USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 520 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 NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) 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= -0.119 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.476 K(o=-0.48,f=-2.8!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.112 X(o=0.11,f=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.75 F(o=-1.6,f=-0.75) USER MOD Single : A 26 ASN : amide:sc= -0.606 K(o=-0.61,f=-2.2!) USER MOD Single : A 27 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.41) USER MOD Single : A 30 MET CE :methyl 165:sc= -0.804 (180deg=-1.23) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 62 TYR OH : rot 115:sc= 1.38 USER MOD Single : A 66 ASN : amide:sc= -3.38! C(o=-3.4!,f=-6.6!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.697 32.461 18.185 1.00 0.00 N ATOM 2 CA GLY A 1 4.086 31.369 19.058 1.00 0.00 C ATOM 3 C GLY A 1 5.341 30.664 18.581 1.00 0.00 C ATOM 4 O GLY A 1 6.441 31.209 18.675 1.00 0.00 O ATOM 0 H1 GLY A 1 2.835 32.910 18.554 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.463 33.163 18.145 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.514 32.093 17.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.249 31.753 20.065 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.270 30.649 19.120 1.00 0.00 H new ATOM 8 N SER A 2 5.177 29.448 18.069 1.00 0.00 N ATOM 9 CA SER A 2 6.307 28.666 17.581 1.00 0.00 C ATOM 10 C SER A 2 6.136 28.329 16.103 1.00 0.00 C ATOM 11 O SER A 2 5.025 28.077 15.637 1.00 0.00 O ATOM 12 CB SER A 2 6.453 27.380 18.396 1.00 0.00 C ATOM 13 OG SER A 2 7.037 27.640 19.661 1.00 0.00 O ATOM 0 H SER A 2 4.273 28.983 17.981 1.00 0.00 H new ATOM 0 HA SER A 2 7.210 29.265 17.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.475 26.919 18.532 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.068 26.667 17.848 1.00 0.00 H new ATOM 0 HG SER A 2 7.118 26.802 20.163 1.00 0.00 H new ATOM 19 N SER A 3 7.245 28.326 15.371 1.00 0.00 N ATOM 20 CA SER A 3 7.219 28.024 13.945 1.00 0.00 C ATOM 21 C SER A 3 8.583 27.532 13.469 1.00 0.00 C ATOM 22 O SER A 3 9.620 27.954 13.979 1.00 0.00 O ATOM 23 CB SER A 3 6.803 29.261 13.147 1.00 0.00 C ATOM 24 OG SER A 3 7.764 30.295 13.273 1.00 0.00 O ATOM 0 H SER A 3 8.173 28.529 15.742 1.00 0.00 H new ATOM 0 HA SER A 3 6.488 27.232 13.780 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.684 28.997 12.096 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.834 29.616 13.498 1.00 0.00 H new ATOM 0 HG SER A 3 7.476 31.074 12.753 1.00 0.00 H new ATOM 30 N GLY A 4 8.572 26.637 12.486 1.00 0.00 N ATOM 31 CA GLY A 4 9.813 26.101 11.957 1.00 0.00 C ATOM 32 C GLY A 4 9.585 24.959 10.987 1.00 0.00 C ATOM 33 O GLY A 4 9.257 23.845 11.397 1.00 0.00 O ATOM 0 H GLY A 4 7.726 26.274 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.363 26.896 11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.436 25.754 12.781 1.00 0.00 H new ATOM 37 N SER A 5 9.756 25.235 9.699 1.00 0.00 N ATOM 38 CA SER A 5 9.561 24.222 8.667 1.00 0.00 C ATOM 39 C SER A 5 10.480 23.027 8.899 1.00 0.00 C ATOM 40 O SER A 5 11.478 23.126 9.613 1.00 0.00 O ATOM 41 CB SER A 5 9.820 24.818 7.282 1.00 0.00 C ATOM 42 OG SER A 5 9.367 23.948 6.260 1.00 0.00 O ATOM 0 H SER A 5 10.029 26.151 9.344 1.00 0.00 H new ATOM 0 HA SER A 5 8.528 23.879 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.314 25.780 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.886 25.007 7.157 1.00 0.00 H new ATOM 0 HG SER A 5 9.542 24.352 5.385 1.00 0.00 H new ATOM 48 N SER A 6 10.135 21.896 8.291 1.00 0.00 N ATOM 49 CA SER A 6 10.926 20.679 8.433 1.00 0.00 C ATOM 50 C SER A 6 10.745 19.769 7.223 1.00 0.00 C ATOM 51 O SER A 6 9.965 20.067 6.319 1.00 0.00 O ATOM 52 CB SER A 6 10.530 19.935 9.710 1.00 0.00 C ATOM 53 OG SER A 6 11.435 18.880 9.986 1.00 0.00 O ATOM 0 H SER A 6 9.313 21.797 7.695 1.00 0.00 H new ATOM 0 HA SER A 6 11.976 20.963 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.511 20.631 10.549 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.522 19.535 9.604 1.00 0.00 H new ATOM 0 HG SER A 6 11.162 18.421 10.808 1.00 0.00 H new ATOM 59 N GLY A 7 11.473 18.656 7.213 1.00 0.00 N ATOM 60 CA GLY A 7 11.379 17.718 6.109 1.00 0.00 C ATOM 61 C GLY A 7 11.356 16.276 6.574 1.00 0.00 C ATOM 62 O GLY A 7 12.086 15.436 6.049 1.00 0.00 O ATOM 0 H GLY A 7 12.126 18.387 7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.476 17.926 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.224 17.866 5.437 1.00 0.00 H new ATOM 66 N GLU A 8 10.516 15.988 7.564 1.00 0.00 N ATOM 67 CA GLU A 8 10.403 14.637 8.101 1.00 0.00 C ATOM 68 C GLU A 8 8.993 14.372 8.619 1.00 0.00 C ATOM 69 O GLU A 8 8.271 15.300 8.986 1.00 0.00 O ATOM 70 CB GLU A 8 11.419 14.425 9.225 1.00 0.00 C ATOM 71 CG GLU A 8 11.132 15.251 10.468 1.00 0.00 C ATOM 72 CD GLU A 8 11.666 14.606 11.733 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.811 14.108 11.706 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.940 14.600 12.748 1.00 0.00 O ATOM 0 H GLU A 8 9.904 16.672 8.010 1.00 0.00 H new ATOM 0 HA GLU A 8 10.612 13.935 7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.434 13.369 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.414 14.673 8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.576 16.240 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.056 15.394 10.564 1.00 0.00 H new ATOM 81 N CYS A 9 8.607 13.102 8.644 1.00 0.00 N ATOM 82 CA CYS A 9 7.282 12.714 9.115 1.00 0.00 C ATOM 83 C CYS A 9 6.841 13.593 10.282 1.00 0.00 C ATOM 84 O CYS A 9 7.532 13.686 11.296 1.00 0.00 O ATOM 85 CB CYS A 9 7.277 11.245 9.538 1.00 0.00 C ATOM 86 SG CYS A 9 7.096 10.082 8.165 1.00 0.00 S ATOM 0 H CYS A 9 9.193 12.323 8.344 1.00 0.00 H new ATOM 0 HA CYS A 9 6.578 12.850 8.294 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.206 11.027 10.065 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.464 11.085 10.246 1.00 0.00 H new ATOM 0 HG CYS A 9 7.105 8.865 8.623 1.00 0.00 H new ATOM 92 N GLU A 10 5.688 14.236 10.129 1.00 0.00 N ATOM 93 CA GLU A 10 5.157 15.109 11.169 1.00 0.00 C ATOM 94 C GLU A 10 3.668 15.365 10.957 1.00 0.00 C ATOM 95 O GLU A 10 3.066 14.853 10.013 1.00 0.00 O ATOM 96 CB GLU A 10 5.917 16.437 11.188 1.00 0.00 C ATOM 97 CG GLU A 10 5.567 17.355 10.028 1.00 0.00 C ATOM 98 CD GLU A 10 6.142 18.748 10.193 1.00 0.00 C ATOM 99 OE1 GLU A 10 7.384 18.881 10.186 1.00 0.00 O ATOM 100 OE2 GLU A 10 5.351 19.705 10.328 1.00 0.00 O ATOM 0 H GLU A 10 5.104 14.169 9.295 1.00 0.00 H new ATOM 0 HA GLU A 10 5.289 14.610 12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.707 16.953 12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.988 16.234 11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.939 16.920 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.483 17.422 9.937 1.00 0.00 H new ATOM 107 N VAL A 11 3.078 16.162 11.844 1.00 0.00 N ATOM 108 CA VAL A 11 1.660 16.487 11.754 1.00 0.00 C ATOM 109 C VAL A 11 1.454 17.965 11.445 1.00 0.00 C ATOM 110 O VAL A 11 1.422 18.801 12.349 1.00 0.00 O ATOM 111 CB VAL A 11 0.921 16.139 13.060 1.00 0.00 C ATOM 112 CG1 VAL A 11 -0.566 16.432 12.927 1.00 0.00 C ATOM 113 CG2 VAL A 11 1.154 14.682 13.432 1.00 0.00 C ATOM 0 H VAL A 11 3.561 16.594 12.632 1.00 0.00 H new ATOM 0 HA VAL A 11 1.249 15.888 10.942 1.00 0.00 H new ATOM 0 HB VAL A 11 1.320 16.763 13.860 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.071 16.180 13.859 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.710 17.491 12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.983 15.836 12.115 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.625 14.454 14.357 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.784 14.039 12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.221 14.508 13.572 1.00 0.00 H new ATOM 123 N TYR A 12 1.313 18.282 10.163 1.00 0.00 N ATOM 124 CA TYR A 12 1.111 19.660 9.733 1.00 0.00 C ATOM 125 C TYR A 12 -0.103 20.274 10.423 1.00 0.00 C ATOM 126 O TYR A 12 -0.786 19.613 11.205 1.00 0.00 O ATOM 127 CB TYR A 12 0.935 19.723 8.215 1.00 0.00 C ATOM 128 CG TYR A 12 2.002 18.973 7.450 1.00 0.00 C ATOM 129 CD1 TYR A 12 1.880 17.612 7.202 1.00 0.00 C ATOM 130 CD2 TYR A 12 3.132 19.627 6.973 1.00 0.00 C ATOM 131 CE1 TYR A 12 2.853 16.923 6.504 1.00 0.00 C ATOM 132 CE2 TYR A 12 4.109 18.947 6.273 