USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 635 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 79 LYS NZ :NH3+ 177:sc= 0.392 (180deg=-0.0151) USER MOD Set 1.2: A 83 SER OG : rot 180:sc= 0.415 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.048 K(o=-0.048,f=-1.6!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0507 USER MOD Single : A 31 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.4) USER MOD Single : A 32 GLN : amide:sc= -0.0096 K(o=-0.0096,f=-0.96) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.295 F(o=-1.2,f=-0.29) USER MOD Single : A 40 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.1!) USER MOD Single : A 41 ASN : amide:sc= -0.389 K(o=-0.39,f=-5.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-9!) USER MOD Single : A 45 GLN :FLIP amide:sc= -4.43! C(o=-6.4!,f=-4.4!) USER MOD Single : A 48 HIS : no HE2:sc= -6.23 K(o=-6.2,f=-8.2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 1.16 K(o=1.2,f=-0.068) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0941 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : A 72 GLN : amide:sc= -0.99 K(o=-0.99,f=-4.2!) USER MOD Single : A 73 MET CE :methyl -146:sc= -1.14 (180deg=-5.74!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -156:sc= 0 (180deg=-0.143) USER MOD Single : A 78 GLN : amide:sc= -0.0062 X(o=-0.0062,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.864 X(o=-0.86,f=-0.85) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.559 22.827 18.371 1.00 0.00 N ATOM 2 CA GLY A 1 -0.928 22.079 19.442 1.00 0.00 C ATOM 3 C GLY A 1 -1.382 20.634 19.486 1.00 0.00 C ATOM 4 O GLY A 1 -0.708 19.748 18.962 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.215 23.809 18.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.324 22.390 17.457 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.591 22.820 18.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.154 22.113 19.316 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.153 22.556 20.396 1.00 0.00 H new ATOM 8 N SER A 2 -2.529 20.395 20.115 1.00 0.00 N ATOM 9 CA SER A 2 -3.070 19.045 20.230 1.00 0.00 C ATOM 10 C SER A 2 -4.301 18.876 19.344 1.00 0.00 C ATOM 11 O SER A 2 -4.748 19.823 18.697 1.00 0.00 O ATOM 12 CB SER A 2 -3.430 18.740 21.685 1.00 0.00 C ATOM 13 OG SER A 2 -3.340 17.351 21.952 1.00 0.00 O ATOM 0 H SER A 2 -3.101 21.118 20.552 1.00 0.00 H new ATOM 0 HA SER A 2 -2.305 18.344 19.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.761 19.286 22.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.441 19.089 21.894 1.00 0.00 H new ATOM 0 HG SER A 2 -3.573 17.182 22.889 1.00 0.00 H new ATOM 19 N SER A 3 -4.844 17.663 19.321 1.00 0.00 N ATOM 20 CA SER A 3 -6.020 17.367 18.513 1.00 0.00 C ATOM 21 C SER A 3 -7.075 18.458 18.669 1.00 0.00 C ATOM 22 O SER A 3 -7.620 18.660 19.753 1.00 0.00 O ATOM 23 CB SER A 3 -6.610 16.012 18.908 1.00 0.00 C ATOM 24 OG SER A 3 -5.929 14.951 18.260 1.00 0.00 O ATOM 0 H SER A 3 -4.488 16.869 19.853 1.00 0.00 H new ATOM 0 HA SER A 3 -5.712 17.330 17.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.544 15.884 19.989 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.668 15.982 18.647 1.00 0.00 H new ATOM 0 HG SER A 3 -6.324 14.096 18.530 1.00 0.00 H new ATOM 30 N GLY A 4 -7.359 19.160 17.576 1.00 0.00 N ATOM 31 CA GLY A 4 -8.347 20.222 17.611 1.00 0.00 C ATOM 32 C GLY A 4 -7.837 21.509 16.994 1.00 0.00 C ATOM 33 O GLY A 4 -7.162 22.298 17.656 1.00 0.00 O ATOM 0 H GLY A 4 -6.922 19.012 16.666 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.243 19.898 17.081 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.639 20.409 18.645 1.00 0.00 H new ATOM 37 N SER A 5 -8.158 21.722 15.722 1.00 0.00 N ATOM 38 CA SER A 5 -7.723 22.920 15.014 1.00 0.00 C ATOM 39 C SER A 5 -8.918 23.681 14.449 1.00 0.00 C ATOM 40 O SER A 5 -9.922 23.084 14.061 1.00 0.00 O ATOM 41 CB SER A 5 -6.760 22.549 13.884 1.00 0.00 C ATOM 42 OG SER A 5 -7.463 22.063 12.754 1.00 0.00 O ATOM 0 H SER A 5 -8.718 21.080 15.161 1.00 0.00 H new ATOM 0 HA SER A 5 -7.207 23.565 15.725 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.171 23.422 13.602 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.059 21.791 14.234 1.00 0.00 H new ATOM 0 HG SER A 5 -6.826 21.835 12.046 1.00 0.00 H new ATOM 48 N SER A 6 -8.802 25.005 14.406 1.00 0.00 N ATOM 49 CA SER A 6 -9.874 25.850 13.892 1.00 0.00 C ATOM 50 C SER A 6 -9.838 25.906 12.368 1.00 0.00 C ATOM 51 O SER A 6 -10.860 25.730 11.705 1.00 0.00 O ATOM 52 CB SER A 6 -9.760 27.262 14.469 1.00 0.00 C ATOM 53 OG SER A 6 -10.324 27.330 15.767 1.00 0.00 O ATOM 0 H SER A 6 -7.977 25.515 14.721 1.00 0.00 H new ATOM 0 HA SER A 6 -10.825 25.416 14.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.712 27.558 14.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.266 27.969 13.812 1.00 0.00 H new ATOM 0 HG SER A 6 -10.237 28.242 16.114 1.00 0.00 H new ATOM 59 N GLY A 7 -8.653 26.153 11.819 1.00 0.00 N ATOM 60 CA GLY A 7 -8.505 26.229 10.377 1.00 0.00 C ATOM 61 C GLY A 7 -7.527 27.306 9.951 1.00 0.00 C ATOM 62 O GLY A 7 -7.677 28.471 10.318 1.00 0.00 O ATOM 0 H GLY A 7 -7.793 26.302 12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.167 25.265 9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.477 26.426 9.925 1.00 0.00 H new ATOM 66 N ALA A 8 -6.522 26.917 9.174 1.00 0.00 N ATOM 67 CA ALA A 8 -5.516 27.858 8.697 1.00 0.00 C ATOM 68 C ALA A 8 -5.265 27.682 7.203 1.00 0.00 C ATOM 69 O ALA A 8 -5.332 26.570 6.679 1.00 0.00 O ATOM 70 CB ALA A 8 -4.220 27.685 9.476 1.00 0.00 C ATOM 0 H ALA A 8 -6.383 25.956 8.861 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.892 28.868 8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.478 28.394 9.109 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.405 27.868 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.848 26.669 9.343 1.00 0.00 H new ATOM 76 N ASP A 9 -4.977 28.787 6.523 1.00 0.00 N ATOM 77 CA ASP A 9 -4.715 28.755 5.089 1.00 0.00 C ATOM 78 C ASP A 9 -3.470 27.929 4.782 1.00 0.00 C ATOM 79 O ASP A 9 -2.350 28.339 5.088 1.00 0.00 O ATOM 80 CB ASP A 9 -4.547 30.176 4.548 1.00 0.00 C ATOM 81 CG ASP A 9 -4.289 30.200 3.054 1.00 0.00 C ATOM 82 OD1 ASP A 9 -5.271 30.211 2.282 1.00 0.00 O ATOM 83 OD2 ASP A 9 -3.106 30.208 2.656 1.00 0.00 O ATOM 0 H ASP A 9 -4.919 29.715 6.942 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.569 28.287 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.445 30.754 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.720 30.663 5.065 1.00 0.00 H new ATOM 88 N ASP A 10 -3.673 26.765 4.175 1.00 0.00 N ATOM 89 CA ASP A 10 -2.567 25.881 3.826 1.00 0.00 C ATOM 90 C ASP A 10 -2.326 25.881 2.320 1.00 0.00 C ATOM 91 O ASP A 10 -3.270 25.871 1.530 1.00 0.00 O ATOM 92 CB ASP A 10 -2.851 24.458 4.310 1.00 0.00 C ATOM 93 CG ASP A 10 -2.384 24.227 5.734 1.00 0.00 C ATOM 94 OD1 ASP A 10 -3.150 24.543 6.668 1.00 0.00 O ATOM 95 OD2 ASP A 10 -1.252 23.730 5.914 1.00 0.00 O ATOM 0 H ASP A 10 -4.594 26.411 3.914 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.668 26.251 4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.921 24.262 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.356 23.747 3.649 1.00 0.00 H new ATOM 100 N PHE A 11 -1.056 25.892 1.929 1.00 0.00 N ATOM 101 CA PHE A 11 -0.690 25.895 0.518 1.00 0.00 C ATOM 102 C PHE A 11 -1.047 24.565 -0.139 1.00 0.00 C ATOM 103 O PHE A 11 -1.990 24.483 -0.926 1.00 0.00 O ATOM 104 CB PHE A 11 0.806 26.171 0.357 1.00 0.00 C ATOM 105 CG PHE A 11 1.395 26.961 1.490 1.00 0.00 C ATOM 106 CD1 PHE A 11 1.856 26.324 2.631 1.00 0.00 C ATOM 107 CD2 PHE A 11 1.487 28.342 1.415 1.00 0.00 C ATOM 108 CE1 PHE A 11 2.399 27.049 3.676 1.00 0.00 C ATOM 109 CE2 PHE A 11 2.029 29.071 2.456 1.00 0.00 C ATOM 110 CZ PHE A 11 2.484 28.424 3.588 1.00 0.00 C ATOM 0 H PHE A 11 -0.263 25.899 2.570 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.253 26.687 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 11 1.335 25.222 0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.969 26.711 -0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.790 25.249 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.131 28.854 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.756 26.540 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.097 30.146 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.906 28.993 4.403 1.00 0.00 H new ATOM 120 N ALA A 12 -0.286 23.526 0.189 1.00 0.00 N ATOM 121 CA ALA A 12 -0.522 22.200 -0.367 1.00 0.00 C ATOM 122 C ALA A 12 -1.180 21.283 0.659 1.00 0.00 C ATOM 123 O ALA A 12 -1.989 20.425 0.309 1.00 0.00 O ATOM 124 CB ALA A 12 0.784 21.594 -0.859 1.00 0.00 C ATOM 0 H ALA A 12 0.500 23.578 0.837 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.203 22.303 -1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.593 20.603 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.213 22.232 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.483 21.511 -0.027 1.00 0.00 H new ATOM 130 N MET A 13 -0.826 21.471 1.926 1.00 0.00 N ATOM 131 CA MET A 13 -1.383 20.660 3.003 1.00 0.00 C ATOM 132 C MET A 13 -2.866 20.389 2.768 1.00 0.00 C ATOM 133 O MET A 13 -3.385 19.346 3.164 1.00 0.00 O ATOM 134 CB MET A 13 -1.188 21.359 4.350 1.00 0.00 C ATOM 135 CG MET A 13 -0.964 20.399 5.506 1.00 0.00 C ATOM 136 SD MET A 13 -2.498 19.674 6.114 1.00 0.00 S ATOM 137 CE MET A 13 -2.322 19.938 7.877 1.00 0.00 C ATOM 0 H MET A 13 -0.157 22.177 2.232 1.00 0.00 H new ATOM 0 HA MET A 13 -0.855 19.707 3.017 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.336 22.035 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 13 -2.064 21.972 4.562 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.292 19.603 5.187 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.468 20.927 6.321 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.196 