USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 801 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 7 ASN : amide:sc= -0.988 X(o=0.22,f=0.23) USER MOD Set 1.2: A 62 SER OG : rot 82:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.686 USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= 0.75 (180deg=0.283) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -118:sc= 1.3 USER MOD Single : A 19 SER OG : rot 180:sc= 0.452 USER MOD Single : A 48 TYR OH : rot -4:sc= 1.02 USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0385) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot -166:sc= -0.0462 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 1.44 (180deg=0.123) USER MOD Single : A 58 ASN : amide:sc= -0.133 K(o=-0.13,f=-9.9!) USER MOD Single : A 59 THR OG1 : rot 85:sc= 0.977 USER MOD Single : A 64 ASN : amide:sc= 0.35 K(o=0.35,f=-7.8!) USER MOD Single : A 67 SER OG : rot 78:sc= 1.25 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.162 USER MOD Single : A 76 THR OG1 : rot 104:sc= 1.24 USER MOD Single : A 78 MET CE :methyl 129:sc= -0.625 (180deg=-1.28) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.105 USER MOD Single : A 88 THR OG1 : rot 98:sc= 0.828 USER MOD Single : A 95 LYS NZ :NH3+ -175:sc= 0.238 (180deg=0.196) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 101 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 104 LYS NZ :NH3+ 146:sc= -0.0961 (180deg=-1.07) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.517 -1.305 -9.388 1.00 0.00 N ATOM 36 CA ALA A 3 -2.712 -0.743 -8.322 1.00 0.00 C ATOM 37 C ALA A 3 -1.414 -0.277 -8.985 1.00 0.00 C ATOM 38 O ALA A 3 -0.809 -1.052 -9.736 1.00 0.00 O ATOM 39 CB ALA A 3 -2.423 -1.811 -7.271 1.00 0.00 C ATOM 0 HA ALA A 3 -3.219 0.080 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.818 -1.382 -6.473 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.362 -2.178 -6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.882 -2.638 -7.732 1.00 0.00 H new ATOM 45 N GLY A 4 -0.995 0.968 -8.750 1.00 0.00 N ATOM 46 CA GLY A 4 0.216 1.489 -9.371 1.00 0.00 C ATOM 47 C GLY A 4 1.477 0.919 -8.717 1.00 0.00 C ATOM 48 O GLY A 4 1.405 0.108 -7.794 1.00 0.00 O ATOM 0 H GLY A 4 -1.475 1.627 -8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.215 1.245 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.226 2.576 -9.294 1.00 0.00 H new ATOM 52 N ALA A 5 2.645 1.372 -9.176 1.00 0.00 N ATOM 53 CA ALA A 5 3.944 1.008 -8.628 1.00 0.00 C ATOM 54 C ALA A 5 4.640 2.311 -8.245 1.00 0.00 C ATOM 55 O ALA A 5 4.551 3.274 -9.006 1.00 0.00 O ATOM 56 CB ALA A 5 4.753 0.234 -9.670 1.00 0.00 C ATOM 0 H ALA A 5 2.710 2.020 -9.961 1.00 0.00 H new ATOM 0 HA ALA A 5 3.844 0.362 -7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.723 -0.034 -9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.215 -0.672 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.898 0.856 -10.553 1.00 0.00 H new ATOM 62 N VAL A 6 5.290 2.366 -7.078 1.00 0.00 N ATOM 63 CA VAL A 6 5.979 3.566 -6.611 1.00 0.00 C ATOM 64 C VAL A 6 7.363 3.230 -6.066 1.00 0.00 C ATOM 65 O VAL A 6 7.691 2.071 -5.806 1.00 0.00 O ATOM 66 CB VAL A 6 5.150 4.309 -5.540 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.142 5.255 -6.186 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.438 3.372 -4.560 1.00 0.00 C ATOM 0 H VAL A 6 5.351 1.578 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 6 6.098 4.226 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 6 5.869 4.886 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.572 5.765 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.670 5.992 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.462 4.685 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.875 3.962 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.755 2.723 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.176 