1.00 0.00 C ATOM 133 CZ TYR A 12 3.965 17.595 6.042 1.00 0.00 C ATOM 134 OH TYR A 12 4.936 16.912 5.345 1.00 0.00 O ATOM 0 H TYR A 12 1.335 17.602 9.403 1.00 0.00 H new ATOM 0 HA TYR A 12 1.994 20.234 10.013 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.042 19.316 7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.940 20.767 7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.009 17.083 7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.248 20.686 7.153 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.743 15.864 6.321 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.980 19.471 5.909 1.00 0.00 H new ATOM 0 HH TYR A 12 5.652 17.531 5.089 1.00 0.00 H new ATOM 144 N ASP A 13 -0.365 21.542 10.127 1.00 0.00 N ATOM 145 CA ASP A 13 -1.498 22.246 10.717 1.00 0.00 C ATOM 146 C ASP A 13 -2.726 21.344 10.779 1.00 0.00 C ATOM 147 O ASP A 13 -3.103 20.699 9.800 1.00 0.00 O ATOM 148 CB ASP A 13 -1.816 23.508 9.912 1.00 0.00 C ATOM 149 CG ASP A 13 -0.685 24.517 9.946 1.00 0.00 C ATOM 150 OD1 ASP A 13 0.469 24.122 9.682 1.00 0.00 O ATOM 151 OD2 ASP A 13 -0.955 25.701 10.237 1.00 0.00 O ATOM 0 H ASP A 13 0.191 22.104 9.482 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.228 22.531 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.023 23.233 8.878 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.722 23.968 10.307 1.00 0.00 H new ATOM 156 N PRO A 14 -3.367 21.296 11.956 1.00 0.00 N ATOM 157 CA PRO A 14 -4.562 20.475 12.175 1.00 0.00 C ATOM 158 C PRO A 14 -5.777 21.010 11.425 1.00 0.00 C ATOM 159 O PRO A 14 -6.604 20.242 10.935 1.00 0.00 O ATOM 160 CB PRO A 14 -4.784 20.567 13.686 1.00 0.00 C ATOM 161 CG PRO A 14 -4.149 21.854 14.085 1.00 0.00 C ATOM 162 CD PRO A 14 -2.974 22.039 13.165 1.00 0.00 C ATOM 0 HA PRO A 14 -4.429 19.456 11.812 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.846 20.557 13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.329 19.723 14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.852 22.682 13.991 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.828 21.825 15.126 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.795 23.092 12.949 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.057 21.642 13.600 1.00 0.00 H new ATOM 170 N ASN A 15 -5.878 22.333 11.338 1.00 0.00 N ATOM 171 CA ASN A 15 -6.994 22.970 10.648 1.00 0.00 C ATOM 172 C ASN A 15 -7.082 22.493 9.201 1.00 0.00 C ATOM 173 O ASN A 15 -8.137 22.573 8.574 1.00 0.00 O ATOM 174 CB ASN A 15 -6.841 24.492 10.686 1.00 0.00 C ATOM 175 CG ASN A 15 -6.574 25.011 12.086 1.00 0.00 C ATOM 176 OD1 ASN A 15 -6.645 24.263 13.061 1.00 0.00 O ATOM 177 ND2 ASN A 15 -6.266 26.299 12.191 1.00 0.00 N ATOM 0 H ASN A 15 -5.201 22.984 11.736 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.914 22.690 11.161 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.023 24.789 10.029 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.747 24.955 10.296 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.077 26.705 13.107 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.219 26.882 11.355 1.00 0.00 H new ATOM 184 N ALA A 16 -5.965 21.998 8.678 1.00 0.00 N ATOM 185 CA ALA A 16 -5.916 21.505 7.307 1.00 0.00 C ATOM 186 C ALA A 16 -6.597 20.146 7.187 1.00 0.00 C ATOM 187 O ALA A 16 -6.367 19.251 8.001 1.00 0.00 O ATOM 188 CB ALA A 16 -4.475 21.420 6.828 1.00 0.00 C ATOM 0 H ALA A 16 -5.082 21.928 9.183 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.456 22.209 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.454 21.050 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.020 22.410 6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.917 20.739 7.471 1.00 0.00 H new ATOM 194 N LEU A 17 -7.437 19.999 6.169 1.00 0.00 N ATOM 195 CA LEU A 17 -8.153 18.748 5.942 1.00 0.00 C ATOM 196 C LEU A 17 -8.049 18.317 4.483 1.00 0.00 C ATOM 197 O LEU A 17 -8.076 19.150 3.576 1.00 0.00 O ATOM 198 CB LEU A 17 -9.622 18.899 6.338 1.00 0.00 C ATOM 199 CG LEU A 17 -9.887 19.429 7.748 1.00 0.00 C ATOM 200 CD1 LEU A 17 -11.363 19.743 7.933 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.419 18.425 8.791 1.00 0.00 C ATOM 0 H LEU A 17 -7.639 20.730 5.487 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.694 17.978 6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.103 19.568 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.106 17.927 6.240 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.322 20.352 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.531 20.119 8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.668 20.499 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.950 18.837 7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.615 18.818 9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.957 17.486 8.659 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.349 18.250 8.674 1.00 0.00 H new ATOM 213 N TYR A 18 -7.933 17.012 4.263 1.00 0.00 N ATOM 214 CA TYR A 18 -7.825 16.471 2.914 1.00 0.00 C ATOM 215 C TYR A 18 -8.814 15.329 2.704 1.00 0.00 C ATOM 216 O TYR A 18 -9.762 15.446 1.926 1.00 0.00 O ATOM 217 CB TYR A 18 -6.400 15.981 2.650 1.00 0.00 C ATOM 218 CG TYR A 18 -5.442 17.085 2.263 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.554 17.731 1.038 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.426 17.483 3.123 1.00 0.00 C ATOM 221 CE1 TYR A 18 -4.681 18.739 0.680 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.549 18.492 2.774 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.680 19.117 1.551 1.00 0.00 C ATOM 224 OH TYR A 18 -2.809 20.122 1.198 1.00 0.00 O ATOM 0 H TYR A 18 -7.911 16.309 5.002 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.064 17.269 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.025 15.483 3.544 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.422 15.236 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.337 17.440 0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.320 16.995 4.081 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.781 19.229 -0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.765 18.790 3.455 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.165 20.267 1.923 1.00 0.00 H new ATOM 234 N CYS A 19 -8.588 14.223 3.405 1.00 0.00 N ATOM 235 CA CYS A 19 -9.457 13.058 3.299 1.00 0.00 C ATOM 236 C CYS A 19 -10.879 13.398 3.737 1.00 0.00 C ATOM 237 O CYS A 19 -11.123 14.454 4.320 1.00 0.00 O ATOM 238 CB CYS A 19 -8.911 11.908 4.148 1.00 0.00 C ATOM 239 SG CYS A 19 -9.630 10.282 3.749 1.00 0.00 S ATOM 0 H CYS A 19 -7.809 14.109 4.053 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.482 12.749 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.830 11.857 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.096 12.127 5.200 1.00 0.00 H new ATOM 244 N ILE A 20 -11.812 12.495 3.452 1.00 0.00 N ATOM 245 CA ILE A 20 -13.208 12.699 3.818 1.00 0.00 C ATOM 246 C ILE A 20 -13.389 12.671 5.331 1.00 0.00 C ATOM 247 O ILE A 20 -14.310 13.288 5.869 1.00 0.00 O ATOM 248 CB ILE A 20 -14.118 11.631 3.183 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.647 10.229 3.577 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.138 11.783 1.669 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.636 9.139 3.229 1.00 0.00 C ATOM 0 H ILE A 20 -11.626 11.616 2.969 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.494 13.680 3.439 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.133 11.772 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.699 10.020 3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.457 10.207 4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.785 11.021 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.516 12.772 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.127 11.666 1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.236 8.173 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.578 9.323 3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.808 9.134 2.153 1.00 0.00 H new ATOM 263 N CYS A 21 -12.504 11.953 6.015 1.00 0.00 N ATOM 264 CA CYS A 21 -12.565 11.845 7.467 1.00 0.00 C ATOM 265 C CYS A 21 -11.954 13.077 8.130 1.00 0.00 C ATOM 266 O CYS A 21 -11.678 13.076 9.330 1.00 0.00 O ATOM 267 CB CYS A 21 -11.835 10.585 7.937 1.00 0.00 C ATOM 268 SG CYS A 21 -10.057 10.565 7.539 1.00 0.00 S ATOM 0 H CYS A 21 -11.736 11.437 5.586 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.613 11.779 7.758 