19.542 8.393 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.427 19.428 8.234 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.235 21.006 8.078 1.00 0.00 H new ATOM 147 N GLU A 14 -3.541 21.335 2.123 1.00 0.00 N ATOM 148 CA GLU A 14 -4.964 21.197 1.837 1.00 0.00 C ATOM 149 C GLU A 14 -5.209 20.092 0.813 1.00 0.00 C ATOM 150 O GLU A 14 -5.856 19.088 1.110 1.00 0.00 O ATOM 151 CB GLU A 14 -5.535 22.520 1.322 1.00 0.00 C ATOM 152 CG GLU A 14 -5.614 23.603 2.385 1.00 0.00 C ATOM 153 CD GLU A 14 -6.759 24.569 2.150 1.00 0.00 C ATOM 154 OE1 GLU A 14 -7.054 24.863 0.972 1.00 0.00 O ATOM 155 OE2 GLU A 14 -7.360 25.031 3.142 1.00 0.00 O ATOM 0 H GLU A 14 -3.126 22.205 1.789 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.470 20.928 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.917 22.876 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.533 22.344 0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.731 23.138 3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.675 24.156 2.405 1.00 0.00 H new ATOM 162 N MET A 15 -4.687 20.286 -0.394 1.00 0.00 N ATOM 163 CA MET A 15 -4.848 19.307 -1.462 1.00 0.00 C ATOM 164 C MET A 15 -4.824 17.887 -0.905 1.00 0.00 C ATOM 165 O MET A 15 -5.550 17.012 -1.377 1.00 0.00 O ATOM 166 CB MET A 15 -3.745 19.476 -2.509 1.00 0.00 C ATOM 167 CG MET A 15 -4.032 20.572 -3.522 1.00 0.00 C ATOM 168 SD MET A 15 -2.892 20.542 -4.918 1.00 0.00 S ATOM 169 CE MET A 15 -1.528 21.500 -4.262 1.00 0.00 C ATOM 0 H MET A 15 -4.149 21.112 -0.656 1.00 0.00 H new ATOM 0 HA MET A 15 -5.816 19.477 -1.934 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.806 19.697 -2.003 1.00 0.00 H new ATOM 0 HB3 MET A 15 -3.608 18.532 -3.036 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.053 20.464 -3.889 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.971 21.542 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.740 21.571 -5.012 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.876 22.500 -4.005 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.137 21.012 -3.369 1.00 0.00 H new ATOM 179 N GLY A 16 -3.983 17.664 0.100 1.00 0.00 N ATOM 180 CA GLY A 16 -3.880 16.348 0.703 1.00 0.00 C ATOM 181 C GLY A 16 -2.878 15.461 -0.008 1.00 0.00 C ATOM 182 O GLY A 16 -3.223 14.378 -0.482 1.00 0.00 O ATOM 0 H GLY A 16 -3.371 18.371 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.590 16.453 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.859 15.868 0.690 1.00 0.00 H new ATOM 186 N LEU A 17 -1.634 15.920 -0.086 1.00 0.00 N ATOM 187 CA LEU A 17 -0.578 15.161 -0.747 1.00 0.00 C ATOM 188 C LEU A 17 0.485 14.721 0.255 1.00 0.00 C ATOM 189 O LEU A 17 1.619 14.423 -0.119 1.00 0.00 O ATOM 190 CB LEU A 17 0.064 16.000 -1.853 1.00 0.00 C ATOM 191 CG LEU A 17 0.354 17.461 -1.505 1.00 0.00 C ATOM 192 CD1 LEU A 17 1.553 17.968 -2.291 1.00 0.00 C ATOM 193 CD2 LEU A 17 -0.868 18.326 -1.775 1.00 0.00 C ATOM 0 H LEU A 17 -1.332 16.814 0.300 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.026 14.271 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.000 15.524 -2.145 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.590 15.978 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 17 0.590 17.522 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.745 19.009 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.428 17.366 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.346 17.893 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.643 19.362 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.135 18.260 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.703 17.977 -1.167 1.00 0.00 H new ATOM 205 N ALA A 18 0.109 14.679 1.529 1.00 0.00 N ATOM 206 CA ALA A 18 1.028 14.271 2.584 1.00 0.00 C ATOM 207 C ALA A 18 0.587 12.956 3.218 1.00 0.00 C ATOM 208 O ALA A 18 -0.602 12.733 3.446 1.00 0.00 O ATOM 209 CB ALA A 18 1.135 15.360 3.642 1.00 0.00 C ATOM 0 H ALA A 18 -0.826 14.923 1.855 1.00 0.00 H new ATOM 0 HA ALA A 18 2.010 14.117 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.825 15.041 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.505 16.277 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.152 15.542 4.077 1.00 0.00 H new ATOM 215 N CYS A 19 1.552 12.088 3.500 1.00 0.00 N ATOM 216 CA CYS A 19 1.264 10.794 4.107 1.00 0.00 C ATOM 217 C CYS A 19 0.540 10.967 5.439 1.00 0.00 C ATOM 218 O CYS A 19 0.281 12.088 5.876 1.00 0.00 O ATOM 219 CB CYS A 19 2.558 10.005 4.315 1.00 0.00 C ATOM 220 SG CYS A 19 3.385 10.341 5.904 1.00 0.00 S ATOM 0 H CYS A 19 2.541 12.257 3.318 1.00 0.00 H new ATOM 0 HA CYS A 19 0.614 10.240 3.430 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.336 8.940 4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.247 10.236 3.503 1.00 0.00 H new ATOM 225 N VAL A 20 0.217 9.848 6.080 1.00 0.00 N ATOM 226 CA VAL A 20 -0.476 9.875 7.363 1.00 0.00 C ATOM 227 C VAL A 20 0.479 9.561 8.509 1.00 0.00 C ATOM 228 O VAL A 20 0.176 9.822 9.673 1.00 0.00 O ATOM 229 CB VAL A 20 -1.643 8.870 7.392 1.00 0.00 C ATOM 230 CG1 VAL A 20 -1.255 7.581 6.684 1.00 0.00 C ATOM 231 CG2 VAL A 20 -2.071 8.593 8.825 1.00 0.00 C ATOM 0 H VAL A 20 0.424 8.912 5.732 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.871 10.883 7.488 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.490 9.307 6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.092 6.883 6.715 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.001 7.798 5.646 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.394 7.137 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.896 7.881 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.231 8.177 9.382 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.392 9.523 9.295 1.00 0.00 H new ATOM 241 N VAL A 21 1.636 9.000 8.172 1.00 0.00 N ATOM 242 CA VAL A 21 2.637 8.651 9.173 1.00 0.00 C ATOM 243 C VAL A 21 3.256 9.901 9.789 1.00 0.00 C ATOM 244 O VAL A 21 2.947 10.265 10.924 1.00 0.00 O ATOM 245 CB VAL A 21 3.756 7.782 8.569 1.00 0.00 C ATOM 246 CG1 VAL A 21 4.833 7.501 9.606 1.00 0.00 C ATOM 247 CG2 VAL A 21 3.184 6.485 8.017 1.00 0.00 C ATOM 0 H VAL A 21 1.903 8.777 7.213 1.00 0.00 H new ATOM 0 HA VAL A 21 2.124 8.082 9.949 1.00 0.00 H new ATOM 0 HB VAL A 21 4.213 8.330 7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.615 6.886 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.263 8.442 9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.394 6.973 10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.989 5.883 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.700 5.930 8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.453 6.711 7.240 1.00 0.00 H new ATOM 257 N CYS A 22 4.131 10.555 9.033 1.00 0.00 N ATOM 258 CA CYS A 22 4.795 11.765 9.504 1.00 0.00 C ATOM 259 C CYS A 22 3.992 13.007 9.128 1.00 0.00 C ATOM 260 O CYS A 22 4.215 14.090 9.669 1.00 0.00 O ATOM 261 CB CYS A 22 6.205 11.859 8.918 1.00 0.00 C ATOM 262 SG CYS A 22 6.246 12.179 7.125 1.00 0.00 S ATOM 0 H CYS A 22 4.397 10.268 8.091 1.00 0.00 H new ATOM 0 HA CYS A 22 4.863 11.713 10.591 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.748 12.653 9.430 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.734 10.928 9.122 1.00 0.00 H new ATOM 267 N ARG A 23 3.058 12.841 8.198 1.00 0.00 N ATOM 268 CA ARG A 23 2.222 13.948 7.748 1.00 0.00 C ATOM 269 C ARG A 23 3.053 14.989 7.003 1.00 0.00 C ATOM 270 O ARG A 23 2.987 16.180 7.303 1.00 0.00 O ATOM 271 CB ARG A 23 1.518 14.601 8.940 1.00 0.00 C ATOM 272 CG ARG A 23 0.742 13.618 9.801 1.00 0.00 C ATOM 273 CD ARG A 23 -0.436 14.289 10.488 1.00 0.00 C ATOM 274 NE ARG A 23 -0.017 15.093 11.633 1.00 0.00 N ATOM 275 CZ ARG A 23 0.441 14.574 12.767 1.00 0.00 C ATOM 276 NH1 ARG A 23 0.540 13.259 12.906 1.00 0.00 N ATOM 277 NH2 ARG A 23 0.803 15.371 13.764 1.00 0.00 N ATOM 0 H ARG A 23 2.861 11.951 7.741 1.00 0.00 H new ATOM 0 HA ARG A 23 1.472 13.549 7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.261 15.105 9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.835 15.367 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.383 12.795 9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.405 13.187 10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.960 14.923 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.144 13.529 10.819 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.079 16.108 11.558 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.264 12.643 12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.892 12.863 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.730 16.383 13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.154 14.972 14.634 1.00 0.00 H new ATOM 291 N GLN A 24 3.835 14.529 6.031 1.00 0.00 N ATOM 292 CA GLN A 24 4.679 15.420 5.244 1.00 0.00 C ATOM 293 C GLN A 24 4.417 15.241 3.752 1.00 0.00 C ATOM 294 O GLN A 24 3.824 14.248 3.331 1.00 0.00 O ATOM 295 CB GLN A 24 6.155 15.160 5.550 1.00 0.00 C ATOM 296 CG GLN A 24 6.552 15.510 6.975 1.00 0.00 C ATOM 297 CD GLN A 24 8.054 15.605 7.155 1.00 0.00 C ATOM 298 OE1 GLN A 24 8.796 15.799 6.191 1.00 0.00 O ATOM 299 NE2 GLN A 24 8.512 15.470 8.394 1.00 0.00 N ATOM 0 H GLN A 24 3.901 13.545 5.770 1.00 0.00 H new ATOM 0 HA GLN A 24 4.434 16.447 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.375 14.108 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 24 6.768 15.738 4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.096 16.460 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.155 14.756 7.654 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.862 15.310 9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.514 15.526 8.576 1.00 0.00 H new ATOM 308 N MET A 25 4.863 16.209 2.958 1.00 0.00 N ATOM 309 CA MET A 25 4.677 16.158 1.513 1.00 0.00 C ATOM 310 C MET A 25 6.019 16.041 0.796 1.00 0.00 C ATOM 311 O MET A 25 6.077 16.008 -0.434 1.00 0.00 O ATOM 