2.764 -4.037 1.00 0.00 H new ATOM 78 N ASN A 7 8.159 4.288 -5.908 1.00 0.00 N ATOM 79 CA ASN A 7 9.490 4.296 -5.326 1.00 0.00 C ATOM 80 C ASN A 7 9.621 5.624 -4.592 1.00 0.00 C ATOM 81 O ASN A 7 8.753 6.480 -4.737 1.00 0.00 O ATOM 82 CB ASN A 7 10.554 4.142 -6.421 1.00 0.00 C ATOM 83 CG ASN A 7 12.001 4.349 -5.973 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.698 5.214 -6.490 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.456 3.581 -4.988 1.00 0.00 N ATOM 0 H ASN A 7 7.867 5.219 -6.204 1.00 0.00 H new ATOM 0 HA ASN A 7 9.639 3.463 -4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.465 3.144 -6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.334 4.853 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.408 3.704 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.853 2.869 -4.577 1.00 0.00 H new ATOM 92 N ASP A 8 10.703 5.799 -3.837 1.00 0.00 N ATOM 93 CA ASP A 8 10.999 6.976 -3.021 1.00 0.00 C ATOM 94 C ASP A 8 10.601 8.281 -3.705 1.00 0.00 C ATOM 95 O ASP A 8 9.969 9.143 -3.102 1.00 0.00 O ATOM 96 CB ASP A 8 12.502 7.024 -2.751 1.00 0.00 C ATOM 97 CG ASP A 8 12.844 8.173 -1.808 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.721 7.965 -0.582 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.211 9.246 -2.333 1.00 0.00 O ATOM 0 H ASP A 8 11.433 5.090 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 8 10.422 6.885 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.829 6.080 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.042 7.145 -3.690 1.00 0.00 H new ATOM 104 N ASP A 9 11.001 8.410 -4.968 1.00 0.00 N ATOM 105 CA ASP A 9 10.694 9.569 -5.792 1.00 0.00 C ATOM 106 C ASP A 9 9.180 9.759 -5.935 1.00 0.00 C ATOM 107 O ASP A 9 8.591 10.651 -5.330 1.00 0.00 O ATOM 108 CB ASP A 9 11.346 9.389 -7.168 1.00 0.00 C ATOM 109 CG ASP A 9 10.945 10.515 -8.115 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.393 11.653 -7.864 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.189 10.213 -9.064 1.00 0.00 O ATOM 0 H ASP A 9 11.554 7.702 -5.451 1.00 0.00 H new ATOM 0 HA ASP A 9 11.092 10.463 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.430 9.369 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.050 8.430 -7.592 1.00 0.00 H new ATOM 116 N THR A 10 8.547 8.904 -6.738 1.00 0.00 N ATOM 117 CA THR A 10 7.129 8.972 -7.062 1.00 0.00 C ATOM 118 C THR A 10 6.257 9.033 -5.805 1.00 0.00 C ATOM 119 O THR A 10 5.253 9.743 -5.799 1.00 0.00 O ATOM 120 CB THR A 10 6.783 7.777 -7.962 1.00 0.00 C ATOM 121 OG1 THR A 10 7.344 6.582 -7.448 1.00 0.00 O ATOM 122 CG2 THR A 10 7.351 7.998 -9.368 1.00 0.00 C ATOM 0 H THR A 10 9.023 8.124 -7.192 1.00 0.00 H new ATOM 0 HA THR A 10 6.918 9.896 -7.600 1.00 0.00 H new ATOM 0 HB THR A 10 5.697 7.691 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.395 5.911 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.101 7.146 -10.000 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.922 8.904 -9.795 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.435 8.101 -9.311 1.00 0.00 H new ATOM 130 N PHE A 11 6.654 8.323 -4.744 1.00 0.00 N ATOM 131 CA PHE A 11 6.009 8.294 -3.433 1.00 0.00 C ATOM 132 C PHE A 11 5.555 9.688 -3.005 1.00 0.00 C ATOM 133 O PHE A 11 4.432 9.900 -2.554 1.00 0.00 O ATOM 134 CB PHE A 11 7.018 7.766 -2.407 1.00 0.00 C ATOM 135 CG PHE A 11 6.457 7.457 -1.040 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.840 6.217 -0.808 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.652 8.352 0.026 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.388 5.884 0.480 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.222 8.010 1.318 1.00 0.00 C ATOM 140 CZ PHE A 11 5.572 6.785 1.542 1.00 0.00 C ATOM 0 H PHE A 11 7.478 7.722 -4.782 1.00 0.00 H new ATOM 0 HA PHE A 11 5.131 7.651 -3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.474 