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.956 10.489 9.016 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.308 9.714 7.484 1.00 0.00 H new ATOM 273 N ARG A 22 -11.747 14.126 7.340 1.00 0.00 N ATOM 274 CA ARG A 22 -11.169 15.363 7.850 1.00 0.00 C ATOM 275 C ARG A 22 -9.944 15.076 8.713 1.00 0.00 C ATOM 276 O ARG A 22 -9.863 15.518 9.858 1.00 0.00 O ATOM 277 CB ARG A 22 -12.207 16.140 8.661 1.00 0.00 C ATOM 278 CG ARG A 22 -13.283 16.793 7.808 1.00 0.00 C ATOM 279 CD ARG A 22 -14.260 15.765 7.261 1.00 0.00 C ATOM 280 NE ARG A 22 -15.597 16.324 7.077 1.00 0.00 N ATOM 281 CZ ARG A 22 -16.469 16.486 8.066 1.00 0.00 C ATOM 282 NH1 ARG A 22 -16.146 16.132 9.303 1.00 0.00 N ATOM 283 NH2 ARG A 22 -17.666 17.002 7.820 1.00 0.00 N ATOM 0 H ARG A 22 -11.971 14.143 6.345 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.858 15.967 6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.680 15.463 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.699 16.910 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.823 17.530 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.818 17.330 6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.891 15.386 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.313 14.916 7.943 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.876 16.605 6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.227 15.735 9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.817 16.257 10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.918 17.275 6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.334 17.126 8.581 1.00 0.00 H new ATOM 297 N GLN A 23 -8.994 14.333 8.154 1.00 0.00 N ATOM 298 CA GLN A 23 -7.774 13.986 8.874 1.00 0.00 C ATOM 299 C GLN A 23 -6.539 14.439 8.102 1.00 0.00 C ATOM 300 O GLN A 23 -6.558 14.577 6.879 1.00 0.00 O ATOM 301 CB GLN A 23 -7.713 12.477 9.118 1.00 0.00 C ATOM 302 CG GLN A 23 -8.659 11.998 10.207 1.00 0.00 C ATOM 303 CD GLN A 23 -8.203 10.702 10.848 1.00 0.00 C ATOM 304 OE1 GLN A 23 -7.200 10.668 11.561 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.940 9.626 10.597 1.00 0.00 N ATOM 0 H GLN A 23 -9.045 13.960 7.206 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.789 14.502 9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.949 11.957 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.693 12.202 9.387 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.744 12.768 10.974 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.654 11.859 9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.764 9.700 10.000 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.682 8.726 11.001 1.00 0.00 H new ATOM 314 N PRO A 24 -5.439 14.676 8.831 1.00 0.00 N ATOM 315 CA PRO A 24 -4.174 15.117 8.236 1.00 0.00 C ATOM 316 C PRO A 24 -3.509 14.021 7.410 1.00 0.00 C ATOM 317 O PRO A 24 -3.879 12.850 7.501 1.00 0.00 O ATOM 318 CB PRO A 24 -3.313 15.468 9.451 1.00 0.00 C ATOM 319 CG PRO A 24 -3.869 14.643 10.560 1.00 0.00 C ATOM 320 CD PRO A 24 -5.345 14.532 10.294 1.00 0.00 C ATOM 0 HA PRO A 24 -4.317 15.947 7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.263 15.236 9.273 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.369 16.532 9.682 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.402 13.658 10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.681 15.111 11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.743 13.575 10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.906 15.310 10.811 1.00 0.00 H new ATOM 328 N HIS A 25 -2.526 14.408 6.604 1.00 0.00 N ATOM 329 CA HIS A 25 -1.808 13.457 5.762 1.00 0.00 C ATOM 330 C HIS A 25 -0.813 12.646 6.586 1.00 0.00 C ATOM 331 O HIS A 25 0.383 12.935 6.593 1.00 0.00 O ATOM 332 CB HIS A 25 -1.078 14.190 4.636 1.00 0.00 C ATOM 333 CG HIS A 25 -0.065 13.344 3.929 1.00 0.00 C ATOM 334 ND1 HIS A 25 0.011 12.002 3.769 1.00 0.00 N flip ATOM 335 CD2 HIS A 25 1.035 13.868 3.283 1.00 0.00 C flip ATOM 336 CE1 HIS A 25 1.143 11.743 3.036 1.00 0.00 C flip ATOM 337 NE2 HIS A 25 1.743 12.886 2.755 1.00 0.00 N flip ATOM 0 H HIS A 25 -2.208 15.373 6.516 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.536 12.772 5.327 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.810 14.547 3.912 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.582 15.069 5.048 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.279 14.918 3.219 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.487 10.764 2.738 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.606 12.992 2.221 1.00 0.00 H new ATOM 346 N ASN A 26 -1.315 11.629 7.279 1.00 0.00 N ATOM 347 CA ASN A 26 -0.470 10.777 8.107 1.00 0.00 C ATOM 348 C ASN A 26 0.498 9.971 7.247 1.00 0.00 C ATOM 349 O ASN A 26 0.568 10.157 6.033 1.00 0.00 O ATOM 350 CB ASN A 26 -1.332 9.832 8.948 1.00 0.00 C ATOM 351 CG ASN A 26 -2.554 10.521 9.523 1.00 0.00 C ATOM 352 OD1 ASN A 26 -2.443 11.536 10.210 1.00 0.00 O ATOM 353 ND2 ASN A 26 -3.730 9.970 9.243 1.00 0.00 N ATOM 0 H ASN A 26 -2.303 11.375 7.283 1.00 0.00 H new ATOM 0 HA ASN A 26 0.110 11.418 8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.649 8.990 8.333 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.732 9.424 9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.588 10.389 9.602 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.775 9.128 8.669 1.00 0.00 H new ATOM 360 N ASN A 27 1.243 9.074 7.886 1.00 0.00 N ATOM 361 CA ASN A 27 2.208 8.239 7.180 1.00 0.00 C ATOM 362 C ASN A 27 1.514 7.062 6.501 1.00 0.00 C ATOM 363 O ASN A 27 2.009 5.935 6.532 1.00 0.00 O ATOM 364 CB ASN A 27 3.276 7.727 8.149 1.00 0.00 C ATOM 365 CG ASN A 27 2.705 7.385 9.511 1.00 0.00 C ATOM 366 OD1 ASN A 27 2.880 8.130 10.475 1.00 0.00 O ATOM 367 ND2 ASN A 27 2.016 6.253 9.596 1.00 0.00 N ATOM 0 H ASN A 27 1.197 8.907 8.891 1.00 0.00 H new ATOM 0 HA ASN A 27 2.686 8.848 6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.753 6.843 7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.052 8.484 8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.607 5.971 10.487 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.896 5.666 8.771 1.00 0.00 H new ATOM 374 N ARG A 28 0.366 7.332 5.888 1.00 0.00 N ATOM 375 CA ARG A 28 -0.396 6.295 5.203 1.00 0.00 C ATOM 376 C ARG A 28 -0.355 6.501 3.691 1.00 0.00 C ATOM 377 O ARG A 28 0.081 7.546 3.208 1.00 0.00 O ATOM 378 CB ARG A 28 -1.846 6.293 5.689 1.00 0.00 C ATOM 379 CG ARG A 28 -1.981 6.203 7.200 1.00 0.00 C ATOM 380 CD ARG A 28 -3.440 6.213 7.630 1.00 0.00 C ATOM 381 NE ARG A 28 -3.652 5.460 8.864 1.00 0.00 N ATOM 382 CZ ARG A 28 -3.831 4.144 8.900 1.00 0.00 C ATOM 383 NH1 ARG A 28 -3.823 3.440 7.777 1.00 0.00 N ATOM 384 NH2 ARG A 28 -4.017 3.531 10.061 1.00 0.00 N ATOM 0 H ARG A 28 -0.057 8.260 5.852 1.00 0.00 H new ATOM 0 HA ARG A 28 0.058 5.332 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.338 7.202 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.371 5.453 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.502 5.291 7.556 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.458 7.039 7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.769 7.242 7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.055 5.789 6.836 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.663 5.973 9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.679 3.908 6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.961 2.430 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.023 4.070 10.927 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.154 2.521 10.088 1.00 0.00 H new ATOM 398 N PHE A 29 -0.812 5.497 2.950 1.00 0.00 N ATOM 399 CA PHE A 29 -0.827 5.567 1.494 1.00 0.00 C ATOM 400 C PHE A 29 -1.964 6.458 1.003 1.00 0.00 C ATOM 401 O PHE A 29 -3.123 6.262 1.370 1.00 0.00 O ATOM 402 CB PHE A 29 -0.968 4.165 0.896 1.00 0.00 C ATOM 403 CG PHE A 29 -1.193 4.167 -0.589 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.136 4.364 -1.463 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.462 3.972 -1.111 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.340 4.365 -2.830 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.671 3.972 -2.477 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.609 4.170 -3.338 1.00 0.00 C ATOM 0 H PHE A 29 -1.177 4.625 3.334 1.00 0.00 H new ATOM 0 HA PHE A 29 0.118 6.001 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.068 3.592 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.800 