312 CB MET A 25 3.933 17.404 1.028 1.00 0.00 C ATOM 313 CG MET A 25 2.688 17.723 1.840 1.00 0.00 C ATOM 314 SD MET A 25 2.241 19.468 1.769 1.00 0.00 S ATOM 315 CE MET A 25 3.074 20.090 3.228 1.00 0.00 C ATOM 0 H MET A 25 5.356 17.038 3.291 1.00 0.00 H new ATOM 0 HA MET A 25 4.082 15.275 1.279 1.00 0.00 H new ATOM 0 HB2 MET A 25 4.609 18.258 1.064 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.651 17.265 -0.016 1.00 0.00 H new ATOM 0 HG2 MET A 25 1.855 17.123 1.472 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.853 17.436 2.879 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.892 21.161 3.322 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.692 19.578 4.111 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.145 19.911 3.139 1.00 0.00 H new ATOM 325 N THR A 26 7.096 15.980 1.572 1.00 0.00 N ATOM 326 CA THR A 26 8.437 15.869 1.012 1.00 0.00 C ATOM 327 C THR A 26 8.688 14.470 0.460 1.00 0.00 C ATOM 328 O THR A 26 8.473 13.472 1.148 1.00 0.00 O ATOM 329 CB THR A 26 9.514 16.194 2.063 1.00 0.00 C ATOM 330 OG1 THR A 26 9.205 17.431 2.715 1.00 0.00 O ATOM 331 CG2 THR A 26 10.889 16.285 1.419 1.00 0.00 C ATOM 0 H THR A 26 7.066 16.006 2.591 1.00 0.00 H new ATOM 0 HA THR A 26 8.501 16.594 0.201 1.00 0.00 H new ATOM 0 HB THR A 26 9.527 15.389 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.894 17.630 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.633 16.515 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.134 15.333 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.886 17.072 0.665 1.00 0.00 H new ATOM 339 N VAL A 27 9.144 14.404 -0.787 1.00 0.00 N ATOM 340 CA VAL A 27 9.426 13.127 -1.431 1.00 0.00 C ATOM 341 C VAL A 27 10.723 13.188 -2.229 1.00 0.00 C ATOM 342 O VAL A 27 11.430 14.196 -2.208 1.00 0.00 O ATOM 343 CB VAL A 27 8.279 12.706 -2.370 1.00 0.00 C ATOM 344 CG1 VAL A 27 7.019 12.408 -1.572 1.00 0.00 C ATOM 345 CG2 VAL A 27 8.019 13.785 -3.410 1.00 0.00 C ATOM 0 H VAL A 27 9.326 15.220 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 27 9.526 12.388 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 27 8.574 11.795 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.219 12.112 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.216 11.598 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.717 13.300 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.206 13.471 -4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.744 14.714 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.920 13.945 -4.002 1.00 0.00 H new ATOM 355 N ALA A 28 11.031 12.104 -2.933 1.00 0.00 N ATOM 356 CA ALA A 28 12.243 12.035 -3.740 1.00 0.00 C ATOM 357 C ALA A 28 12.033 11.160 -4.971 1.00 0.00 C ATOM 358 O ALA A 28 10.925 10.692 -5.231 1.00 0.00 O ATOM 359 CB ALA A 28 13.403 11.508 -2.907 1.00 0.00 C ATOM 0 H ALA A 28 10.458 11.261 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 28 12.482 13.043 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.301 11.462 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 28 13.576 12.174 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 28 13.163 10.510 -2.540 1.00 0.00 H new ATOM 365 N SER A 29 13.105 10.945 -5.727 1.00 0.00 N ATOM 366 CA SER A 29 13.037 10.130 -6.935 1.00 0.00 C ATOM 367 C SER A 29 12.612 8.702 -6.604 1.00 0.00 C ATOM 368 O SER A 29 11.620 8.200 -7.130 1.00 0.00 O ATOM 369 CB SER A 29 14.392 10.119 -7.645 1.00 0.00 C ATOM 370 OG SER A 29 15.434 9.768 -6.751 1.00 0.00 O ATOM 0 H SER A 29 14.030 11.323 -5.525 1.00 0.00 H new ATOM 0 HA SER A 29 12.291 10.568 -7.598 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.366 9.411 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 29 14.590 11.102 -8.072 1.00 0.00 H new ATOM 0 HG SER A 29 16.289 9.767 -7.230 1.00 0.00 H new ATOM 376 N GLY A 30 13.373 8.054 -5.727 1.00 0.00 N ATOM 377 CA GLY A 30 13.060 6.690 -5.340 1.00 0.00 C ATOM 378 C GLY A 30 12.009 6.623 -4.250 1.00 0.00 C ATOM 379 O GLY A 30 11.109 5.786 -4.297 1.00 0.00 O ATOM 0 H GLY A 30 14.200 8.448 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.709 6.139 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.968 6.196 -4.995 1.00 0.00 H new ATOM 383 N ASN A 31 12.123 7.508 -3.264 1.00 0.00 N ATOM 384 CA ASN A 31 11.176 7.544 -2.156 1.00 0.00 C ATOM 385 C ASN A 31 10.011 8.480 -2.466 1.00 0.00 C ATOM 386 O ASN A 31 10.100 9.688 -2.251 1.00 0.00 O ATOM 387 CB ASN A 31 11.877 7.993 -0.872 1.00 0.00 C ATOM 388 CG ASN A 31 12.616 6.858 -0.190 1.00 0.00 C ATOM 389 OD1 ASN A 31 12.680 5.743 -0.709 1.00 0.00 O ATOM 390 ND2 ASN A 31 13.177 7.137 0.981 1.00 0.00 N ATOM 0 H ASN A 31 12.862 8.209 -3.210 1.00 0.00 H new ATOM 0 HA ASN A 31 10.783 6.537 -2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.580 8.792 -1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.140 8.408 -0.185 1.00 0.00 H new ATOM 0 HD21 ASN A 31 13.686 6.413 1.488 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.099 8.075 1.373 1.00 0.00 H new ATOM 397 N GLN A 32 8.922 7.912 -2.973 1.00 0.00 N ATOM 398 CA GLN A 32 7.740 8.695 -3.313 1.00 0.00 C ATOM 399 C GLN A 32 6.601 8.414 -2.338 1.00 0.00 C ATOM 400 O GLN A 32 6.776 7.694 -1.355 1.00 0.00 O ATOM 401 CB GLN A 32 7.291 8.387 -4.743 1.00 0.00 C ATOM 402 CG GLN A 32 8.290 8.825 -5.802 1.00 0.00 C ATOM 403 CD GLN A 32 8.036 10.237 -6.294 1.00 0.00 C ATOM 404 OE1 GLN A 32 7.322 11.011 -5.655 1.00 0.00 O ATOM 405 NE2 GLN A 32 8.619 10.579 -7.437 1.00 0.00 N ATOM 0 H GLN A 32 8.834 6.913 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 32 8.002 9.751 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.120 7.315 -4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.337 8.880 -4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.298 8.762 -5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.245 8.136 -6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.203 9.906 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.483 11.515 -7.819 1.00 0.00 H new ATOM 414 N LEU A 33 5.436 8.987 -2.617 1.00 0.00 N ATOM 415 CA LEU A 33 4.267 8.799 -1.764 1.00 0.00 C ATOM 416 C LEU A 33 3.307 7.783 -2.373 1.00 0.00 C ATOM 417 O LEU A 33 3.368 7.494 -3.569 1.00 0.00 O ATOM 418 CB LEU A 33 3.549 10.132 -1.548 1.00 0.00 C ATOM 419 CG LEU A 33 3.995 10.946 -0.334 1.00 0.00 C ATOM 420 CD1 LEU A 33 3.773 12.431 -0.576 1.00 0.00 C ATOM 421 CD2 LEU A 33 3.255 10.491 0.916 1.00 0.00 C ATOM 0 H LEU A 33 5.275 9.586 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 33 4.607 8.417 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.685 10.744 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.481 9.936 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 33 5.061 10.779 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.096 12.995 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.349 12.748 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.714 12.616 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.586 11.082 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.183 10.627 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.466 9.438 1.100 1.00 0.00 H new ATOM 433 N VAL A 34 2.418 7.244 -1.544 1.00 0.00 N ATOM 434 CA VAL A 34 1.442 6.263 -2.002 1.00 0.00 C ATOM 435 C VAL A 34 0.062 6.548 -1.419 1.00 0.00 C ATOM 436 O VAL A 34 -0.065 7.242 -0.411 1.00 0.00 O ATOM 437 CB VAL A 34 1.863 4.832 -1.619 1.00 0.00 C ATOM 438 CG1 VAL A 34 0.973 3.810 -2.310 1.00 0.00 C ATOM 439 CG2 VAL A 34 3.326 4.597 -1.964 1.00 0.00 C ATOM 0 H VAL A 34 2.354 7.471 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 34 1.398 6.343 -3.088 1.00 0.00 H new ATOM 0 HB VAL A 34 1.743 4.713 -0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.286 2.805 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.063 3.966 -2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.057 3.926 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.607 3.581 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.474 4.735 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.947 5.307 -1.418 1.00 0.00 H new ATOM 449 N GLU A 35 -0.969 6.006 -2.061 1.00 0.00 N ATOM 450 CA GLU A 35 -2.340 6.203 -1.606 1.00 0.00 C ATOM 451 C GLU A 35 -3.112 4.887 -1.619 1.00 0.00 C ATOM 452 O GLU A 35 -3.161 4.193 -2.635 1.00 0.00 O ATOM 453 CB GLU A 35 -3.050 7.233 -2.488 1.00 0.00 C ATOM 454 CG GLU A 35 -4.401 7.669 -1.946 1.00 0.00 C ATOM 455 CD GLU A 35 -4.943 8.898 -2.650 1.00 0.00 C ATOM 456 OE1 GLU A 35 -4.919 8.926 -3.898 1.00 0.00 O ATOM 457 OE2 GLU A 35 -5.390 9.832 -1.952 1.00 0.00 O ATOM 0 H GLU A 35 -0.880 5.428 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.306 6.574 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.411 8.109 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.186 6.814 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.113 6.850 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.311 7.876 -0.880 1.00 0.00 H new ATOM 464 N CYS A 36 -3.713 4.549 -0.483 1.00 0.00 N ATOM 465 CA CYS A 36 -4.482 3.316 -0.362 1.00 0.00 C ATOM 466 C CYS A 36 -5.785 3.408 -1.150 1.00 0.00 C ATOM 467 O CYS A 36 -6.231 4.499 -1.505 1.00 0.00 O ATOM 468 CB CYS A 36 -4.782 3.021 1.109 1.00 0.00 C ATOM 469 SG CYS A 36 -5.780 1.521 1.378 1.00 0.00 S ATOM 0 H CYS A 36 -3.682 5.112 0.367 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.886 2.502 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.840 2.919 1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.305 3.875 1.540 1.00 0.00 H new ATOM 474 N GLN A 37 -6.389 2.256 -1.420 1.00 0.00 N ATOM 475 CA GLN A 37 -7.641 2.206 -2.166 1.00 0.00 C ATOM 476 C GLN A 37 -8.832 2.069 -1.224 1.00 0.00 C ATOM 477 O GLN A 37 -9.907 2.608 -1.485 1.00 0.00 O ATOM 478 CB GLN A 37 -7.623 1.041 -3.157 1.00 0.00 C ATOM 479 CG GLN A 37 -6.568 1.182 -4.243 1.00 0.00 C ATOM 480 CD GLN A 37 -6.543 2.568 -4.856 1.00 0.00 C ATOM 481 