6.860 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.814 8.502 -2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.713 5.518 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.133 9.303 -0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.900 4.936 0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.391 8.689 2.140 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.214 6.536 2.530 1.00 0.00 H new ATOM 150 N LYS A 12 6.457 10.645 -3.167 1.00 0.00 N ATOM 151 CA LYS A 12 6.253 12.048 -2.823 1.00 0.00 C ATOM 152 C LYS A 12 4.934 12.572 -3.403 1.00 0.00 C ATOM 153 O LYS A 12 4.137 13.210 -2.716 1.00 0.00 O ATOM 154 CB LYS A 12 7.426 12.879 -3.365 1.00 0.00 C ATOM 155 CG LYS A 12 8.790 12.437 -2.810 1.00 0.00 C ATOM 156 CD LYS A 12 9.043 12.876 -1.360 1.00 0.00 C ATOM 157 CE LYS A 12 9.572 11.719 -0.498 1.00 0.00 C ATOM 158 NZ LYS A 12 10.797 11.111 -1.055 1.00 0.00 N ATOM 0 H LYS A 12 7.383 10.462 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 12 6.205 12.137 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.443 12.806 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.264 13.928 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.860 11.351 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.578 12.842 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.761 13.696 -1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.117 13.257 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.777 12.085 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.800 10.955 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.324 10.634 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.539 10.418 -1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.392 11.853 -1.476 1.00 0.00 H new ATOM 172 N ASN A 13 4.707 12.298 -4.684 1.00 0.00 N ATOM 173 CA ASN A 13 3.539 12.756 -5.412 1.00 0.00 C ATOM 174 C ASN A 13 2.362 11.810 -5.214 1.00 0.00 C ATOM 175 O ASN A 13 1.286 12.208 -4.780 1.00 0.00 O ATOM 176 CB ASN A 13 3.899 12.819 -6.901 1.00 0.00 C ATOM 177 CG ASN A 13 4.965 13.869 -7.191 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.066 13.543 -7.620 1.00 0.00 O ATOM 179 ND2 ASN A 13 4.656 15.141 -6.950 1.00 0.00 N ATOM 0 H ASN A 13 5.345 11.740 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 13 3.246 13.738 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.255 11.842 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.003 13.043 -7.481 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.344 15.874 -7.122 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.731 15.382 -6.593 1.00 0.00 H new ATOM 186 N VAL A 14 2.581 10.548 -5.572 1.00 0.00 N ATOM 187 CA VAL A 14 1.564 9.515 -5.616 1.00 0.00 C ATOM 188 C VAL A 14 1.017 9.184 -4.226 1.00 0.00 C ATOM 189 O VAL A 14 -0.179 8.935 -4.101 1.00 0.00 O ATOM 190 CB VAL A 14 2.173 8.280 -6.308 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.180 7.114 -6.380 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.609 8.614 -7.744 1.00 0.00 C ATOM 0 H VAL A 14 3.503 10.211 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 14 0.705 9.870 -6.185 1.00 0.00 H new ATOM 0 HB VAL A 14 3.033 7.988 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.651 6.265 -6.875 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.883 6.827 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.299 7.420 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.035 7.726 -8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.744 8.946 -8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.357 9.407 -7.722 1.00 0.00 H new ATOM 202 N VAL A 15 1.871 9.160 -3.198 1.00 0.00 N ATOM 203 CA VAL A 15 1.500 8.740 -1.852 1.00 0.00 C ATOM 204 C VAL A 15 1.357 9.919 -0.897 1.00 0.00 C ATOM 205 O VAL A 15 0.294 10.092 -0.306 1.00 0.00 O ATOM 206 CB VAL A 15 2.527 7.728 -1.315 1.00 0.00 C