3.654 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.859 4.519 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.297 3.818 -0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.493 4.518 -3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.664 3.817 -2.871 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.771 4.172 -4.406 1.00 0.00 H new ATOM 418 N MET A 30 -1.625 7.438 0.172 1.00 0.00 N ATOM 419 CA MET A 30 -2.617 8.359 -0.369 1.00 0.00 C ATOM 420 C MET A 30 -2.636 8.303 -1.894 1.00 0.00 C ATOM 421 O MET A 30 -1.646 7.928 -2.522 1.00 0.00 O ATOM 422 CB MET A 30 -2.328 9.786 0.098 1.00 0.00 C ATOM 423 CG MET A 30 -2.662 10.027 1.561 1.00 0.00 C ATOM 424 SD MET A 30 -4.364 10.571 1.804 1.00 0.00 S ATOM 425 CE MET A 30 -4.107 12.264 2.329 1.00 0.00 C ATOM 0 H MET A 30 -0.671 7.615 -0.141 1.00 0.00 H new ATOM 0 HA MET A 30 -3.597 8.056 -0.000 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.273 10.006 -0.066 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.899 10.483 -0.516 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.494 9.109 2.124 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.983 10.778 1.966 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.047 12.812 2.262 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.752 12.275 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.365 12.736 1.685 1.00 0.00 H new ATOM 435 N ILE A 31 -3.767 8.679 -2.481 1.00 0.00 N ATOM 436 CA ILE A 31 -3.913 8.672 -3.931 1.00 0.00 C ATOM 437 C ILE A 31 -4.683 9.897 -4.412 1.00 0.00 C ATOM 438 O ILE A 31 -5.441 10.504 -3.653 1.00 0.00 O ATOM 439 CB ILE A 31 -4.634 7.402 -4.419 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.103 7.428 -3.992 1.00 0.00 C ATOM 441 CG2 ILE A 31 -3.942 6.159 -3.879 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.297 7.605 -2.502 1.00 0.00 C ATOM 0 H ILE A 31 -4.595 8.992 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.907 8.691 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.592 7.373 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.611 8.239 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.580 6.499 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.463 5.270 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.909 6.137 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.957 6.179 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.362 7.614 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.819 6.781 -1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.850 8.548 -2.186 1.00 0.00 H new ATOM 454 N CYS A 32 -4.486 10.255 -5.676 1.00 0.00 N ATOM 455 CA CYS A 32 -5.163 11.408 -6.259 1.00 0.00 C ATOM 456 C CYS A 32 -6.302 10.965 -7.171 1.00 0.00 C ATOM 457 O CYS A 32 -6.072 10.462 -8.271 1.00 0.00 O ATOM 458 CB CYS A 32 -4.169 12.266 -7.044 1.00 0.00 C ATOM 459 SG CYS A 32 -4.745 13.949 -7.371 1.00 0.00 S ATOM 0 H CYS A 32 -3.863 9.763 -6.317 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.582 12.002 -5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.231 12.315 -6.490 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.953 11.776 -7.994 1.00 0.00 H new ATOM 0 HG CYS A 32 -3.836 14.597 -8.037 1.00 0.00 H new ATOM 465 N CYS A 33 -7.533 11.154 -6.705 1.00 0.00 N ATOM 466 CA CYS A 33 -8.710 10.773 -7.477 1.00 0.00 C ATOM 467 C CYS A 33 -8.738 11.497 -8.820 1.00 0.00 C ATOM 468 O CYS A 33 -7.994 12.454 -9.036 1.00 0.00 O ATOM 469 CB CYS A 33 -9.984 11.084 -6.690 1.00 0.00 C ATOM 470 SG CYS A 33 -11.472 10.244 -7.322 1.00 0.00 S ATOM 0 H CYS A 33 -7.741 11.569 -5.797 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.660 9.700 -7.664 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.834 10.799 -5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.154 12.161 -6.705 1.00 0.00 H new ATOM 475 N ASP A 34 -9.601 11.034 -9.717 1.00 0.00 N ATOM 476 CA ASP A 34 -9.727 11.637 -11.039 1.00 0.00 C ATOM 477 C ASP A 34 -11.039 12.406 -11.161 1.00 0.00 C ATOM 478 O ASP A 34 -11.160 13.322 -11.975 1.00 0.00 O ATOM 479 CB ASP A 34 -9.649 10.562 -12.124 1.00 0.00 C ATOM 480 CG ASP A 34 -9.970 11.106 -13.502 1.00 0.00 C ATOM 481 OD1 ASP A 34 -9.064 11.689 -14.136 1.00 0.00 O ATOM 482 OD2 ASP A 34 -11.125 10.949 -13.947 1.00 0.00 O ATOM 0 H ASP A 34 -10.224 10.243 -9.553 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.902 12.336 -11.173 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.649 10.129 -12.131 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.343 9.756 -11.884 1.00 0.00 H new ATOM 487 N ARG A 35 -12.020 12.027 -10.348 1.00 0.00 N ATOM 488 CA ARG A 35 -13.323 12.679 -10.367 1.00 0.00 C ATOM 489 C ARG A 35 -13.309 13.947 -9.518 1.00 0.00 C ATOM 490 O ARG A 35 -13.548 15.046 -10.020 1.00 0.00 O ATOM 491 CB ARG A 35 -14.403 11.723 -9.857 1.00 0.00 C ATOM 492 CG ARG A 35 -14.990 10.833 -10.940 1.00 0.00 C ATOM 493 CD ARG A 35 -16.027 11.575 -11.769 1.00 0.00 C ATOM 494 NE ARG A 35 -15.414 12.372 -12.828 1.00 0.00 N ATOM 495 CZ ARG A 35 -14.943 11.856 -13.957 1.00 0.00 C ATOM 496 NH1 ARG A 35 -15.016 10.550 -14.174 1.00 0.00 N ATOM 497 NH2 ARG A 35 -14.399 12.646 -14.874 1.00 0.00 N ATOM 0 H ARG A 35 -11.936 11.271 -9.668 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.548 12.955 -11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.980 11.095 -9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.205 12.304 -9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.192 10.474 -11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.448 9.956 -10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.719 10.858 -12.210 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.613 12.225 -11.119 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.344 13.381 -12.693 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.435 9.939 -13.473 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.653 10.156 -15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.342 13.651 -14.712 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.038 12.248 -15.741 1.00 0.00 H new ATOM 511 N CYS A 36 -13.029 13.787 -8.229 1.00 0.00 N ATOM 512 CA CYS A 36 -12.985 14.917 -7.309 1.00 0.00 C ATOM 513 C CYS A 36 -11.558 15.436 -7.153 1.00 0.00 C ATOM 514 O CYS A 36 -11.339 16.534 -6.644 1.00 0.00 O ATOM 515 CB CYS A 36 -13.544 14.513 -5.944 1.00 0.00 C ATOM 516 SG CYS A 36 -12.592 13.203 -5.109 1.00 0.00 S ATOM 0 H CYS A 36 -12.829 12.885 -7.798 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.600 15.715 -7.724 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.573 15.392 -5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.573 14.176 -6.070 1.00 0.00 H new ATOM 521 N GLU A 37 -10.592 14.637 -7.596 1.00 0.00 N ATOM 522 CA GLU A 37 -9.187 15.016 -7.505 1.00 0.00 C ATOM 523 C GLU A 37 -8.829 15.441 -6.084 1.00 0.00 C ATOM 524 O GLU A 37 -8.275 16.518 -5.869 1.00 0.00 O ATOM 525 CB GLU A 37 -8.878 16.152 -8.482 1.00 0.00 C ATOM 526 CG GLU A 37 -8.452 15.673 -9.859 1.00 0.00 C ATOM 527 CD GLU A 37 -8.253 16.813 -10.839 1.00 0.00 C ATOM 528 OE1 GLU A 37 -8.753 17.924 -10.564 1.00 0.00 O ATOM 529 OE2 GLU A 37 -7.598 16.595 -11.879 1.00 0.00 O ATOM 0 H GLU A 37 -10.757 13.724 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.585 14.146 -7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.761 16.783 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.088 16.775 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.524 15.108 -9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.205 14.990 -10.251 1.00 0.00 H new ATOM 536 N GLU A 38 -9.150 14.585 -5.118 1.00 0.00 N ATOM 537 CA GLU A 38 -8.864 14.872 -3.718 1.00 0.00 C ATOM 538 C GLU A 38 -7.901 13.841 -3.137 1.00 0.00 C ATOM 539 O GLU A 38 -7.549 12.863 -3.797 1.00 0.00 O ATOM 540 CB GLU A 38 -10.159 14.893 -2.903 1.00 0.00 C ATOM 541 CG GLU A 38 -10.831 16.256 -2.863 1.00 0.00 C ATOM 542 CD GLU A 38 -10.236 17.169 -1.809 1.00 0.00 C ATOM 543 OE1 GLU A 38 -9.663 16.649 -0.829 1.00 0.00 O ATOM 544 OE2 GLU A 38 -10.343 18.403 -1.964 1.00 0.00 O ATOM 0 H GLU A 38 -9.608 13.688 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.394 15.854 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.855 14.166 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.942 14.574 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.742 16.730 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.895 16.127 -2.667 