830 4.119 1.00 0.00 C ATOM 1094 C ALA A 79 4.667 1.536 5.191 1.00 0.00 C ATOM 1095 O ALA A 79 3.549 1.126 5.502 1.00 0.00 O ATOM 1096 CB ALA A 79 6.070 -0.464 4.664 1.00 0.00 C ATOM 0 H ALA A 79 7.492 1.349 3.790 1.00 0.00 H new ATOM 0 HA ALA A 79 4.822 0.592 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.265 -1.099 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.606 -0.984 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.758 -0.238 5.478 1.00 0.00 H new ATOM 1102 N ALA A 80 5.233 2.599 5.755 1.00 0.00 N ATOM 1103 CA ALA A 80 4.551 3.365 6.789 1.00 0.00 C ATOM 1104 C ALA A 80 3.444 4.223 6.186 1.00 0.00 C ATOM 1105 O ALA A 80 2.483 4.577 6.869 1.00 0.00 O ATOM 1106 CB ALA A 80 5.541 4.235 7.548 1.00 0.00 C ATOM 0 H ALA A 80 6.160 2.948 5.513 1.00 0.00 H new ATOM 0 HA ALA A 80 4.097 2.663 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.014 4.800 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.296 3.603 8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.023 4.926 6.856 1.00 0.00 H new ATOM 1112 N ASN A 81 3.585 4.553 4.905 1.00 0.00 N ATOM 1113 CA ASN A 81 2.587 5.368 4.223 1.00 0.00 C ATOM 1114 C ASN A 81 1.293 4.593 4.043 1.00 0.00 C ATOM 1115 O ASN A 81 0.213 5.176 3.987 1.00 0.00 O ATOM 1116 CB ASN A 81 3.082 5.841 2.848 1.00 0.00 C ATOM 1117 CG ASN A 81 1.988 6.521 2.069 1.00 0.00 C ATOM 1118 OD1 ASN A 81 1.040 7.043 2.654 1.00 0.00 O ATOM 1119 ND2 ASN A 81 2.116 6.534 0.747 1.00 0.00 N ATOM 0 H ASN A 81 4.374 4.271 4.323 1.00 0.00 H new ATOM 0 HA ASN A 81 2.409 6.242 4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.918 6.528 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.456 4.988 2.282 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.409 6.991 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.921 6.087 0.308 1.00 0.00 H new ATOM 1126 N CYS A 82 1.400 3.279 3.960 1.00 0.00 N ATOM 1127 CA CYS A 82 0.227 2.457 3.757 1.00 0.00 C ATOM 1128 C CYS A 82 -0.169 1.730 5.040 1.00 0.00 C ATOM 1129 O CYS A 82 0.419 0.707 5.388 1.00 0.00 O ATOM 1130 CB CYS A 82 0.496 1.440 2.649 1.00 0.00 C ATOM 1131 SG CYS A 82 1.298 2.151 1.177 1.00 0.00 S ATOM 0 H CYS A 82 2.278 2.765 4.029 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.598 3.108 3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.126 0.643 3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.448 0.983 2.352 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.162 2.264 5.740 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.639 1.654 6.976 1.00 0.00 C ATOM 1138 C GLN A 83 -2.895 0.828 6.723 1.00 0.00 C ATOM 1139 O GLN A 83 -3.845 1.296 6.094 1.00 0.00 O ATOM 1140 CB GLN A 83 -1.922 2.733 8.031 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.706 3.090 8.868 1.00 0.00 C ATOM 1142 CD GLN A 83 -1.017 4.103 9.952 1.00 0.00 C ATOM 1143 OE1 GLN A 83 -0.919 5.311 9.735 1.00 0.00 O ATOM 1144 NE2 GLN A 83 -1.394 3.614 11.128 1.00 0.00 N ATOM 0 H GLN A 83 -1.653 3.118 5.474 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.859 0.991 7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.288 3.631 7.533 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.719 2.387 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.307 2.185 9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.073 3.488 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.462 2.605 11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.616 4.247 11.896 1.00 0.00 H new ATOM 1153 N THR A 84 -2.884 -0.408 7.215 1.00 0.00 N ATOM 1154 CA THR A 84 -4.012 -1.320 7.046 1.00 0.00 C ATOM 1155 C THR A 84 -5.329 -0.666 7.471 1.00 0.00 C ATOM 1156 O THR A 84 -5.435 -0.143 8.579 1.00 0.00 O ATOM 1157 CB THR A 84 -3.822 -2.615 7.862 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.428 -2.939 7.952 1.00 0.00 