ATOM 207 CG1 VAL A 15 2.052 7.178 0.034 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.733 6.590 -2.323 1.00 0.00 C ATOM 0 H VAL A 15 2.849 9.436 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 15 0.522 8.263 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 15 3.484 8.231 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.781 6.461 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.947 7.998 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.089 6.683 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.462 5.882 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.786 6.078 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.098 7.000 -3.265 1.00 0.00 H new ATOM 218 N LEU A 16 2.420 10.702 -0.699 1.00 0.00 N ATOM 219 CA LEU A 16 2.386 11.776 0.282 1.00 0.00 C ATOM 220 C LEU A 16 1.402 12.868 -0.136 1.00 0.00 C ATOM 221 O LEU A 16 0.334 12.997 0.463 1.00 0.00 O ATOM 222 CB LEU A 16 3.796 12.330 0.526 1.00 0.00 C ATOM 223 CG LEU A 16 4.737 11.335 1.227 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.086 12.015 1.480 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.191 10.829 2.568 1.00 0.00 C ATOM 0 H LEU A 16 3.303 10.610 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 16 2.028 11.371 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.234 12.619 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.722 13.234 1.130 1.00 0.00 H new ATOM 0 HG LEU A 16 4.835 10.474 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.758 11.316 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.521 12.324 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.939 12.890 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.902 10.131 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.043 11.673 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.239 10.323 2.406 1.00 0.00 H new ATOM 237 N GLU A 17 1.734 13.646 -1.167 1.00 0.00 N ATOM 238 CA GLU A 17 0.914 14.774 -1.603 1.00 0.00 C ATOM 239 C GLU A 17 -0.278 14.308 -2.451 1.00 0.00 C ATOM 240 O GLU A 17 -0.502 14.799 -3.556 1.00 0.00 O ATOM 241 CB GLU A 17 1.804 15.778 -2.355 1.00 0.00 C ATOM 242 CG GLU A 17 3.021 16.226 -1.528 1.00 0.00 C ATOM 243 CD GLU A 17 2.631 16.741 -0.145 1.00 0.00 C ATOM 244 OE1 GLU A 17 2.132 17.886 -0.088 1.00 0.00 O ATOM 245 OE2 GLU A 17 2.828 15.977 0.825 1.00 0.00 O ATOM 0 H GLU A 17 2.579 13.511 -1.722 1.00 0.00 H new ATOM 0 HA GLU A 17 0.487 15.270 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.148 15.327 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.211 16.652 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.710 15.389 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.554 17.009 -2.067 1.00 0.00 H new ATOM 252 N SER A 18 -1.046 13.363 -1.911 1.00 0.00 N ATOM 253 CA SER A 18 -2.228 12.778 -2.510 1.00 0.00 C ATOM 254 C SER A 18 -3.493 13.550 -2.115 1.00 0.00 C ATOM 255 O SER A 18 -3.513 14.267 -1.115 1.00 0.00 O ATOM 256 CB SER A 18 -2.303 11.330 -2.025 1.00 0.00 C ATOM 257 OG SER A 18 -2.159 11.286 -0.615 1.00 0.00 O ATOM 0 H SER A 18 -0.842 12.968 -0.993 1.00 0.00 H new ATOM 0 HA SER A 18 -2.164 12.822 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.256 10.889 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.520 10.738 -2.498 1.00 0.00 H new ATOM 0 HG SER A 18 -1.358 10.772 -0.384 1.00 0.00 H new ATOM 263 N SER A 19 -4.557 13.395 -2.909 1.00 0.00 N ATOM 264 CA SER A 19 -5.871 13.969 -2.672 1.00 0.00 C ATOM 265 C SER A 19 -6.692 12.945 -1.885 1.00 0.00 C ATOM 266 O SER A 19 -6.973 13.119 -0.701 1.00 0.00 O ATOM 267 CB SER A 19 -6.496 14.265 -4.040 1.00 0.00 C ATOM 268 OG SER A 19 -6.270 13.157 -4.902 1.00 0.00 O ATOM 0 H SER A 19 -4.518 12.843 -3.766 1.00 0.00 H new ATOM 0 HA SER A 19 -5.828 14.894 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.565 14.447 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.059 