1.00 0.00 H new ATOM 551 N TRP A 39 -7.479 14.067 -1.898 1.00 0.00 N ATOM 552 CA TRP A 39 -6.556 13.157 -1.227 1.00 0.00 C ATOM 553 C TRP A 39 -7.272 12.357 -0.145 1.00 0.00 C ATOM 554 O TRP A 39 -7.813 12.923 0.805 1.00 0.00 O ATOM 555 CB TRP A 39 -5.392 13.939 -0.616 1.00 0.00 C ATOM 556 CG TRP A 39 -4.422 14.453 -1.636 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.191 15.760 -1.962 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.553 13.672 -2.463 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.232 15.837 -2.942 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.823 14.570 -3.266 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.319 12.301 -2.602 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.879 14.140 -4.194 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.381 11.876 -3.524 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.670 12.793 -4.310 1.00 0.00 C ATOM 0 H TRP A 39 -7.761 14.871 -1.338 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.166 12.460 -1.969 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.788 14.779 -0.046 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.862 13.297 0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.689 16.607 -1.515 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.881 16.698 -3.361 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.861 11.587 -2.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.331 14.845 -4.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.193 10.819 -3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.943 12.429 -5.021 1.00 0.00 H new ATOM 575 N PHE A 40 -7.270 11.036 -0.293 1.00 0.00 N ATOM 576 CA PHE A 40 -7.920 10.158 0.672 1.00 0.00 C ATOM 577 C PHE A 40 -6.998 9.008 1.068 1.00 0.00 C ATOM 578 O PHE A 40 -5.984 8.757 0.416 1.00 0.00 O ATOM 579 CB PHE A 40 -9.224 9.605 0.093 1.00 0.00 C ATOM 580 CG PHE A 40 -10.084 10.652 -0.554 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.783 11.567 0.217 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.194 10.721 -1.934 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.575 12.532 -0.376 1.00 0.00 C ATOM 584 CE2 PHE A 40 -10.984 11.685 -2.532 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.677 12.590 -1.752 1.00 0.00 C ATOM 0 H PHE A 40 -6.825 10.551 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.146 10.743 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.988 8.835 -0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.790 9.123 0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.708 11.526 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.657 10.014 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.114 13.240 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.059 11.730 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.297 13.342 -2.217 1.00 0.00 H new ATOM 595 N HIS A 41 -7.358 8.312 2.142 1.00 0.00 N ATOM 596 CA HIS A 41 -6.564 7.188 2.625 1.00 0.00 C ATOM 597 C HIS A 41 -7.060 5.875 2.028 1.00 0.00 C ATOM 598 O HIS A 41 -8.241 5.544 2.125 1.00 0.00 O ATOM 599 CB HIS A 41 -6.616 7.119 4.152 1.00 0.00 C ATOM 600 CG HIS A 41 -6.255 8.408 4.823 1.00 0.00 C ATOM 601 ND1 HIS A 41 -7.134 9.116 5.615 1.00 0.00 N ATOM 602 CD2 HIS A 41 -5.102 9.116 4.817 1.00 0.00 C ATOM 603 CE1 HIS A 41 -6.537 10.205 6.066 1.00 0.00 C ATOM 604 NE2 HIS A 41 -5.303 10.228 5.597 1.00 0.00 N ATOM 0 H HIS A 41 -8.194 8.506 2.694 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.532 7.342 2.310 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.620 6.827 4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.938 6.338 4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.193 8.855 4.296 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.983 10.950 6.709 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.611 10.954 5.784 1.00 0.00 H new ATOM 612 N GLY A 42 -6.149 5.130 1.408 1.00 0.00 N ATOM 613 CA GLY A 42 -6.513 3.863 0.803 1.00 0.00 C ATOM 614 C GLY A 42 -7.590 3.136 1.584 1.00 0.00 C ATOM 615 O GLY A 42 -8.676 2.878 1.065 1.00 0.00 O ATOM 0 H GLY A 42 -5.165 5.382 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.861 4.037 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.629 3.230 0.734 1.00 0.00 H new ATOM 619 N ASP A 43 -7.288 2.802 2.834 1.00 0.00 N ATOM 620 CA ASP A 43 -8.239 2.100 3.688 1.00 0.00 C ATOM 621 C ASP A 43 -9.589 2.808 3.697 1.00 0.00 C ATOM 622 O ASP A 43 -10.625 2.198 3.429 1.00 0.00 O ATOM 623 CB ASP A 43 -7.695 1.995 5.114 1.00 0.00 C ATOM 624 CG ASP A 43 -6.804 0.784 5.307 1.00 0.00 C ATOM 625 OD1 ASP A 43 -7.144 -0.294 4.774 1.00 0.00 O ATOM 626 OD2 ASP A 43 -5.766 0.913 5.989 1.00 0.00 O ATOM 0 H ASP A 43 -6.393 3.006 3.278 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.379 1.097 3.285 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.133 2.898 5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.528 1.944 5.815 1.00 0.00 H new ATOM 631 N CYS A 44 -9.572 4.100 4.007 1.00 0.00 N ATOM 632 CA CYS A 44 -10.795 4.893 4.052 1.00 0.00 C ATOM 633 C CYS A 44 -11.644 4.654 2.807 1.00 0.00 C ATOM 634 O CYS A 44 -12.798 4.235 2.901 1.00 0.00 O ATOM 635 CB CYS A 44 -10.459 6.381 4.175 1.00 0.00 C ATOM 636 SG CYS A 44 -10.104 6.924 5.877 1.00 0.00 S ATOM 0 H CYS A 44 -8.724 4.621 4.231 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.367 4.583 4.926 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.595 6.601 3.547 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.293 6.964 3.785 1.00 0.00 H new ATOM 641 N VAL A 45 -11.065 4.922 1.641 1.00 0.00 N ATOM 642 CA VAL A 45 -11.768 4.735 0.377 1.00 0.00 C ATOM 643 C VAL A 45 -11.691 3.284 -0.084 1.00 0.00 C ATOM 644 O VAL A 45 -11.844 2.990 -1.269 1.00 0.00 O ATOM 645 CB VAL A 45 -11.192 5.644 -0.725 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.452 7.107 -0.401 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.703 5.385 -0.905 1.00 0.00 C ATOM 0 H VAL A 45 -10.111 5.269 1.545 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.810 5.003 0.551 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.694 5.410 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.038 7.734 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.526 7.278 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.979 7.359 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.312 6.036 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.182 5.590 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.546 4.344 -1.187 1.00 0.00 H new ATOM 657 N GLY A 46 -11.454 2.379 0.861 1.00 0.00 N ATOM 658 CA GLY A 46 -11.362 0.969 0.532 1.00 0.00 C ATOM 659 C GLY A 46 -10.043 0.612 -0.125 1.00 0.00 C ATOM 660 O GLY A 46 -9.392 -0.358 0.262 1.00 0.00 O ATOM 0 H GLY A 46 -11.324 2.598 1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.484 0.378 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.181 0.700 -0.135 1.00 0.00 H new ATOM 664 N ILE A 47 -9.650 1.396 -1.123 1.00 0.00 N ATOM 665 CA ILE A 47 -8.401 1.157 -1.836 1.00 0.00 C ATOM 666 C ILE A 47 -7.321 0.639 -0.892 1.00 0.00 C ATOM 667 O ILE A 47 -7.317 0.955 0.297 1.00 0.00 O ATOM 668 CB ILE A 47 -7.893 2.436 -2.527 1.00 0.00 C ATOM 669 CG1 ILE A 47 -8.904 2.914 -3.571 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.537 2.188 -3.169 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.047 1.973 -4.747 1.00 0.00 C ATOM 0 H ILE A 47 -10.178 2.202 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.610 0.403 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.780 3.217 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.876 3.037 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.601 3.896 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.191 3.101 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.821 1.890 -2.403 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.626 1.395 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.780 2.374 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.085 1.869 -5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.380 0.997 -4.394 1.00 0.00 H new ATOM 683 N SER A 48 -6.404 -0.158 -1.432 1.00 0.00 N ATOM 684 CA SER A 48 -5.318 -0.722 -0.639 1.00 0.00 C ATOM 685 C SER A 48 -3.965 -0.408 -1.269 1.00 0.00 C ATOM 686 O SER A 48 -3.864 -0.202 -2.478 1.00 0.00 O ATOM 687 CB SER A 48 -5.491 -2.236 -0.502 1.00 0.00 C ATOM 688 OG SER A 48 -6.379 -2.555 0.555 1.00 0.00 O ATOM 0 H SER