OE1 GLN A 37 -5.737 3.454 -4.283 1.00 0.00 O flip ATOM 482 NE2 GLN A 37 -7.242 2.840 -5.833 1.00 0.00 N flip ATOM 0 H GLN A 37 -6.032 1.344 -1.133 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.743 3.141 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.449 0.114 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.604 0.957 -3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.588 0.957 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.756 0.446 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.847 2.128 -6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.216 3.778 -6.234 1.00 0.00 H new ATOM 491 N GLU A 38 -8.632 1.345 -0.127 1.00 0.00 N ATOM 492 CA GLU A 38 -9.692 1.136 0.853 1.00 0.00 C ATOM 493 C GLU A 38 -9.821 2.343 1.778 1.00 0.00 C ATOM 494 O GLU A 38 -10.813 3.071 1.732 1.00 0.00 O ATOM 495 CB GLU A 38 -9.415 -0.124 1.676 1.00 0.00 C ATOM 496 CG GLU A 38 -10.668 -0.765 2.248 1.00 0.00 C ATOM 497 CD GLU A 38 -11.206 -0.020 3.454 1.00 0.00 C ATOM 498 OE1 GLU A 38 -10.771 -0.328 4.583 1.00 0.00 O ATOM 499 OE2 GLU A 38 -12.063 0.870 3.269 1.00 0.00 O ATOM 0 H GLU A 38 -7.747 0.894 0.105 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.631 1.010 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.899 -0.851 1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.740 0.128 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.437 -0.803 1.476 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.448 -1.795 2.530 1.00 0.00 H new ATOM 506 N CYS A 39 -8.813 2.548 2.619 1.00 0.00 N ATOM 507 CA CYS A 39 -8.812 3.665 3.556 1.00 0.00 C ATOM 508 C CYS A 39 -8.587 4.987 2.827 1.00 0.00 C ATOM 509 O CYS A 39 -8.989 6.048 3.305 1.00 0.00 O ATOM 510 CB CYS A 39 -7.731 3.465 4.619 1.00 0.00 C ATOM 511 SG CYS A 39 -7.421 1.721 5.046 1.00 0.00 S ATOM 0 H CYS A 39 -7.985 1.954 2.671 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.787 3.700 4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.802 3.912 4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.020 4.003 5.522 1.00 0.00 H new ATOM 516 N HIS A 40 -7.941 4.914 1.668 1.00 0.00 N ATOM 517 CA HIS A 40 -7.662 6.104 0.872 1.00 0.00 C ATOM 518 C HIS A 40 -6.742 7.059 1.627 1.00 0.00 C ATOM 519 O HIS A 40 -6.910 8.276 1.566 1.00 0.00 O ATOM 520 CB HIS A 40 -8.965 6.816 0.507 1.00 0.00 C ATOM 521 CG HIS A 40 -9.674 6.203 -0.661 1.00 0.00 C ATOM 522 ND1 HIS A 40 -9.511 6.645 -1.957 1.00 0.00 N ATOM 523 CD2 HIS A 40 -10.553 5.175 -0.724 1.00 0.00 C ATOM 524 CE1 HIS A 40 -10.260 5.916 -2.766 1.00 0.00 C ATOM 525 NE2 HIS A 40 -10.902 5.017 -2.042 1.00 0.00 N ATOM 0 H HIS A 40 -7.601 4.044 1.259 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.159 5.790 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.629 6.806 1.371 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.749 7.861 0.283 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.913 4.588 0.108 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.334 6.035 -3.837 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.552 4.319 -2.404 1.00 0.00 H new ATOM 534 N ASN A 41 -5.770 6.498 2.339 1.00 0.00 N ATOM 535 CA ASN A 41 -4.824 7.299 3.107 1.00 0.00 C ATOM 536 C ASN A 41 -3.460 7.334 2.424 1.00 0.00 C ATOM 537 O ASN A 41 -3.071 6.384 1.743 1.00 0.00 O ATOM 538 CB ASN A 41 -4.683 6.741 4.524 1.00 0.00 C ATOM 539 CG ASN A 41 -5.926 6.973 5.363 1.00 0.00 C ATOM 540 OD1 ASN A 41 -6.870 6.184 5.324 1.00 0.00 O ATOM 541 ND2 ASN A 41 -5.930 8.059 6.126 1.00 0.00 N ATOM 0 H ASN A 41 -5.617 5.491 2.400 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.209 8.317 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.477 5.672 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.827 7.207 5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.738 8.268 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.125 8.685 6.126 1.00 0.00 H new ATOM 548 N LEU A 42 -2.738 8.433 2.612 1.00 0.00 N ATOM 549 CA LEU A 42 -1.416 8.591 2.015 1.00 0.00 C ATOM 550 C LEU A 42 -0.342 7.963 2.897 1.00 0.00 C ATOM 551 O LEU A 42 -0.299 8.199 4.105 1.00 0.00 O ATOM 552 CB LEU A 42 -1.109 10.074 1.795 1.00 0.00 C ATOM 553 CG LEU A 42 -1.922 10.773 0.705 1.00 0.00 C ATOM 554 CD1 LEU A 42 -1.523 12.236 0.597 1.00 0.00 C ATOM 555 CD2 LEU A 42 -1.739 10.068 -0.631 1.00 0.00 C ATOM 0 H LEU A 42 -3.045 9.228 3.173 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.415 8.079 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.270 10.601 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.051 10.173 1.551 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.976 10.725 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.112 12.717 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.706 12.734 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.464 12.307 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.325 10.579 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.685 10.085 -0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.076 9.035 -0.546 1.00 0.00 H new ATOM 567 N TYR A 43 0.525 7.164 2.285 1.00 0.00 N ATOM 568 CA TYR A 43 1.600 6.502 3.014 1.00 0.00 C ATOM 569 C TYR A 43 2.914 6.586 2.244 1.00 0.00 C ATOM 570 O TYR A 43 3.040 6.042 1.146 1.00 0.00 O ATOM 571 CB TYR A 43 1.242 5.037 3.274 1.00 0.00 C ATOM 572 CG TYR A 43 0.368 4.834 4.491 1.00 0.00 C ATOM 573 CD1 TYR A 43 0.926 4.722 5.759 1.00 0.00 C ATOM 574 CD2 TYR A 43 -1.014 4.753 4.373 1.00 0.00 C ATOM 575 CE1 TYR A 43 0.132 4.536 6.874 1.00 0.00 C ATOM 576 CE2 TYR A 43 -1.815 4.569 5.483 1.00 0.00 C ATOM 577 CZ TYR A 43 -1.238 4.460 6.731 1.00 0.00 C ATOM 578 OH TYR A 43 -2.033 4.275 7.839 1.00 0.00 O ATOM 0 H TYR A 43 0.504 6.959 1.286 1.00 0.00 H new ATOM 0 HA TYR A 43 1.726 7.014 3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.731 4.636 2.399 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.161 4.464 3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.998 4.781 5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.469 4.835 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.581 4.451 7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.888 4.511 5.374 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.974 4.245 7.565 1.00 0.00 H new ATOM 588 N HIS A 44 3.891 7.273 2.827 1.00 0.00 N ATOM 589 CA HIS A 44 5.198 7.429 2.197 1.00 0.00 C ATOM 590 C HIS A 44 5.854 6.072 1.964 1.00 0.00 C ATOM 591 O HIS A 44 6.001 5.276 2.892 1.00 0.00 O ATOM 592 CB HIS A 44 6.104 8.305 3.063 1.00 0.00 C ATOM 593 CG HIS A 44 6.124 9.743 2.645 1.00 0.00 C ATOM 594 ND1 HIS A 44 5.633 10.763 3.432 1.00 0.00 N ATOM 595 CD2 HIS A 44 6.581 10.330 1.514 1.00 0.00 C ATOM 596 CE1 HIS A 44 5.786 11.915 2.803 1.00 0.00 C ATOM 597 NE2 HIS A 44 6.360 11.679 1.637 1.00 0.00 N ATOM 0 H HIS A 44 3.803 7.731 3.734 1.00 0.00 H new ATOM 0 HA HIS A 44 5.053 7.913 1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 44 5.774 8.241 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 44 7.119 7.910 3.027 1.00 0.00 H new ATOM 0 HD1 HIS A 44 5.217 10.647 4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 44 7.035 9.830 0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.492 12.884 3.178 1.00 0.00 H new ATOM 605 N GLN A 45 6.246 5.815 0.721 1.00 0.00 N ATOM 606 CA GLN A 45 6.886 4.553 0.367 1.00 0.00 C ATOM 607 C GLN A 45 7.765 4.050 1.507 1.00 0.00 C ATOM 608 O GLN A 45 7.919 2.844 1.699 1.00 0.00 O ATOM 609 CB GLN A 45 7.722 4.719 -0.903 1.00 0.00 C ATOM 610 CG GLN A 45 6.892 4.770 -2.176 1.00 0.00 C ATOM 611 CD GLN A 45 7.741 4.956 -3.418 1.00 0.00 C ATOM 612 OE1 GLN A 45 7.087 5.097 -4.566 1.00 0.00 O flip ATOM 613 NE2 GLN A 45 8.970 4.972 -3.348 1.00 0.00 N flip ATOM 0 H GLN A 45 6.132 6.463 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 45 6.103 3.817 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.309 5.634 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.429 3.892 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.317 3.848 -2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.174 5.587 -2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.431 4.860 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.527 5.097 -4.193 1.00 0.00 H new ATOM 622 N ASP A 46 8.339 4.982 2.260 1.00 0.00 N ATOM 623 CA ASP A 46 9.203 4.633 3.382 1.00 0.00 C ATOM 624 C ASP A 46 8.398 4.524 4.673 1.00 0.00 C ATOM 625 O ASP A 46 8.284 3.445 5.257 1.00 0.00 O ATOM 626 CB ASP A 46 10.311 5.674 3.543 1.00 0.00 C ATOM 627 CG ASP A 46 11.209 5.385 4.730 1.00 0.00 C ATOM 628 OD1 ASP A 46 10.742 4.721 5.679 1.00 0.00 O ATOM 629 OD2 ASP A 46 12.378 5.825 4.711 1.00 0.00 O ATOM 0 H ASP A 46 8.222 5.985 2.114 1.00 0.00 H new ATOM 0 HA ASP A 46 9.655 3.663 3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.913 5.703 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.864 6.661 3.661 1.00 0.00 H new ATOM 634 N CYS A 47 7.844 5.647 5.116 1.00 0.00 N ATOM 635 CA CYS A 47 7.051 5.680 6.339 1.00 0.00 C ATOM 636 C CYS A 47 6.264 4.384 6.511 1.00 0.00 C ATOM 637 O CYS A 47 6.147 3.859 7.619 1.00 0.00 O ATOM 638 CB CYS A 47 6.093 6.872 6.319 1.00 0.00 C ATOM 639 SG CYS A 47 6.922 8.493 6.405 1.00 0.00 S ATOM 0 H CYS A 47 7.930 6.548 4.645 1.00 0.00 H new ATOM 0 HA CYS A 47 7.733 5.786 7.182 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.495 6.829 5.408 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.403 6.784 7.158 1.00 0.00 H new ATOM 644 N HIS A 48 5.727 3.873 5.408 1.00 0.00 N ATOM 645 CA HIS A 48 4.951 2.638 5.436 1.00 0.00 C ATOM 646 C HIS A 48 5.817 1.463 5.878 1.00 0.00 C ATOM 647 O HIS A 48 7.042 1.498 5.752 1.00 0.00 O ATOM 648 CB HIS A 48 4.352 2.355 4.059 1.00 0.00 C ATOM 649 CG HIS A 48 3.059 1.601 4.111 1.00 0.00 C ATOM 650 ND1 HIS A 48 2.790 0.512 3.309 1.00 0.00 N ATOM 651 CD2 HIS A 48 1.958 1.783 4.877 1.00 0.00 C ATOM 652 CE1 HIS A 48 1.580 0.058 3.578 1.00 0.00 C ATOM 