O ATOM 1159 CG2 THR A 84 -4.570 -3.771 7.216 1.00 0.00 C ATOM 0 H THR A 84 -2.102 -0.803 7.737 1.00 0.00 H new ATOM 0 HA THR A 84 -4.052 -1.564 5.984 1.00 0.00 H new ATOM 0 HB THR A 84 -4.223 -2.451 8.862 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.316 -3.761 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.423 -4.675 7.807 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.633 -3.536 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.190 -3.932 6.207 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.357 -0.690 6.594 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.662 -0.095 6.903 1.00 0.00 C ATOM 1169 C PRO A 85 -8.361 -0.805 8.060 1.00 0.00 C ATOM 1170 O PRO A 85 -8.262 -2.024 8.203 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.467 -0.267 5.609 1.00 0.00 C ATOM 1172 CG PRO A 85 -7.765 -1.329 4.833 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.322 -1.285 5.245 1.00 0.00 C ATOM 0 HA PRO A 85 -7.563 0.944 7.217 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.496 -0.555 5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.508 0.666 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.196 -2.308 5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.867 -1.156 3.762 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.880 -2.281 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.728 -0.682 4.558 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.069 -0.034 8.884 1.00 0.00 N ATOM 1182 CA ALA A 86 -9.784 -0.588 10.028 1.00 0.00 C ATOM 1183 C ALA A 86 -11.009 -1.378 9.581 1.00 0.00 C ATOM 1184 O ALA A 86 -11.857 -0.863 8.850 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.193 0.526 10.981 1.00 0.00 C ATOM 0 H ALA A 86 -9.162 0.976 8.779 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.113 -1.272 10.548 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.726 0.100 11.831 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.303 1.047 11.335 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.843 1.230 10.461 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.097 -2.630 10.022 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.224 -3.469 9.657 1.00 0.00 C ATOM 1193 C GLY A 87 -11.907 -4.408 8.507 1.00 0.00 C ATOM 1194 O GLY A 87 -12.659 -5.345 8.240 1.00 0.00 O ATOM 0 H GLY A 87 -10.408 -3.078 10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.532 -4.054 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.068 -2.837 9.382 1.00 0.00 H new ATOM 1198 N LEU A 88 -10.791 -4.153 7.825 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.373 -4.980 6.697 1.00 0.00 C ATOM 1200 C LEU A 88 -10.211 -6.437 7.119 1.00 0.00 C ATOM 1201 O LEU A 88 -11.171 -7.215 6.938 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.055 -4.454 6.121 1.00 0.00 C ATOM 1203 CG LEU A 88 -8.572 -5.152 4.848 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.106 -4.447 3.614 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -7.052 -5.213 4.817 1.00 0.00 C ATOM 1206 OXT LEU A 88 -9.126 -6.789 7.627 1.00 0.00 O ATOM 0 H LEU A 88 -10.161 -3.379 8.035 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.147 -4.929 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.168 -3.390 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.281 -4.548 6.883 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.956 -6.172 4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.751 -4.959 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.196 -4.460 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -8.755 -3.415 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.726 -5.713 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.647 -4.201 4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.692 -5.769 5.683 1.00 0.00 H new TER 1218 LEU A 88