A 48 -6.392 -0.428 -2.416 1.00 0.00 H new ATOM 0 HA SER A 48 -5.351 -0.269 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.871 -2.648 -1.437 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.522 -2.701 -0.320 1.00 0.00 H new ATOM 0 HG SER A 48 -6.474 -3.528 0.620 1.00 0.00 H new ATOM 694 N GLU A 49 -2.927 -0.373 -0.439 1.00 0.00 N ATOM 695 CA GLU A 49 -1.579 -0.083 -0.914 1.00 0.00 C ATOM 696 C GLU A 49 -1.244 -0.922 -2.145 1.00 0.00 C ATOM 697 O GLU A 49 -0.667 -0.423 -3.110 1.00 0.00 O ATOM 698 CB GLU A 49 -0.556 -0.349 0.192 1.00 0.00 C ATOM 699 CG GLU A 49 0.788 0.317 -0.049 1.00 0.00 C ATOM 700 CD GLU A 49 1.745 -0.564 -0.828 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.522 -1.792 -0.869 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.717 -0.024 -1.397 1.00 0.00 O ATOM 0 H GLU A 49 -2.994 -0.542 0.565 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.538 0.970 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.961 0.002 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.407 -1.425 0.287 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.635 1.250 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.238 0.577 0.909 1.00 0.00 H new ATOM 709 N ALA A 50 -1.610 -2.199 -2.100 1.00 0.00 N ATOM 710 CA ALA A 50 -1.350 -3.106 -3.211 1.00 0.00 C ATOM 711 C ALA A 50 -2.112 -2.677 -4.460 1.00 0.00 C ATOM 712 O ALA A 50 -1.632 -2.850 -5.581 1.00 0.00 O ATOM 713 CB ALA A 50 -1.722 -4.531 -2.827 1.00 0.00 C ATOM 0 H ALA A 50 -2.087 -2.628 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.284 -3.068 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.523 -5.198 -3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.129 -4.843 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.781 -4.575 -2.573 1.00 0.00 H new ATOM 719 N ARG A 51 -3.301 -2.118 -4.260 1.00 0.00 N ATOM 720 CA ARG A 51 -4.129 -1.667 -5.371 1.00 0.00 C ATOM 721 C ARG A 51 -3.586 -0.369 -5.962 1.00 0.00 C ATOM 722 O ARG A 51 -3.198 -0.321 -7.129 1.00 0.00 O ATOM 723 CB ARG A 51 -5.574 -1.464 -4.909 1.00 0.00 C ATOM 724 CG ARG A 51 -6.461 -2.677 -5.132 1.00 0.00 C ATOM 725 CD ARG A 51 -6.728 -2.907 -6.612 1.00 0.00 C ATOM 726 NE ARG A 51 -7.309 -4.223 -6.865 1.00 0.00 N ATOM 727 CZ ARG A 51 -7.591 -4.680 -8.080 1.00 0.00 C ATOM 728 NH1 ARG A 51 -7.346 -3.932 -9.147 1.00 0.00 N ATOM 729 NH2 ARG A 51 -8.119 -5.888 -8.229 1.00 0.00 N ATOM 0 H ARG A 51 -3.712 -1.967 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.106 -2.436 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.575 -1.214 -3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.999 -0.611 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.986 -3.560 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.407 -2.539 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.403 -2.135 -6.983 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.796 -2.809 -7.168 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.509 -4.824 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.940 -3.003 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.564 -4.286 -10.079 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.309 -6.466 -7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.335 -6.238 -9.162 1.00 0.00 H new ATOM 743 N GLY A 52 -3.562 0.682 -5.148 1.00 0.00 N ATOM 744 CA GLY A 52 -3.066 1.966 -5.608 1.00 0.00 C ATOM 745 C GLY A 52 -1.697 1.861 -6.252 1.00 0.00 C ATOM 746 O GLY A 52 -1.370 2.628 -7.157 1.00 0.00 O ATOM 0 H GLY A 52 -3.877 0.667 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.770 2.389 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.016 2.656 -4.766 1.00 0.00 H new ATOM 750 N ARG A 53 -0.896 0.911 -5.783 1.00 0.00 N ATOM 751 CA ARG A 53 0.446 0.711 -6.317 1.00 0.00 C ATOM 752 C ARG A 53 0.400 0.449 -7.820 1.00 0.00 C ATOM 753 O ARG A 53 1.045 1.148 -8.602 1.00 0.00 O ATOM 754 CB ARG A 53 1.132 -0.457 -5.606 1.00 0.00 C ATOM 755 CG ARG A 53 1.927 -0.041 -4.379 1.00 0.00 C ATOM 756 CD ARG A 53 3.316 0.449 -4.756 1.00 0.00 C ATOM 757 NE ARG A 53 4.212 0.493 -3.603 1.00 0.00 N ATOM 758 CZ ARG A 53 5.303 1.249 -3.549 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.632 2.020 -4.577 1.00 0.00 N ATOM 760 NH2 ARG A 53 6.069 1.235 -2.465 1.00 0.00 N ATOM 0 H ARG A 53 -1.152 0.267 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 53 1.019 1.622 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.377 -1.185 -5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.799 -0.958 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.393 0.747 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.011 -0.885 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.737 -0.207 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.243 1.443 -5.196 1.00 0.00 H new ATOM 0 HE ARG A 53 3.988 -0.088 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.047 2.034 -5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.470 2.599 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.820 0.643 -1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.906 1.816 -2.425 1.00 0.00 H new ATOM 774 N LEU A 54 -0.367 -0.561 -8.216 1.00 0.00 N ATOM 775 CA LEU A 54 -0.497 -0.915 -9.625 1.00 0.00 C ATOM 776 C LEU A 54 -1.389 0.082 -10.357 1.00 0.00 C ATOM 777 O LEU A 54 -1.068 0.524 -11.461 1.00 0.00 O ATOM 778 CB LEU A 54 -1.070 -2.327 -9.765 1.00 0.00 C ATOM 779 CG LEU A 54 -0.064 -3.473 -9.661 1.00 0.00 C ATOM 780 CD1 LEU A 54 -0.767 -4.769 -9.290 1.00 0.00 C ATOM 781 CD2 LEU A 54 0.699 -3.633 -10.968 1.00 0.00 C ATOM 0 H LEU A 54 -0.908 -1.149 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 54 0.495 -0.885 -10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.830 -2.467 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.574 -2.399 -10.729 1.00 0.00 H new ATOM 0 HG LEU A 54 0.650 -3.233 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.035 -5.573 -9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.267 -4.650 -8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.504 -5.015 -10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.411 -4.453 -10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.002 -3.850 -11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.235 -2.711 -11.191 1.00 0.00 H new ATOM 793 N LEU A 55 -2.508 0.436 -9.734 1.00 0.00 N ATOM 794 CA LEU A 55 -3.445 1.384 -10.326 1.00 0.00 C ATOM 795 C LEU A 55 -2.704 2.507 -11.044 1.00 0.00 C ATOM 796 O LEU A 55 -3.233 3.118 -11.972 1.00 0.00 O ATOM 797 CB LEU A 55 -4.358 1.969 -9.247 1.00 0.00 C ATOM 798 CG LEU A 55 -5.381 1.008 -8.639 1.00 0.00 C ATOM 799 CD1 LEU A 55 -5.889 1.541 -7.309 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.538 0.782 -9.602 1.00 0.00 C ATOM 0 H LEU A 55 -2.788 0.081 -8.820 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.051 0.849 -11.057 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.733 2.359 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.894 2.817 -9.674 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.891 0.051 -8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.616 0.844 -6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.053 1.651 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.363 2.511 -7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.256 0.096 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.027 1.733 -9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.160 0.355 -10.531 1.00 0.00 H new ATOM 812 N GLU A 56 -1.476 2.772 -10.609 1.00 0.00 N ATOM 813 CA GLU A 56 -0.662 3.820 -11.212 1.00 0.00 C ATOM 814 C GLU A 56 0.112 3.285 -12.414 1.00 0.00 C ATOM 815 O GLU A 56 -0.192 3.617 -13.559 1.00 0.00 O ATOM 816 CB GLU A 56 0.311 4.398 -10.182 1.00 0.00 C ATOM 817 CG GLU A 56 -0.245 5.592 -9.423 1.00 0.00 C ATOM 818 CD GLU A 56 0.452 5.815 -8.095 1.00 0.00 C ATOM 819 OE1 GLU A 56 1.611 6.281 -8.104 1.00 0.00 O ATOM 820 OE2 GLU A 56 -0.161 5.524 -7.047 1.00 0.00 O ATOM 0 H GLU A 56 -1.024 2.275 -9.842 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.330 4.611 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.579 3.618 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.229 4.696 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.144 6.487 -10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.311 5.443 -9.249 1.00 0.00 H new ATOM 827 N ARG A 57 1.114 2.455 -12.143 1.00 0.00 N ATOM 828 CA ARG A 57 1.933 1.874 -13.200 1.00 0.00 C ATOM 