653 NE2 HIS A 48 1.053 0.811 4.527 1.00 0.00 N ATOM 0 H HIS A 48 5.815 4.295 4.483 1.00 0.00 H new ATOM 0 HA HIS A 48 4.142 2.763 6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.191 3.300 3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.071 1.787 3.469 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.427 0.119 2.616 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.817 2.550 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.102 -0.786 3.103 1.00 0.00 H new ATOM 662 N LYS A 49 5.174 0.422 6.398 1.00 0.00 N ATOM 663 CA LYS A 49 5.885 -0.765 6.859 1.00 0.00 C ATOM 664 C LYS A 49 6.622 -1.439 5.706 1.00 0.00 C ATOM 665 O LYS A 49 7.852 -1.452 5.647 1.00 0.00 O ATOM 666 CB LYS A 49 4.908 -1.752 7.500 1.00 0.00 C ATOM 667 CG LYS A 49 4.838 -1.643 9.013 1.00 0.00 C ATOM 668 CD LYS A 49 4.443 -2.964 9.651 1.00 0.00 C ATOM 669 CE LYS A 49 3.961 -2.772 11.080 1.00 0.00 C ATOM 670 NZ LYS A 49 3.959 -4.051 11.842 1.00 0.00 N ATOM 0 H LYS A 49 4.161 0.377 6.511 1.00 0.00 H new ATOM 0 HA LYS A 49 6.618 -0.454 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.913 -1.586 7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.201 -2.767 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.806 -1.326 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.117 -0.874 9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.656 -3.433 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.296 -3.643 9.642 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.602 -2.049 11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.955 -2.354 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.624 -3.877 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.328 -4.733 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.924 -4.438 11.873 1.00 0.00 H new ATOM 684 N PRO A 50 5.855 -2.012 4.766 1.00 0.00 N ATOM 685 CA PRO A 50 6.415 -2.697 3.597 1.00 0.00 C ATOM 686 C PRO A 50 7.066 -1.729 2.615 1.00 0.00 C ATOM 687 O PRO A 50 6.383 -0.936 1.967 1.00 0.00 O ATOM 688 CB PRO A 50 5.194 -3.365 2.960 1.00 0.00 C ATOM 689 CG PRO A 50 4.037 -2.536 3.398 1.00 0.00 C ATOM 690 CD PRO A 50 4.383 -2.035 4.773 1.00 0.00 C ATOM 0 HA PRO A 50 7.205 -3.396 3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.277 -3.387 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.089 -4.398 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.869 -1.706 2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.120 -3.125 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.966 -1.045 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.995 -2.693 5.550 1.00 0.00 H new ATOM 698 N GLN A 51 8.389 -1.800 2.510 1.00 0.00 N ATOM 699 CA GLN A 51 9.131 -0.929 1.606 1.00 0.00 C ATOM 700 C GLN A 51 8.486 -0.903 0.224 1.00 0.00 C ATOM 701 O GLN A 51 8.651 -1.831 -0.567 1.00 0.00 O ATOM 702 CB GLN A 51 10.584 -1.394 1.495 1.00 0.00 C ATOM 703 CG GLN A 51 11.491 -0.816 2.569 1.00 0.00 C ATOM 704 CD GLN A 51 12.707 -1.682 2.834 1.00 0.00 C ATOM 705 OE1 GLN A 51 13.660 -1.689 2.054 1.00 0.00 O ATOM 706 NE2 GLN A 51 12.681 -2.418 3.938 1.00 0.00 N ATOM 0 H GLN A 51 8.969 -2.451 3.039 1.00 0.00 H new ATOM 0 HA GLN A 51 9.110 0.081 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.614 -2.482 1.553 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.972 -1.116 0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.817 0.179 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.925 -0.699 3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.871 -2.381 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.471 -3.020 4.168 1.00 0.00 H new ATOM 715 N VAL A 52 7.750 0.168 -0.059 1.00 0.00 N ATOM 716 CA VAL A 52 7.081 0.316 -1.346 1.00 0.00 C ATOM 717 C VAL A 52 8.045 0.827 -2.411 1.00 0.00 C ATOM 718 O VAL A 52 8.844 1.730 -2.160 1.00 0.00 O ATOM 719 CB VAL A 52 5.883 1.279 -1.248 1.00 0.00 C ATOM 720 CG1 VAL A 52 5.119 1.316 -2.562 1.00 0.00 C ATOM 721 CG2 VAL A 52 4.969 0.877 -0.101 1.00 0.00 C ATOM 0 H VAL A 52 7.602 0.945 0.585 1.00 0.00 H new ATOM 0 HA VAL A 52 6.721 -0.672 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 52 6.260 2.282 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.276 2.002 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.781 1.656 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.751 0.317 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.128 1.568 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.598 -0.134 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.525 0.908 0.836 1.00 0.00 H new ATOM 731 N THR A 53 7.964 0.245 -3.604 1.00 0.00 N ATOM 732 CA THR A 53 8.829 0.640 -4.708 1.00 0.00 C ATOM 733 C THR A 53 8.173 1.720 -5.560 1.00 0.00 C ATOM 734 O THR A 53 7.091 2.209 -5.235 1.00 0.00 O ATOM 735 CB THR A 53 9.181 -0.562 -5.604 1.00 0.00 C ATOM 736 OG1 THR A 53 7.987 -1.130 -6.154 1.00 0.00 O ATOM 737 CG2 THR A 53 9.936 -1.622 -4.816 1.00 0.00 C ATOM 0 H THR A 53 7.307 -0.502 -3.830 1.00 0.00 H new ATOM 0 HA THR A 53 9.744 1.035 -4.267 1.00 0.00 H new ATOM 0 HB THR A 53 9.821 -0.209 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.220 -1.893 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.174 -2.461 -5.470 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.859 -1.195 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.317 -1.970 -3.989 1.00 0.00 H new ATOM 745 N ASP A 54 8.833 2.087 -6.653 1.00 0.00 N ATOM 746 CA ASP A 54 8.313 3.109 -7.554 1.00 0.00 C ATOM 747 C ASP A 54 7.372 2.495 -8.586 1.00 0.00 C ATOM 748 O ASP A 54 6.362 3.094 -8.955 1.00 0.00 O ATOM 749 CB ASP A 54 9.462 3.831 -8.259 1.00 0.00 C ATOM 750 CG ASP A 54 10.124 4.869 -7.373 1.00 0.00 C ATOM 751 OD1 ASP A 54 10.532 4.515 -6.246 1.00 0.00 O ATOM 752 OD2 ASP A 54 10.236 6.034 -7.806 1.00 0.00 O ATOM 0 H ASP A 54 9.730 1.692 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 54 7.752 3.830 -6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.206 3.100 -8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.085 4.314 -9.160 1.00 0.00 H new ATOM 757 N LYS A 55 7.712 1.298 -9.050 1.00 0.00 N ATOM 758 CA LYS A 55 6.899 0.601 -10.040 1.00 0.00 C ATOM 759 C LYS A 55 5.513 0.288 -9.483 1.00 0.00 C ATOM 760 O LYS A 55 4.511 0.414 -10.185 1.00 0.00 O ATOM 761 CB LYS A 55 7.588 -0.693 -10.477 1.00 0.00 C ATOM 762 CG LYS A 55 8.453 -0.533 -11.715 1.00 0.00 C ATOM 763 CD LYS A 55 8.513 -1.818 -12.524 1.00 0.00 C ATOM 764 CE LYS A 55 9.445 -1.683 -13.718 1.00 0.00 C ATOM 765 NZ LYS A 55 8.735 -1.166 -14.920 1.00 0.00 N ATOM 0 H LYS A 55 8.546 0.789 -8.756 1.00 0.00 H new ATOM 0 HA LYS A 55 6.785 1.255 -10.905 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.206 -1.061 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.829 -1.452 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.056 0.270 -12.336 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.461 -0.240 -11.420 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.853 -2.635 -11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.513 -2.078 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.265 -1.012 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.886 -2.653 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.405 -1.088 -15.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.968 -1.819 -15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.336 -0.229 -14.711 1.00 0.00 H new ATOM 779 N GLU A 56 5.466 -0.117 -8.218 1.00 0.00 N ATOM 780 CA GLU A 56 4.203 -0.447 -7.569 1.00 0.00 C ATOM 781 C GLU A 56 3.246 0.741 -7.607 1.00 0.00 C ATOM 782 O GLU A 56 2.069 0.594 -7.939 1.00 0.00 O ATOM 783 CB GLU A 56 4.445 -0.874 -6.119 1.00 0.00 C ATOM 784 CG GLU A 56 4.719 -2.360 -5.961 1.00 0.00 C ATOM 785 CD GLU A 56 4.329 -2.882 -4.591 1.00 0.00 C ATOM 786 OE1 GLU A 56 3.127 -3.136 -4.373 1.00 0.00 O ATOM 787 OE2 GLU A 56 5.228 -3.036 -3.738 1.00 0.00 O ATOM 0 H GLU A 56 6.287 -0.224 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 56 3.750 -1.275 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.290 -0.313 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.574 -0.608 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.170 -2.910 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.779 -2.550 -6.130 1.00 0.00 H new ATOM 794 N VAL A 57 3.759 1.918 -7.265 1.00 0.00 N ATOM 795 CA VAL A 57 2.951 3.132 -7.260 1.00 0.00 C ATOM 796 C VAL A 57 2.622 3.578 -8.680 1.00 0.00 C ATOM 797 O VAL A 57 1.594 4.211 -8.920 1.00 0.00 O ATOM 798 CB VAL A 57 3.668 4.281 -6.526 1.00 0.00 C ATOM 799 CG1 VAL A 57 4.041 3.861 -5.113 1.00 0.00 C ATOM 800 CG2 VAL A 57 4.899 4.722 -7.302 1.00 0.00 C ATOM 0 H VAL A 57 4.731 2.057 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 57 2.027 2.895 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 57 2.986 5.128 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.547 4.685 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.138 3.598 -4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.706 2.998 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.393 5.534 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.587 3.882 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.601 5.066 -8.292 1.00 0.00 H new ATOM 810 N ASN A 58 3.501 3.244 -9.619 1.00 0.00 N ATOM 811 CA ASN A 58 3.304 3.610 -11.017 1.00 0.00 C ATOM 812 C ASN A 58 2.211 2.757 -11.653 1.00 0.00 C ATOM 813 O ASN A 58 1.327 3.273 -12.338 1.00 0.00 O ATOM 814 CB ASN A 58 4.610 3.450 -11.797 1.00 0.00 C ATOM 815 CG ASN A 58 5.403 4.741 -11.868 1.00 0.00 C ATOM 816 OD1 ASN A 58 5.428 5.410 -12.901 1.00 0.00 O ATOM 817 ND2 ASN A 58 6.055 5.096 -10.767 1.00 0.00 N ATOM 0 H ASN A 58 4.357 2.720 -9.437 1.00 0.00 H new ATOM 0 HA ASN A 58 2.993 4.654 -11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.219 2.678 -11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.387 3.108 -12.808 