15.168 -4.466 1.00 0.00 H new ATOM 0 HG SER A 19 -6.668 13.338 -5.779 1.00 0.00 H new ATOM 274 N VAL A 20 -7.046 11.855 -2.565 1.00 0.00 N ATOM 275 CA VAL A 20 -7.730 10.708 -1.979 1.00 0.00 C ATOM 276 C VAL A 20 -6.671 9.886 -1.242 1.00 0.00 C ATOM 277 O VAL A 20 -5.491 9.983 -1.587 1.00 0.00 O ATOM 278 CB VAL A 20 -8.427 9.882 -3.078 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.569 10.681 -3.716 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.476 9.380 -4.174 1.00 0.00 C ATOM 0 H VAL A 20 -6.860 11.745 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.508 11.023 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.822 9.000 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.047 10.079 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.303 10.940 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.171 11.593 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.040 8.807 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.001 10.231 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.711 8.744 -3.729 1.00 0.00 H new ATOM 290 N PRO A 21 -7.042 9.104 -0.216 1.00 0.00 N ATOM 291 CA PRO A 21 -6.069 8.285 0.482 1.00 0.00 C ATOM 292 C PRO A 21 -5.440 7.278 -0.480 1.00 0.00 C ATOM 293 O PRO A 21 -5.977 7.010 -1.554 1.00 0.00 O ATOM 294 CB PRO A 21 -6.803 7.574 1.618 1.00 0.00 C ATOM 295 CG PRO A 21 -8.163 8.263 1.684 1.00 0.00 C ATOM 296 CD PRO A 21 -8.379 8.858 0.291 1.00 0.00 C ATOM 0 HA PRO A 21 -5.261 8.897 0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.908 6.508 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.263 7.669 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.952 7.554 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.175 9.039 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.926 8.170 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.960 9.779 0.340 1.00 0.00 H new ATOM 304 N VAL A 22 -4.316 6.703 -0.067 1.00 0.00 N ATOM 305 CA VAL A 22 -3.475 5.852 -0.887 1.00 0.00 C ATOM 306 C VAL A 22 -3.074 4.580 -0.140 1.00 0.00 C ATOM 307 O VAL A 22 -2.323 4.662 0.831 1.00 0.00 O ATOM 308 CB VAL A 22 -2.225 6.661 -1.271 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.351 5.858 -2.237 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.603 8.010 -1.892 1.00 0.00 C ATOM 0 H VAL A 22 -3.957 6.823 0.880 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.023 5.541 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.660 6.858 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.469 6.442 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.041 4.928 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.919 5.631 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.697 8.557 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.197 7.843 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.184 8.590 -1.175 1.00 0.00 H new ATOM 320 N LEU A 23 -3.544 3.415 -0.598 1.00 0.00 N ATOM 321 CA LEU A 23 -3.181 2.110 -0.055 1.00 0.00 C ATOM 322 C LEU A 23 -1.847 1.697 -0.678 1.00 0.00 C ATOM 323 O LEU A 23 -1.819 1.331 -1.847 1.00 0.00 O ATOM 324 CB LEU A 23 -4.295 1.097 -0.386 1.00 0.00 C ATOM 325 CG LEU A 23 -4.157 -0.278 0.295 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.508 -0.999 0.218 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.099 -1.172 -0.368 1.00 0.00 C ATOM 0 H LEU A 23 -4.202 3.356 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.073 2.146 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.254 1.530 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.320 0.949 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.843 -0.100 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.427 -1.975 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.266 -0.406 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.792 -1.129 