829 C ARG A 57 1.059 1.240 -14.278 1.00 0.00 C ATOM 830 O ARG A 57 1.277 1.451 -15.471 1.00 0.00 O ATOM 831 CB ARG A 57 2.886 0.828 -12.620 1.00 0.00 C ATOM 832 CG ARG A 57 2.262 -0.024 -11.526 1.00 0.00 C ATOM 833 CD ARG A 57 3.180 -1.166 -11.118 1.00 0.00 C ATOM 834 NE ARG A 57 3.018 -1.522 -9.711 1.00 0.00 N ATOM 835 CZ ARG A 57 3.963 -2.115 -8.990 1.00 0.00 C ATOM 836 NH1 ARG A 57 5.130 -2.418 -9.540 1.00 0.00 N ATOM 837 NH2 ARG A 57 3.740 -2.407 -7.715 1.00 0.00 N ATOM 0 H ARG A 57 1.378 2.170 -11.200 1.00 0.00 H new ATOM 0 HA ARG A 57 2.517 2.674 -13.654 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.231 0.177 -13.424 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.765 1.332 -12.219 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.045 0.598 -10.658 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.311 -0.427 -11.875 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.972 -2.038 -11.739 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.216 -0.882 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 57 2.131 -1.303 -9.257 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.305 -2.196 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.853 -2.873 -8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.843 -2.176 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.466 -2.862 -7.162 1.00 0.00 H new ATOM 851 N ASN A 58 0.070 0.463 -13.850 1.00 0.00 N ATOM 852 CA ASN A 58 -0.836 -0.203 -14.779 1.00 0.00 C ATOM 853 C ASN A 58 -1.548 0.813 -15.667 1.00 0.00 C ATOM 854 O ASN A 58 -1.591 0.664 -16.887 1.00 0.00 O ATOM 855 CB ASN A 58 -1.865 -1.035 -14.011 1.00 0.00 C ATOM 856 CG ASN A 58 -1.338 -2.408 -13.640 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.189 -2.743 -13.930 1.00 0.00 O ATOM 858 ND2 ASN A 58 -2.177 -3.210 -12.996 1.00 0.00 N ATOM 0 H ASN A 58 -0.125 0.279 -12.866 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.245 -0.863 -15.414 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.155 -0.503 -13.105 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.764 -1.146 -14.617 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.878 -4.146 -12.721 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.120 -2.891 -12.776 1.00 0.00 H new ATOM 865 N GLY A 59 -2.105 1.848 -15.045 1.00 0.00 N ATOM 866 CA GLY A 59 -2.806 2.874 -15.794 1.00 0.00 C ATOM 867 C GLY A 59 -4.307 2.815 -15.591 1.00 0.00 C ATOM 868 O GLY A 59 -5.075 3.088 -16.513 1.00 0.00 O ATOM 0 H GLY A 59 -2.083 1.994 -14.036 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.440 3.855 -15.491 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.581 2.763 -16.855 1.00 0.00 H new ATOM 872 N GLU A 60 -4.726 2.458 -14.381 1.00 0.00 N ATOM 873 CA GLU A 60 -6.146 2.362 -14.062 1.00 0.00 C ATOM 874 C GLU A 60 -6.629 3.622 -13.349 1.00 0.00 C ATOM 875 O GLU A 60 -5.835 4.501 -13.012 1.00 0.00 O ATOM 876 CB GLU A 60 -6.413 1.134 -13.188 1.00 0.00 C ATOM 877 CG GLU A 60 -6.176 -0.185 -13.904 1.00 0.00 C ATOM 878 CD GLU A 60 -6.424 -1.385 -13.011 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.510 -1.456 -12.399 1.00 0.00 O ATOM 880 OE2 GLU A 60 -5.531 -2.255 -12.926 1.00 0.00 O ATOM 0 H GLU A 60 -4.103 2.231 -13.606 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.697 2.260 -14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.773 1.180 -12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.444 1.166 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.828 -0.244 -14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.150 -0.216 -14.271 1.00 0.00 H new ATOM 887 N ASP A 61 -7.936 3.702 -13.123 1.00 0.00 N ATOM 888 CA ASP A 61 -8.526 4.853 -12.451 1.00 0.00 C ATOM 889 C ASP A 61 -9.184 4.437 -11.139 1.00 0.00 C ATOM 890 O ASP A 61 -10.263 3.844 -11.134 1.00 0.00 O ATOM 891 CB ASP A 61 -9.554 5.530 -13.359 1.00 0.00 C ATOM 892 CG ASP A 61 -10.674 4.592 -13.766 1.00 0.00 C ATOM 893 OD1 ASP A 61 -10.371 3.455 -14.186 1.00 0.00 O ATOM 894 OD2 ASP A 61 -11.852 4.994 -13.665 1.00 0.00 O ATOM 0 H ASP A 61 -8.606 2.983 -13.395 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.728 5.561 -12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.976 6.393 -12.845 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.055 5.904 -14.253 1.00 0.00 H new ATOM 899 N TYR A 62 -8.527 4.751 -10.028 1.00 0.00 N ATOM 900 CA TYR A 62 -9.046 4.407 -8.710 1.00 0.00 C ATOM 901 C TYR A 62 -10.122 5.397 -8.272 1.00 0.00 C ATOM 902 O TYR A 62 -10.061 5.953 -7.176 1.00 0.00 O ATOM 903 CB TYR A 62 -7.913 4.382 -7.683 1.00 0.00 C ATOM 904 CG TYR A 62 -6.948 5.539 -7.817 1.00 0.00 C ATOM 905 CD1 TYR A 62 -5.898 5.492 -8.725 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.088 6.680 -7.036 1.00 0.00 C ATOM 907 CE1 TYR A 62 -5.015 6.546 -8.851 1.00 0.00 C ATOM 908 CE2 TYR A 62 -6.210 7.739 -7.155 1.00 0.00 C ATOM 909 CZ TYR A 62 -5.174 7.668 -8.064 1.00 0.00 C ATOM 910 OH TYR A 62 -4.297 8.720 -8.187 1.00 0.00 O ATOM 0 H TYR A 62 -7.634 5.243 -10.014 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.494 3.415 -8.772 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.342 4.392 -6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.362 3.447 -7.785 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -5.770 4.616 -9.343 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.898 6.739 -6.324 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.204 6.492 -9.562 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.333 8.618 -6.540 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.775 9.506 -8.525 1.00 0.00 H new ATOM 920 N ILE A 63 -11.107 5.611 -9.138 1.00 0.00 N ATOM 921 CA ILE A 63 -12.198 6.531 -8.842 1.00 0.00 C ATOM 922 C ILE A 63 -12.748 6.298 -7.439 1.00 0.00 C ATOM 923 O ILE A 63 -13.579 5.414 -7.226 1.00 0.00 O ATOM 924 CB ILE A 63 -13.344 6.392 -9.861 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.860 6.773 -11.262 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.526 7.258 -9.450 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.249 8.155 -11.335 1.00 0.00 C ATOM 0 H ILE A 63 -11.172 5.160 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.787 7.539 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.669 5.352 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -12.124 6.041 -11.595 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.700 6.719 -11.955 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.328 7.149 -10.180 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.883 6.944 -8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.215 8.302 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.928 8.358 -12.357 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -12.989 8.896 -11.033 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.389 8.208 -10.668 1.00 0.00 H new ATOM 939 N CYS A 64 -12.281 7.097 -6.486 1.00 0.00 N ATOM 940 CA CYS A 64 -12.727 6.980 -5.103 1.00 0.00 C ATOM 941 C CYS A 64 -14.216 6.651 -5.037 1.00 0.00 C ATOM 942 O CYS A 64 -14.979 6.925 -5.964 1.00 0.00 O ATOM 943 CB CYS A 64 -12.446 8.277 -4.342 1.00 0.00 C ATOM 944 SG CYS A 64 -13.821 9.471 -4.374 1.00 0.00 S ATOM 0 H CYS A 64 -11.593 7.833 -6.646 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.172 6.166 -4.637 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.214 8.034 -3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.559 8.749 -4.765 1.00 0.00 H new ATOM 949 N PRO A 65 -14.641 6.051 -3.916 1.00 0.00 N ATOM 950 CA PRO A 65 -16.041 5.673 -3.701 1.00 0.00 C ATOM 951 C PRO A 65 -16.946 6.886 -3.511 1.00 0.00 C ATOM 952 O PRO A 65 -17.964 7.024 -4.188 1.00 0.00 O ATOM 953 CB PRO A 65 -15.990 4.837 -2.420 1.00 0.00 C ATOM 954 CG PRO A 65 -14.776 5.316 -1.703 1.00 0.00 C ATOM 955 CD PRO A 65 -13.786 5.694 -2.770 1.00 0.00 C ATOM 0 HA PRO A 65 -16.456 5.141 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.887 4.980 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.923 3.772 -2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.010 6.170 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.373 4.538 -1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.160 6.530 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.117 4.867 -3.009 1.00 0.00 H new ATOM 963 N ASN A 66 -16.567 7.761 -2.586 1.00 0.00 N ATOM 964 CA ASN A 66 -17.345 8.963 -2.307 1.00 0.00 C ATOM 965 C ASN A 66 -17.843 9.601 -3.600 1.00 0.00 C ATOM 966 O ASN A 66 -18.898 10.235 -3.626 1.00 0.00 O ATOM 967 CB ASN A 66 -16.504 9.969 -1.520 1.00 0.00 C ATOM 968 CG ASN A 66 -16.124 9.455 -0.144 1.00 0.00 C ATOM 969 OD1 ASN A 66 -15.055 8.872 0.039 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.000 9.670 0.830 1.00 0.00 N ATOM 0 H ASN A 66 -15.726 7.661 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.209 8.675 -1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.599 10.199 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.060 10.901 -1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -16.799 9.347 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.874 10.158 0.632 1.00 0.00 H new ATOM 977 N CYS A 67 -17.077 9.428 -4.672 1.00 0.00 N ATOM 978 CA CYS A 67 -17.439 9.986 -5.969 1.00 0.00 C ATOM 979 C CYS A 67 -18.588 9.202 -6.597 1.00 0.00 C ATOM 980 O CYS A 67 -19.670 9.741 -6.829 1.00 0.00 O ATOM 981 CB CYS A 67 -16.230 9.978 -6.906 1.00 0.00 C ATOM 982 SG CYS A 67 -15.233 11.502 -6.846 1.00 0.00 S ATOM 0 H CYS A 67 -16.201 8.905 -4.668 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.765 11.015 -5.816 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.594 9.130 -6.653 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.577 9.823 -7.928 1.00 0.00 H new ATOM 987 N THR A 68 -18.345 7.923 -6.871 1.00 0.00 N ATOM 988 CA THR A 68 -19.357 7.065 -7.472 1.00 0.00 C ATOM 989 C THR A 68 -20.590 6.960 -6.581 1.00 0.00 C ATOM 990 O THR A 68 -21.716 7.162 -7.037 1.00 0.00 O ATOM 991 CB THR A 68 -18.808 5.650 -7.738 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.556 5.732 -8.427 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.793 4.833 -8.561 1.00 0.00 C ATOM 0 H THR A 68 -17.455 7.460 -6.686 1.00 0.00 H new ATOM 0 HA THR A 68 -19.636 7.523 -8.421 1.00 0.00 H new ATOM 0 HB THR A 68 -18.662 5.154 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.213 4.829 -8.591 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.384 3.838 -8.736 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.736 4.748 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 68 -19.966 5.327 -9.517 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.369 6.644 -5.309 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.463 6.515 -4.354 1.00 0.00 C ATOM 1003 C ILE A 69 -22.490 7.627 -4.542 1.00 0.00 C ATOM 1004 O ILE A 69 -23.694 7.371 -4.599 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.949 6.546 -2.903 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -20.184 5.260 -2.583 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.108 6.734 -1.935 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.701 5.185 -1.151 1.00 0.00 C ATOM 0 H ILE A 69 -19.443 6.473 -4.916 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.936 5.551 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.268 7.389 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.827 4.404 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.327 5.181 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.729 6.754 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.615 7.674 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.811 5.909 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.167 4.247 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -19.032 6.021 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.555 5.232 -0.476 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.008 8.861 -4.638 1.00 0.00 N ATOM 1021 CA LEU A 70 -22.884 10.012 -4.821 1.00 0.00 C ATOM 1022 C LEU A 70 -23.558 9.972 -6.189 1.00 0.00 C ATOM 1023 O LEU A 70 -24.780 10.073 -6.293 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.090 11.311 -4.669 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.529 11.596 -3.275 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.474 12.688 -3.337 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.648 11.985 -2.319 1.00 0.00 C ATOM 0 H LEU A 70 -21.015 9.090 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.658 9.974 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.260 11.291 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -22.733 12.142 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.059 10.687 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -20.087 12.877 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.659 12.370 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -20.919 13.601 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -22.231 12.184 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -23.148 12.880 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.368 11.170 -2.251 1.00 0.00 H new ATOM 1039 N SER A 71 -22.752 9.822 -7.235 1.00 0.00 N ATOM 1040 CA SER A 71 -23.270 9.770 -8.597 1.00 0.00 C ATOM 1041 C SER A 71 -23.233 8.344 -9.138 1.00 0.00 C ATOM 1042 O SER A 71 -22.183 7.849 -9.545 1.00 0.00 O ATOM 1043 CB SER A 71 -22.461 10.694 -9.509 1.00 0.00 C ATOM 1044 OG SER A 71 -22.724 10.422 -10.875 1.00 0.00 O ATOM 0 H SER A 71 -21.738 9.734 -7.165 1.00 0.00 H new ATOM 0 HA SER A 71 -24.307 10.107 -8.578 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.706 11.733 -9.288 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.397 10.568 -9.308 1.00 0.00 H new ATOM 0 HG SER A 71 -22.196 11.027 -11.437 1.00 0.00 H new ATOM 1050 N GLY A 72 -24.390 7.687 -9.139 1.00 0.00 N ATOM 1051 CA GLY A 72 -24.469 6.324 -9.632 1.00 0.00 C ATOM 1052 C GLY A 72 -24.084 6.213 -11.094 1.00 0.00 C ATOM 1053 O GLY A 72 -23.644 7.179 -11.717 1.00 0.00 O ATOM 0 H GLY A 72 -25.273 8.075 -8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.814 5.687 -9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.484 5.950 -9.497 1.00 0.00 H new ATOM 1057 N PRO A 73 -24.248 5.010 -11.663 1.00 0.00 N ATOM 1058 CA PRO A 73 -23.919 4.747 -13.067 1.00 0.00 C ATOM 1059 C PRO A 73 -24.880 5.440 -14.027 1.00 0.00 C ATOM 1060 O PRO A 73 -25.876 4.857 -14.452 1.00 0.00 O ATOM 1061 CB PRO A 73 -24.052 3.226 -13.183 1.00 0.00 C ATOM 1062 CG PRO A 73 -25.007 2.846 -12.105 1.00 0.00 C ATOM 1063 CD PRO A 73 -24.767 3.813 -10.979 1.00 0.00 C ATOM 0 HA PRO A 73 -22.931 5.124 -13.332 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -24.427 2.935 -14.164 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -23.089 2.733 -13.051 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -26.037 2.905 -12.457 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -24.840 1.819 -11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -25.685 4.029 -10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -24.051 3.420 -10.257 1.00 0.00 H new ATOM 1071 N SER A 74 -24.572 6.689 -14.365 1.00 0.00 N ATOM 1072 CA SER A 74 -25.411 7.463 -15.273 1.00 0.00 C ATOM 1073 C SER A 74 -24.597 7.983 -16.454 1.00 0.00 C ATOM 1074 O SER A 74 -23.868 8.967 -16.334 1.00 0.00 O ATOM 1075 CB SER A 74 -26.057 8.634 -14.530 1.00 0.00 C ATOM 1076 OG SER A 74 -26.945 9.346 -15.374 1.00 0.00 O ATOM 0 H SER A 74 -23.749 7.186 -14.024 1.00 0.00 H new ATOM 0 HA SER A 74 -26.194 6.807 -15.654 1.00 0.00 H new ATOM 0 HB2 SER A 74 -26.597 8.263 -13.659 1.00 0.00 H new ATOM 0 HB3 SER A 74 -25.283 9.307 -14.162 1.00 0.00 H new ATOM 0 HG SER A 74 -27.346 10.088 -14.875 1.00 0.00 H new ATOM 1082 N SER A 75 -24.727 7.313 -17.594 1.00 0.00 N ATOM 1083 CA SER A 75 -24.001 7.704 -18.797 1.00 0.00 C ATOM 1084 C SER A 75 -24.461 9.073 -19.289 1.00 0.00 C ATOM 1085 O SER A 75 -23.645 9.946 -19.581 1.00 0.00 O ATOM 1086 CB SER A 75 -24.200 6.661 -19.899 1.00 0.00 C ATOM 1087 OG SER A 75 -23.420 5.503 -19.652 1.00 0.00 O ATOM 0 H SER A 75 -25.328 6.497 -17.710 1.00 0.00 H new ATOM 0 HA SER A 75 -22.941 7.764 -18.549 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.253 6.388 -19.959 1.00 0.00 H new ATOM 0 HB3 SER A 75 -23.926 7.089 -20.863 1.00 0.00 H new ATOM 0 HG SER A 75 -23.566 4.851 -20.369 1.00 0.00 H new ATOM 1093 N GLY A 76 -25.776 9.253 -19.377 1.00 0.00 N ATOM 1094 CA GLY A 76 -26.323 10.517 -19.833 1.00 0.00 C ATOM 1095 C GLY A 76 -26.231 10.679 -21.337 1.00 0.00 C ATOM 1096 O GLY A 76 -27.205 10.389 -22.031 1.00 0.00 O ATOM 0 H GLY A 76 -26.472 8.546 -19.140 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -27.366 10.590 -19.526 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -25.790 11.336 -19.349 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -9.457 9.158 5.785 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.137 11.087 -5.911 1.00 0.00 ZN