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.605 5.955 -10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.005 4.510 -9.934 1.00 0.00 H new ATOM 824 N ASP A 59 2.277 1.451 -11.422 1.00 0.00 N ATOM 825 CA ASP A 59 1.293 0.526 -11.972 1.00 0.00 C ATOM 826 C ASP A 59 -0.125 1.028 -11.716 1.00 0.00 C ATOM 827 O ASP A 59 -0.629 0.996 -10.593 1.00 0.00 O ATOM 828 CB ASP A 59 1.472 -0.865 -11.362 1.00 0.00 C ATOM 829 CG ASP A 59 0.702 -1.931 -12.115 1.00 0.00 C ATOM 830 OD1 ASP A 59 -0.394 -1.621 -12.629 1.00 0.00 O ATOM 831 OD2 ASP A 59 1.194 -3.076 -12.193 1.00 0.00 O ATOM 0 H ASP A 59 3.002 1.008 -10.857 1.00 0.00 H new ATOM 0 HA ASP A 59 1.450 0.465 -13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.531 -1.122 -11.356 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.142 -0.848 -10.323 1.00 0.00 H new ATOM 836 N PRO A 60 -0.786 1.503 -12.782 1.00 0.00 N ATOM 837 CA PRO A 60 -2.155 2.021 -12.699 1.00 0.00 C ATOM 838 C PRO A 60 -3.176 0.920 -12.434 1.00 0.00 C ATOM 839 O PRO A 60 -4.211 1.157 -11.812 1.00 0.00 O ATOM 840 CB PRO A 60 -2.384 2.642 -14.079 1.00 0.00 C ATOM 841 CG PRO A 60 -1.454 1.910 -14.983 1.00 0.00 C ATOM 842 CD PRO A 60 -0.248 1.571 -14.151 1.00 0.00 C ATOM 0 HA PRO A 60 -2.275 2.724 -11.875 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.420 2.526 -14.398 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.170 3.711 -14.073 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.922 1.008 -15.377 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.177 2.525 -15.839 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.197 0.624 -14.455 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.528 2.331 -14.240 1.00 0.00 H new ATOM 850 N ARG A 61 -2.878 -0.284 -12.911 1.00 0.00 N ATOM 851 CA ARG A 61 -3.771 -1.422 -12.727 1.00 0.00 C ATOM 852 C ARG A 61 -3.423 -2.185 -11.452 1.00 0.00 C ATOM 853 O ARG A 61 -3.725 -3.372 -11.325 1.00 0.00 O ATOM 854 CB ARG A 61 -3.694 -2.359 -13.933 1.00 0.00 C ATOM 855 CG ARG A 61 -3.949 -1.666 -15.261 1.00 0.00 C ATOM 856 CD ARG A 61 -5.340 -1.052 -15.310 1.00 0.00 C ATOM 857 NE ARG A 61 -5.714 -0.652 -16.664 1.00 0.00 N ATOM 858 CZ ARG A 61 -6.911 -0.173 -16.985 1.00 0.00 C ATOM 859 NH1 ARG A 61 -7.844 -0.035 -16.053 1.00 0.00 N ATOM 860 NH2 ARG A 61 -7.176 0.169 -18.239 1.00 0.00 N ATOM 0 H ARG A 61 -2.025 -0.497 -13.428 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.789 -1.042 -12.636 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.708 -2.824 -13.959 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.421 -3.161 -13.806 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.201 -0.889 -15.417 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.838 -2.383 -16.074 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.067 -1.770 -14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.376 -0.184 -14.652 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.018 -0.746 -17.404 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.643 -0.297 -15.088 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.762 0.333 -16.301 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.460 0.064 -18.958 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.095 0.537 -18.484 1.00 0.00 H new ATOM 874 N LEU A 62 -2.786 -1.496 -10.512 1.00 0.00 N ATOM 875 CA LEU A 62 -2.396 -2.109 -9.247 1.00 0.00 C ATOM 876 C LEU A 62 -3.135 -1.464 -8.078 1.00 0.00 C ATOM 877 O LEU A 62 -3.187 -0.240 -7.963 1.00 0.00 O ATOM 878 CB LEU A 62 -0.885 -1.983 -9.041 1.00 0.00 C ATOM 879 CG LEU A 62 -0.377 -2.238 -7.621 1.00 0.00 C ATOM 880 CD1 LEU A 62 -0.670 -3.669 -7.199 1.00 0.00 C ATOM 881 CD2 LEU A 62 1.113 -1.947 -7.528 1.00 0.00 C ATOM 0 H LEU A 62 -2.529 -0.513 -10.602 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.665 -3.165 -9.285 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.387 -2.681 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.580 -0.980 -9.340 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.901 -1.566 -6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.302 -3.832 -6.186 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.746 -3.843 -7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.173 -4.359 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.457 -2.134 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.654 -2.594 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.297 -0.905 -7.788 1.00 0.00 H new ATOM 893 N VAL A 63 -3.704 -2.297 -7.213 1.00 0.00 N ATOM 894 CA VAL A 63 -4.437 -1.809 -6.051 1.00 0.00 C ATOM 895 C VAL A 63 -3.571 -1.852 -4.797 1.00 0.00 C ATOM 896 O VAL A 63 -3.356 -2.915 -4.215 1.00 0.00 O ATOM 897 CB VAL A 63 -5.715 -2.633 -5.807 1.00 0.00 C ATOM 898 CG1 VAL A 63 -5.368 -4.083 -5.510 1.00 0.00 C ATOM 899 CG2 VAL A 63 -6.531 -2.028 -4.674 1.00 0.00 C ATOM 0 H VAL A 63 -3.672 -3.313 -7.295 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.714 -0.776 -6.263 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.320 -2.608 -6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.284 -4.649 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.830 -4.509 -6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.741 -4.132 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.430 -2.623 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.936 -2.020 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.812 -1.007 -4.933 1.00 0.00 H new ATOM 909 N TRP A 64 -3.078 -0.689 -4.385 1.00 0.00 N ATOM 910 CA TRP A 64 -2.235 -0.594 -3.199 1.00 0.00 C ATOM 911 C TRP A 64 -3.083 -0.549 -1.932 1.00 0.00 C ATOM 912 O TRP A 64 -4.187 -0.005 -1.932 1.00 0.00 O ATOM 913 CB TRP A 64 -1.347 0.649 -3.278 1.00 0.00 C ATOM 914 CG TRP A 64 -0.187 0.610 -2.330 1.00 0.00 C ATOM 915 CD1 TRP A 64 0.987 -0.067 -2.499 1.00 0.00 C ATOM 916 CD2 TRP A 64 -0.090 1.276 -1.066 1.00 0.00 C ATOM 917 NE1 TRP A 64 1.808 0.138 -1.416 1.00 0.00 N ATOM 918 CE2 TRP A 64 1.171 0.958 -0.524 1.00 0.00 C ATOM 919 CE3 TRP A 64 -0.944 2.110 -0.341 1.00 0.00 C ATOM 920 CZ2 TRP A 64 1.595 1.446 0.710 1.00 0.00 C ATOM 921 CZ3 TRP A 64 -0.522 2.593 0.884 1.00 0.00 C ATOM 922 CH2 TRP A 64 0.738 2.261 1.399 1.00 0.00 C ATOM 0 H TRP A 64 -3.248 0.200 -4.855 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.603 -1.481 -3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.972 0.755 -4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.950 1.532 -3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.234 -0.674 -3.357 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.741 -0.257 -1.296 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.917 2.373 -0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.566 1.190 1.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.175 3.237 1.454 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.039 2.656 2.358 1.00 0.00 H new ATOM 933 N TYR A 65 -2.559 -1.123 -0.855 1.00 0.00 N ATOM 934 CA TYR A 65 -3.269 -1.150 0.419 1.00 0.00 C ATOM 935 C TYR A 65 -2.322 -0.853 1.577 1.00 0.00 C ATOM 936 O TYR A 65 -1.123 -1.127 1.501 1.00 0.00 O ATOM 937 CB TYR A 65 -3.935 -2.511 0.626 1.00 0.00 C ATOM 938 CG TYR A 65 -5.191 -2.702 -0.193 1.00 0.00 C ATOM 939 CD1 TYR A 65 -6.201 -1.748 -0.185 1.00 0.00 C ATOM 940 CD2 TYR A 65 -5.367 -3.836 -0.977 1.00 0.00 C ATOM 941 CE1 TYR A 65 -7.351 -1.919 -0.932 1.00 0.00 C ATOM 942 CE2 TYR A 65 -6.512 -4.014 -1.728 1.00 0.00 C ATOM 943 CZ TYR A 65 -7.502 -3.053 -1.702 1.00 0.00 C ATOM 944 OH TYR A 65 -8.644 -3.227 -2.449 1.00 0.00 O ATOM 0 H TYR A 65 -1.645 -1.576 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.037 -0.377 0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.223 -3.297 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.178 -2.630 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.085 -0.858 0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.595 -4.591 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.127 -1.168 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.632 -4.901 -2.333 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.591 -4.077 -2.934 1.00 0.00 H new ATOM 954 N CYS A 66 -2.868 -0.290 2.650 1.00 0.00 N ATOM 955 CA CYS A 66 -2.074 0.045 3.826 1.00 0.00 C ATOM 956 C CYS A 66 -2.243 -1.010 4.915 1.00 0.00 C ATOM 957 O CYS A 66 -3.346 -1.500 5.153 1.00 0.00 O ATOM 958 CB CYS A 66 -2.478 1.419 4.365 1.00 0.00 C ATOM 959 SG CYS A 66 -4.166 1.484 5.047 1.00 0.00 S ATOM 0 H CYS A 66 -3.858 -0.056 2.729 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.025 0.072 3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.772 1.715 5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.394 2.151 3.562 1.00 0.00 H new ATOM 964 N ALA A 67 -1.141 -1.354 5.574 1.00 0.00 N ATOM 965 CA ALA A 67 -1.167 -2.349 6.639 1.00 0.00 C ATOM 966 C ALA A 67 -2.498 -2.321 7.384 1.00 0.00 C ATOM 967 O ALA A 67 -3.153 -3.351 7.543 1.00 0.00 O ATOM 968 CB ALA A 67 -0.015 -2.118 7.605 1.00 0.00 C ATOM 0 H ALA A 67 -0.219 -0.958 5.389 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.055 -3.334 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.047 -2.868 8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.931 -2.196 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.102 -1.124 8.044 1.00 0.00 H new ATOM 974 N ARG A 68 -2.891 -1.136 7.839 1.00 0.00 N ATOM 975 CA ARG A 68 -4.143 -0.975 8.569 1.00 0.00 C ATOM 976 C ARG A 68 -5.225 -1.887 8.000 1.00 0.00 C ATOM 977 O ARG A 68 -5.893 -2.612 8.738 1.00 0.00 O ATOM 978 CB ARG A 68 -4.607 0.482 8.513 1.00 0.00 C ATOM 979 CG ARG A 68 -4.065 1.338 9.647 1.00 0.00 C ATOM 980 CD ARG A 68 -5.033 1.387 10.819 1.00 0.00 C ATOM 981 NE ARG A 68 -4.393 1.878 12.036 1.00 0.00 N ATOM 982 CZ ARG A 68 -5.053 2.469 13.026 1.00 0.00 C ATOM 983 NH1 ARG A 68 -6.365 2.641 12.943 1.00 0.00 N ATOM 984 NH2 ARG A 68 -4.400 2.889 14.102 1.00 0.00 N ATOM 0 H ARG A 68 -2.361 -0.273 7.715 