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.049 -2.126 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.369 -1.344 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.127 -0.681 -0.322 1.00 0.00 H new ATOM 339 N VAL A 24 -0.746 1.760 0.071 1.00 0.00 N ATOM 340 CA VAL A 24 0.579 1.378 -0.395 1.00 0.00 C ATOM 341 C VAL A 24 0.947 0.007 0.164 1.00 0.00 C ATOM 342 O VAL A 24 1.105 -0.140 1.379 1.00 0.00 O ATOM 343 CB VAL A 24 1.626 2.408 0.060 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.020 2.033 -0.465 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.274 3.800 -0.460 1.00 0.00 C ATOM 0 H VAL A 24 -0.755 2.085 1.038 1.00 0.00 H new ATOM 0 HA VAL A 24 0.566 1.341 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 24 1.630 2.411 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.746 2.775 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.301 1.052 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.003 2.006 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.027 4.514 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.245 3.785 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.298 4.096 -0.075 1.00 0.00 H new ATOM 355 N ASP A 25 1.120 -0.990 -0.708 1.00 0.00 N ATOM 356 CA ASP A 25 1.627 -2.288 -0.298 1.00 0.00 C ATOM 357 C ASP A 25 3.150 -2.235 -0.405 1.00 0.00 C ATOM 358 O ASP A 25 3.672 -2.122 -1.513 1.00 0.00 O ATOM 359 CB ASP A 25 1.063 -3.415 -1.173 1.00 0.00 C ATOM 360 CG ASP A 25 1.676 -4.769 -0.800 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.997 -4.949 0.395 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.813 -5.601 -1.722 1.00 0.00 O ATOM 0 H ASP A 25 0.914 -0.915 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 25 1.316 -2.503 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.020 -3.460 -1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.264 -3.199 -2.222 1.00 0.00 H new ATOM 367 N PHE A 26 3.882 -2.285 0.709 1.00 0.00 N ATOM 368 CA PHE A 26 5.338 -2.332 0.645 1.00 0.00 C ATOM 369 C PHE A 26 5.661 -3.780 0.307 1.00 0.00 C ATOM 370 O PHE A 26 5.377 -4.660 1.118 1.00 0.00 O ATOM 371 CB PHE A 26 5.982 -1.926 1.973 1.00 0.00 C ATOM 372 CG PHE A 26 6.005 -0.433 2.244 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.806 0.277 2.448 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.237 0.238 2.360 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.843 1.640 2.783 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.275 1.578 2.782 1.00 0.00 C ATOM 377 CZ PHE A 26 6.075 2.281 2.998 1.00 0.00 C ATOM 0 H PHE A 26 3.495 -2.294 1.653 1.00 0.00 H new ATOM 0 HA PHE A 26 5.729 -1.632 -0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.447 -2.419 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.006 -2.299 1.992 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.857 -0.228 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.156 -0.278 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.922 2.197 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.224 2.068 2.940 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.101 3.309 3.328 1.00 0.00 H new ATOM 387 N TRP A 27 6.203 -4.020 -0.889 1.00 0.00 N ATOM 388 CA TRP A 27 6.445 -5.357 -1.409 1.00 0.00 C ATOM 389 C TRP A 27 7.872 -5.486 -1.922 1.00 0.00 C ATOM 390 O TRP A 27 8.690 -4.579 -1.782 1.00 0.00 O ATOM 391 CB TRP A 27 5.467 -5.631 -2.566 1.00 0.00 C ATOM 392 CG TRP A 27 5.808 -4.912 -3.835 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.751 -3.578 -4.009 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.426 -5.439 -5.044 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.367 -3.223 -5.191 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.840 -4.338 -5.852 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.725 -6.733 -5.522 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.571 -4.516 -7.035 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.381 -6.916 -6.750 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.817 -5.814 -7.501 1.00 0.00 C ATOM 0 H TRP A 27 6.488 -3.278 -1.528 1.00 0.00 H new ATOM 0 HA TRP A 27 6.295 -6.078 -0.605 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.444 -6.703 -2.763 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.463 -5.342 -2.255 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.289 -2.885 -3.321 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.460 -2.266 -5.531 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.445 -7.595 -4.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.941 -3.661 -7.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.552 -7.916 -7.120 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.340 -5.966 -8.434 1.00 0.00 H new ATOM 411 N ALA A 28 8.161 -6.618 -2.562 1.00 0.00 N ATOM 412 CA ALA A 28 9.408 -6.885 -3.262 1.00 0.00 C ATOM 413 C ALA A 28 9.225 -8.172 -4.067 1.00 0.00 C ATOM 414 O ALA A 28 8.485 -9.046 -3.620 1.00 0.00 O ATOM 415 CB ALA A 28 10.570 -7.065 -2.286 1.00 0.00 C ATOM 0 H ALA A 28 7.507 -7.400 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 28 9.644 -6.040 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.486 -7.263 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.693 -6.157 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.361 -7.904 -1.622 1.00 0.00 H new ATOM 421 N PRO A 29 9.884 -8.335 -5.223 1.00 0.00 N ATOM 422 CA PRO A 29 9.764 -9.540 -6.035 1.00 0.00 C ATOM 423 C PRO A 29 10.065 -10.817 -5.249 1.00 0.00 C ATOM 424 O PRO A 29 9.321 -11.790 -5.347 1.00 0.00 O ATOM 425 CB PRO A 29 10.720 -9.337 -7.213 1.00 0.00 C ATOM 426 CG PRO A 29 11.658 -8.212 -6.766 1.00 0.00 C ATOM 427 CD PRO A 29 10.747 -7.369 -5.878 1.00 0.00 C ATOM 0 HA PRO A 29 8.739 -9.681 -6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.274 -10.249 -7.435 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.179 -9.064 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.520 -8.594 -6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.043 -7.642 -7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.322 -6.794 -5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.170 -6.655 -6.466 1.00 0.00 H new ATOM 435 N TRP A 30 11.140 -10.825 -4.459 1.00 0.00 N ATOM 436 CA TRP A 30 11.508 -11.990 -3.663 1.00 0.00 C ATOM 437 C TRP A 30 10.455 -12.310 -2.593 1.00 0.00 C ATOM 438 O TRP A 30 10.369 -13.448 -2.132 1.00 0.00 O ATOM 439 CB TRP A 30 12.884 -11.754 -3.024 1.00 0.00 C ATOM 440 CG TRP A 30 13.038 -10.528 -2.168 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.667 -9.391 -2.539 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.597 -10.304 -0.793 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.637 -8.475 -1.508 1.00 0.00 N ATOM 444 CE2 TRP A 30 12.976 -8.983 -0.409 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.924 -11.081 0.176 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.676 -8.452 0.855 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.582 -10.545 1.432 1.00 0.00 C ATOM 448 CH2 TRP A 30 11.939 -9.227 1.765 1.00 0.00 C ATOM 0 H TRP A 30 11.772 -10.031 -4.355 1.00 0.00 H new ATOM 0 HA TRP A 30 11.557 -12.856 -4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.129 -12.625 -2.416 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.624 -11.705 -3.823 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.126 -9.224 -3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.050 -7.543 -1.553 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.667 -12.105 -0.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.008 -7.460 1.