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.967 -1.253 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.299 0.916 7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.696 0.509 8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.108 0.938 9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.879 2.349 9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.875 2.031 10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.436 0.390 10.998 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.384 1.761 12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.870 2.319 12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.869 3.095 13.705 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.391 2.758 14.169 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.907 3.343 14.862 1.00 0.00 H new ATOM 998 N CYS A 69 -5.394 -1.846 6.682 1.00 0.00 N ATOM 999 CA CYS A 69 -6.395 -2.667 6.013 1.00 0.00 C ATOM 1000 C CYS A 69 -5.818 -4.027 5.633 1.00 0.00 C ATOM 1001 O CYS A 69 -6.421 -5.067 5.900 1.00 0.00 O ATOM 1002 CB CYS A 69 -6.916 -1.955 4.763 1.00 0.00 C ATOM 1003 SG CYS A 69 -5.621 -1.533 3.554 1.00 0.00 S ATOM 0 H CYS A 69 -4.850 -1.252 6.056 1.00 0.00 H new ATOM 0 HA CYS A 69 -7.222 -2.824 6.706 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -7.657 -2.590 4.278 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.428 -1.041 5.065 1.00 0.00 H new ATOM 1008 N THR A 70 -4.644 -4.013 5.009 1.00 0.00 N ATOM 1009 CA THR A 70 -3.985 -5.244 4.592 1.00 0.00 C ATOM 1010 C THR A 70 -4.118 -6.327 5.657 1.00 0.00 C ATOM 1011 O THR A 70 -4.471 -7.467 5.356 1.00 0.00 O ATOM 1012 CB THR A 70 -2.491 -5.009 4.298 1.00 0.00 C ATOM 1013 OG1 THR A 70 -2.333 -3.875 3.439 1.00 0.00 O ATOM 1014 CG2 THR A 70 -1.869 -6.236 3.647 1.00 0.00 C ATOM 0 H THR A 70 -4.130 -3.162 4.781 1.00 0.00 H new ATOM 0 HA THR A 70 -4.480 -5.574 3.679 1.00 0.00 H new ATOM 0 HB THR A 70 -1.982 -4.821 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.381 -3.732 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.814 -6.047 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.965 -7.091 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.382 -6.450 2.709 1.00 0.00 H new ATOM 1022 N ARG A 71 -3.832 -5.963 6.903 1.00 0.00 N ATOM 1023 CA ARG A 71 -3.919 -6.904 8.013 1.00 0.00 C ATOM 1024 C ARG A 71 -5.344 -7.428 8.171 1.00 0.00 C ATOM 1025 O ARG A 71 -5.553 -8.602 8.474 1.00 0.00 O ATOM 1026 CB ARG A 71 -3.462 -6.238 9.312 1.00 0.00 C ATOM 1027 CG ARG A 71 -4.475 -5.259 9.883 1.00 0.00 C ATOM 1028 CD ARG A 71 -3.828 -4.304 10.874 1.00 0.00 C ATOM 1029 NE ARG A 71 -3.812 -4.848 12.229 1.00 0.00 N ATOM 1030 CZ ARG A 71 -2.867 -5.664 12.683 1.00 0.00 C ATOM 1031 NH1 ARG A 71 -1.865 -6.026 11.894 1.00 0.00 N ATOM 1032 NH2 ARG A 71 -2.922 -6.118 13.928 1.00 0.00 N ATOM 0 H ARG A 71 -3.538 -5.023 7.169 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.262 -7.746 7.795 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.257 -7.010 10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.524 -5.713 9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.930 -4.690 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.277 -5.809 10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.807 -4.090 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.368 -3.357 10.870 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.568 -4.587 12.862 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.819 -5.678 10.936 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.141 -6.653 12.245 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.691 -5.841 14.538 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.196 -6.744 14.275 1.00 0.00 H new ATOM 1046 N GLN A 72 -6.319 -6.548 7.964 1.00 0.00 N ATOM 1047 CA GLN A 72 -7.723 -6.921 8.086 1.00 0.00 C ATOM 1048 C GLN A 72 -8.137 -7.857 6.954 1.00 0.00 C ATOM 1049 O GLN A 72 -8.489 -9.012 7.189 1.00 0.00 O ATOM 1050 CB GLN A 72 -8.607 -5.673 8.081 1.00 0.00 C ATOM 1051 CG GLN A 72 -8.353 -4.744 9.257 1.00 0.00 C ATOM 1052 CD GLN A 72 -8.437 -5.456 10.592 1.00 0.00 C ATOM 1053 OE1 GLN A 72 -8.992 -6.550 10.691 1.00 0.00 O ATOM 1054 NE2 GLN A 72 -7.885 -4.837 11.629 1.00 0.00 N ATOM 0 H GLN A 72 -6.162 -5.572 7.711 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.853 -7.445 9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.442 -5.125 7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.653 -5.979 8.089 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.366 -4.292 9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.079 -3.931 9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.435 -3.931 11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.911 -5.268 12.553 1.00 0.00 H new ATOM 1063 N MET A 73 -8.092 -7.348 5.727 1.00 0.00 N ATOM 1064 CA MET A 73 -8.462 -8.139 4.559 1.00 0.00 C ATOM 1065 C MET A 73 -7.815 -9.519 4.610 1.00 0.00 C ATOM 1066 O MET A 73 -8.414 -10.513 4.197 1.00 0.00 O ATOM 1067 CB MET A 73 -8.049 -7.416 3.275 1.00 0.00 C ATOM 1068 CG MET A 73 -8.768 -6.094 3.064 1.00 0.00 C ATOM 1069 SD MET A 73 -8.711 -5.538 1.350 1.00 0.00 S ATOM 1070 CE MET A 73 -8.417 -3.785 1.572 1.00 0.00 C ATOM 0 H MET A 73 -7.803 -6.393 5.516 1.00 0.00 H new ATOM 0 HA MET A 73 -9.545 -8.265 4.564 1.00 0.00 H new ATOM 0 HB2 MET A 73 -6.974 -7.236 3.299 1.00 0.00 H new ATOM 0 HB3 MET A 73 -8.244 -8.067 2.423 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.808 -6.197 3.374 1.00 0.00 H new ATOM 0 HG3 MET A 73 -8.318 -5.334 3.703 1.00 0.00 H new ATOM 0 HE1 MET A 73 -8.924 -3.228 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.802 -3.472 2.542 1.00 0.00 H new ATOM 0 HE3 MET A 73 -7.346 -3.587 1.525 1.00 0.00 H new ATOM 1080 N LYS A 74 -6.588 -9.575 5.118 1.00 0.00 N ATOM 1081 CA LYS A 74 -5.859 -10.833 5.224 1.00 0.00 C ATOM 1082 C LYS A 74 -6.563 -11.790 6.181 1.00 0.00 C ATOM 1083 O LYS A 74 -6.770 -12.961 5.861 1.00 0.00 O ATOM 1084 CB LYS A 74 -4.428 -10.578 5.701 1.00 0.00 C ATOM 1085 CG LYS A 74 -3.450 -10.304 4.572 1.00 0.00 C ATOM 1086 CD LYS A 74 -2.047 -10.770 4.923 1.00 0.00 C ATOM 1087 CE LYS A 74 -1.232 -11.075 3.675 1.00 0.00 C ATOM 1088 NZ LYS A 74 -0.783 -9.831 2.989 1.00 0.00 N ATOM 0 H LYS A 74 -6.077 -8.762 5.463 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.829 -11.292 4.236 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.428 -9.729 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.083 -11.443 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.787 -10.810 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.435 -9.236 4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.543 -10.001 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.104 -11.661 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.363 -11.674 3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.830 -11.673 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.231 -10.081 2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.613 -9.271 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.191 -9.272 3.636 1.00 0.00 H new ATOM 1102 N ARG A 75 -6.929 -11.284 7.354 1.00 0.00 N ATOM 1103 CA ARG A 75 -7.609 -12.095 8.357 1.00 0.00 C ATOM 1104 C ARG A 75 -8.530 -13.117 7.696 1.00 0.00 C ATOM 1105 O ARG A 75 -8.328 -14.324 7.825 1.00 0.00 O ATOM 1106 CB ARG A 75 -8.415 -11.203 9.303 1.00 0.00 C ATOM 1107 CG ARG A 75 -7.553 -10.303 10.173 1.00 0.00 C ATOM 1108 CD ARG A 75 -8.278 -9.899 11.447 1.00 0.00 C ATOM 1109 NE ARG A 75 -7.496 -8.962 12.249 1.00 0.00 N ATOM 1110 CZ ARG A 75 -8.002 -8.250 13.250 1.00 0.00 C ATOM 1111 NH1 ARG A 75 -9.283 -8.368 13.570 1.00 0.00 N ATOM 1112 NH2 ARG A 75 -7.226 -7.419 13.933 1.00 0.00 N ATOM 0 H ARG A 75 -6.766 -10.317 7.633 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.852 -12.631 8.930 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.094 -10.585 8.716 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.032 -11.832 9.945 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.628 -10.820 10.428 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.276 -9.410 9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.235 -9.445 11.191 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.495 -10.789 12.038 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.507 -8.848 12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.883 -9.007 13.047 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.669 -7.820 14.339 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.240 -7.326 13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.615 -6.873 14.701 1.00 0.00 H new ATOM 1126 N MET A 76 -9.542 -12.624 6.990 1.00 0.00 N ATOM 1127 CA MET A 76 -10.494 -13.494 6.309 1.00 0.00 C ATOM 1128 C MET A 76 -9.798 -14.329 5.239 1.00 0.00 C ATOM 1129 O MET A 76 -9.988 -15.542 5.164 1.00 0.00 O ATOM 1130 CB MET A 76 -11.614 -12.665 5.677 1.00 0.00 C ATOM 1131 CG MET A 76 -11.119 -11.644 4.667 1.00 0.00 C ATOM 1132 SD MET A 76 -12.459 -10.683 3.936 1.00 0.00 S ATOM 1133 CE MET A 76 -12.570 -9.322 5.094 1.00 0.00 C ATOM 0 H MET A 76 -9.724 -11.627 6.874 1.00 0.00 H new ATOM 0 HA MET A 76 -10.925 -14.169 7.049 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.319 -13.336 5.187 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.161 -12.148 6.465 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.416 -10.968 5.154 1.00 0.00 H new ATOM 0 HG3 MET A 76 -10.572 -12.157 3.876 1.00 0.00 H new ATOM 0 HE1 MET A 76 -13.569 -8.889 5.051 1.00 0.00 H new ATOM 0 HE2 MET A 76 -12.375 -9.686 6.103 1.00 0.00 H new ATOM 0 HE3 MET A 76 -11.834 -8.562 4.834 1.00 0.00 H new ATOM 1143 N ALA A 77 -8.992 -13.670 4.412 1.00 0.00 N ATOM 1144 CA ALA A 77 -8.267 -14.352 3.347 1.00 0.00 C ATOM 1145 C ALA A 77 -9.154 -15.375 2.646 1.00 0.00 C ATOM 1146 O ALA A 77 -8.728 -16.497 2.376 1.00 0.00 O ATOM 1147 CB ALA A 77 -7.021 -15.025 3.905 1.00 0.00 C ATOM 0 H ALA A 77 -8.825 -12.665 4.459 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.966 -13.607 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.489 -15.531 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.371 -14.273 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.309 -15.754 4.663 1.00 0.00 H new ATOM 1153 N GLN A 78 -10.389 -14.979 2.356 1.00 0.00 N ATOM 1154 CA GLN A 78 -11.337 -15.864 1.688 1.00 0.00 C ATOM 1155 C GLN A 78 -10.670 -16.602 0.532 1.00 0.00 C ATOM 1156 O GLN A 78 -9.891 -16.020 -0.224 1.00 0.00 O ATOM 1157 CB GLN A 78 -12.537 -15.066 1.175 1.00 0.00 C ATOM 1158 CG GLN A 78 -12.162 -13.966 0.194 1.00 0.00 C ATOM 1159 CD GLN A 78 -13.296 -13.613 -0.748 1.00 0.00 C ATOM 1160 OE1 GLN A 78 -13.889 -12.539 -0.649 1.00 0.00 O ATOM 1161 NE2 GLN A 78 -13.603 -14.518 -1.671 1.00 0.00 N ATOM 0 H GLN A 78 -10.757 -14.053 2.573 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.683 -16.600 2.414 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.237 -15.748 0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.058 -14.622 2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.865 -13.076 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -11.297 -14.283 -0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -13.085 -15.395 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.357 -14.335 -2.334 1.00 0.00 H new ATOM 1170 N LYS A 79 -10.981 -17.887 0.399 1.00 0.00 N ATOM 1171 CA LYS A 79 -10.413 -18.706 -0.665 1.00 0.00 C ATOM 1172 C LYS A 79 -11.357 -18.775 -1.861 1.00 0.00 C ATOM 1173 O LYS A 79 -12.521 -18.386 -1.768 1.00 0.00 O ATOM 1174 CB LYS A 79 -10.122 -20.117 -0.150 1.00 0.00 C ATOM 1175 CG LYS A 79 -11.366 -20.883 0.263 1.00 0.00 C ATOM 1176 CD LYS A 79 -11.036 -21.997 1.243 1.00 0.00 C ATOM 1177 CE LYS A 79 -10.567 -23.251 0.523 1.00 0.00 C ATOM 1178 NZ LYS A 79 -10.191 -24.331 1.478 1.00 0.00 N ATOM 0 H LYS A 79 -11.624 -18.384 1.016 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.480 -18.243 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.602 -20.678 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.446 -20.051 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.082 -20.198 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.845 -21.305 -0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.261 -21.660 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.916 -22.228 1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.358 -23.608 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.711 -23.009 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.925 -25.186 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.386 -24.018 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.999 -24.544 2.097 1.00 0.00 H new ATOM 1192 N ASN A 80 -10.848 -19.272 -2.984 1.00 0.00 N ATOM 1193 CA ASN A 80 -11.646 -19.392 -4.198 1.00 0.00 C ATOM 1194 C ASN A 80 -12.007 -20.849 -4.470 1.00 0.00 C ATOM 1195 O ASN A 80 -11.390 -21.505 -5.309 1.00 0.00 O ATOM 1196 CB ASN A 80 -10.887 -18.812 -5.392 1.00 0.00 C ATOM 1197 CG ASN A 80 -9.460 -19.320 -5.473 1.00 0.00 C ATOM 1198 OD1 ASN A 80 -9.199 -20.384 -6.035 1.00 0.00 O ATOM 1199 ND2 ASN A 80 -8.529 -18.559 -4.910 1.00 0.00 N ATOM 0 H ASN A 80 -9.886 -19.598 -3.078 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.568 -18.828 -4.054 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.413 -19.067 -6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.879 -17.724 -5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.551 -18.849 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.792 -17.685 -4.455 1.00 0.00 H new ATOM 1206 N GLN A 81 -13.010 -21.348 -3.755 1.00 0.00 N ATOM 1207 CA GLN A 81 -13.452 -22.728 -3.919 1.00 0.00 C ATOM 1208 C GLN A 81 -12.275 -23.643 -4.240 1.00 0.00 C ATOM 1209 O GLN A 81 -12.371 -24.517 -5.101 1.00 0.00 O ATOM 1210 CB GLN A 81 -14.502 -22.821 -5.028 1.00 0.00 C ATOM 1211 CG GLN A 81 -15.922 -22.574 -4.543 1.00 0.00 C ATOM 1212 CD GLN A 81 -16.967 -23.084 -5.516 1.00 0.00 C ATOM 1213 OE1 GLN A 81 -16.850 -22.894 -6.727 1.00 0.00 O ATOM 1214 NE2 GLN A 81 -17.997 -23.736 -4.990 1.00 0.00 N ATOM 0 H GLN A 81 -13.532 -20.818 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.896 -23.054 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.262 -22.097 -5.806 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.450 -23.809 -5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -16.062 -23.060 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.068 -21.505 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.054 -23.871 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -18.732 -24.102 -5.595 1.00 0.00 H new ATOM 1223 N LYS A 82 -11.164 -23.436 -3.541 1.00 0.00 N ATOM 1224 CA LYS A 82 -9.967 -24.241 -3.750 1.00 0.00 C ATOM 1225 C LYS A 82 -10.215 -25.695 -3.360 1.00 0.00 C ATOM 1226 O LYS A 82 -9.867 -26.615 -4.101 1.00 0.00 O ATOM 1227 CB LYS A 82 -8.799 -23.676 -2.939 1.00 0.00 C ATOM 1228 CG LYS A 82 -7.998 -22.619 -3.680 1.00 0.00 C ATOM 1229 CD LYS A 82 -7.183 -23.227 -4.809 1.00 0.00 C ATOM 1230 CE LYS A 82 -5.932 -23.916 -4.284 1.00 0.00 C ATOM 1231 NZ LYS A 82 -4.926 -24.133 -5.361 1.00 0.00 N ATOM 0 H LYS A 82 -11.068 -22.717 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.716 -24.205 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.184 -23.246 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.134 -24.493 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.674 -21.865 -4.083 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.332 -22.110 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.794 -23.946 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.901 -22.447 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.491 -23.313 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.204 -24.875 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.088 -24.605 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.338 -24.730 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.648 -23.216 -5.766 1.00 0.00 H new ATOM 1245 N SER A 83 -10.818 -25.895 -2.193 1.00 0.00 N ATOM 1246 CA SER A 83 -11.111 -27.237 -1.703 1.00 0.00 C ATOM 1247 C SER A 83 -12.548 -27.633 -2.027 1.00 0.00 C ATOM 1248 O SER A 83 -13.336 -26.817 -2.504 1.00 0.00 O ATOM 1249 CB SER A 83 -10.877 -27.314 -0.193 1.00 0.00 C ATOM 1250 OG SER A 83 -9.533 -27.004 0.131 1.00 0.00 O ATOM 0 H SER A 83 -11.113 -25.145 -1.569 1.00 0.00 H new ATOM 0 HA SER A 83 -10.439 -27.934 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.546 -26.622 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.119 -28.315 0.165 1.00 0.00 H new ATOM 0 HG SER A 83 -9.410 -27.058 1.102 1.00 0.00 H new ATOM 1256 N GLY A 84 -12.882 -28.893 -1.765 1.00 0.00 N ATOM 1257 CA GLY A 84 -14.224 -29.376 -2.034 1.00 0.00 C ATOM 1258 C GLY A 84 -15.170 -29.136 -0.875 1.00 0.00 C ATOM 1259 O GLY A 84 -15.344 -28.010 -0.410 1.00 0.00 O ATOM 0 H GLY A 84 -12.247 -29.588 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.613 -28.882 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.186 -30.443 -2.253 1.00 0.00 H new ATOM 1263 N PRO A 85 -15.803 -30.215 -0.391 1.00 0.00 N ATOM 1264 CA PRO A 85 -16.749 -30.142 0.727 1.00 0.00 C ATOM 1265 C PRO A 85 -16.060 -29.831 2.051 1.00 0.00 C ATOM 1266 O PRO A 85 -15.440 -30.703 2.659 1.00 0.00 O ATOM 1267 CB PRO A 85 -17.366 -31.543 0.762 1.00 0.00 C ATOM 1268 CG PRO A 85 -16.337 -32.425 0.144 1.00 0.00 C ATOM 1269 CD PRO A 85 -15.644 -31.589 -0.896 1.00 0.00 C ATOM 0 HA PRO A 85 -17.478 -29.343 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -17.590 -31.851 1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.303 -31.577 0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -15.629 -32.782 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.797 -33.305 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -14.593 -31.861 -0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.100 -31.711 -1.879 1.00 0.00 H new ATOM 1277 N SER A 86 -16.172 -28.582 2.492 1.00 0.00 N ATOM 1278 CA SER A 86 -15.557 -28.155 3.743 1.00 0.00 C ATOM 1279 C SER A 86 -16.183 -26.856 4.242 1.00 0.00 C ATOM 1280 O SER A 86 -16.285 -25.879 3.500 1.00 0.00 O ATOM 1281 CB SER A 86 -14.049 -27.969 3.557 1.00 0.00 C ATOM 1282 OG SER A 86 -13.461 -27.387 4.707 1.00 0.00 O ATOM 0 H SER A 86 -16.683 -27.848 2.001 1.00 0.00 H new ATOM 0 HA SER A 86 -15.732 -28.931 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.583 -28.933 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.862 -27.336 2.689 1.00 0.00 H new ATOM 0 HG SER A 86 -12.497 -27.280 4.563 1.00 0.00 H new ATOM 1288 N SER A 87 -16.602 -26.855 5.503 1.00 0.00 N ATOM 1289 CA SER A 87 -17.222 -25.679 6.101 1.00 0.00 C ATOM 1290 C SER A 87 -16.211 -24.546 6.247 1.00 0.00 C ATOM 1291 O SER A 87 -15.334 -24.589 7.109 1.00 0.00 O ATOM 1292 CB SER A 87 -17.816 -26.028 7.467 1.00 0.00 C ATOM 1293 OG SER A 87 -18.124 -24.857 8.203 1.00 0.00 O ATOM 0 H SER A 87 -16.523 -27.655 6.130 1.00 0.00 H new ATOM 0 HA SER A 87 -18.022 -25.345 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 87 -18.718 -26.625 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 87 -17.110 -26.639 8.029 1.00 0.00 H new ATOM 0 HG SER A 87 -18.504 -25.107 9.071 1.00 0.00 H new ATOM 1299 N GLY A 88 -16.340 -23.532 5.397 1.00 0.00 N ATOM 1300 CA GLY A 88 -15.431 -22.401 5.447 1.00 0.00 C ATOM 1301 C GLY A 88 -15.856 -21.360 6.463 1.00 0.00 C ATOM 1302 O GLY A 88 -16.284 -21.729 7.556 1.00 0.00 O ATOM 0 H GLY A 88 -17.058 -23.473 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -14.429 -22.755 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -15.375 -21.940 4.461 1.00 0.00 H new TER 1306 GLY A 88 HETATM 1307 ZN ZN A 201 5.699 10.347 5.795 1.00 0.00 ZN HETATM 1308 ZN ZN A 401 -5.858 0.858 3.589 1.00 0.00 ZN