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.042 -11.151 2.144 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.647 -8.811 2.718 1.00 0.00 H new ATOM 459 N CYS A 31 9.643 -11.328 -2.191 1.00 0.00 N ATOM 460 CA CYS A 31 8.670 -11.516 -1.126 1.00 0.00 C ATOM 461 C CYS A 31 7.461 -12.306 -1.625 1.00 0.00 C ATOM 462 O CYS A 31 6.436 -11.735 -1.989 1.00 0.00 O ATOM 463 CB CYS A 31 8.258 -10.160 -0.555 1.00 0.00 C ATOM 464 SG CYS A 31 6.946 -10.260 0.676 1.00 0.00 S ATOM 0 H CYS A 31 9.645 -10.391 -2.594 1.00 0.00 H new ATOM 0 HA CYS A 31 9.127 -12.099 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.130 -9.685 -0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.930 -9.517 -1.371 1.00 0.00 H new ATOM 469 N GLY A 32 7.572 -13.636 -1.615 1.00 0.00 N ATOM 470 CA GLY A 32 6.489 -14.549 -1.974 1.00 0.00 C ATOM 471 C GLY A 32 5.138 -14.139 -1.371 1.00 0.00 C ATOM 472 O GLY A 32 4.170 -13.981 -2.116 1.00 0.00 O ATOM 0 H GLY A 32 8.433 -14.115 -1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.399 -14.589 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.741 -15.554 -1.637 1.00 0.00 H new ATOM 476 N PRO A 33 5.044 -13.943 -0.042 1.00 0.00 N ATOM 477 CA PRO A 33 3.804 -13.529 0.599 1.00 0.00 C ATOM 478 C PRO A 33 3.245 -12.222 0.022 1.00 0.00 C ATOM 479 O PRO A 33 2.039 -12.004 0.063 1.00 0.00 O ATOM 480 CB PRO A 33 4.122 -13.405 2.089 1.00 0.00 C ATOM 481 CG PRO A 33 5.323 -14.318 2.288 1.00 0.00 C ATOM 482 CD PRO A 33 6.073 -14.188 0.959 1.00 0.00 C ATOM 0 HA PRO A 33 3.018 -14.262 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.354 -12.376 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.278 -13.716 2.704 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.937 -14.001 3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.021 -15.347 2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.792 -13.370 0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.633 -15.096 0.733 1.00 0.00 H new ATOM 490 N CYS A 34 4.104 -11.345 -0.508 1.00 0.00 N ATOM 491 CA CYS A 34 3.672 -10.108 -1.146 1.00 0.00 C ATOM 492 C CYS A 34 3.142 -10.464 -2.537 1.00 0.00 C ATOM 493 O CYS A 34 2.016 -10.140 -2.913 1.00 0.00 O ATOM 494 CB CYS A 34 4.818 -9.097 -1.284 1.00 0.00 C ATOM 495 SG CYS A 34 5.759 -8.622 0.186 1.00 0.00 S ATOM 0 H CYS A 34 5.115 -11.477 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 34 2.904 -9.643 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.525 -9.499 -2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.402 -8.187 -1.715 1.00 0.00 H new ATOM 500 N ARG A 35 3.984 -11.166 -3.298 1.00 0.00 N ATOM 501 CA ARG A 35 3.731 -11.622 -4.656 1.00 0.00 C ATOM 502 C ARG A 35 2.334 -12.226 -4.780 1.00 0.00 C ATOM 503 O ARG A 35 1.597 -11.901 -5.705 1.00 0.00 O ATOM 504 CB ARG A 35 4.801 -12.662 -5.020 1.00 0.00 C ATOM 505 CG ARG A 35 5.003 -12.812 -6.532 1.00 0.00 C ATOM 506 CD ARG A 35 5.924 -14.004 -6.820 1.00 0.00 C ATOM 507 NE ARG A 35 7.211 -13.867 -6.117 1.00 0.00 N ATOM 508 CZ ARG A 35 7.878 -14.835 -5.470 1.00 0.00 C ATOM 509 NH1 ARG A 35 7.478 -16.111 -5.511 1.00 0.00 N ATOM 510 NH2 ARG A 35 8.961 -14.496 -4.768 1.00 0.00 N ATOM 0 H ARG A 35 4.906 -11.443 -2.962 1.00 0.00 H new ATOM 0 HA ARG A 35 3.780 -10.776 -5.342 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.747 -12.378 -4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.519 -13.627 -4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.041 -12.958 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.436 -11.900 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.435 -14.928 -6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.099 -14.080 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 35 7.639 -12.941 -6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.647 -16.368 -6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.004 -16.827 -5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.262 -13.522 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.488 -15.211 -4.266 1.00 0.00 H new ATOM 524 N ILE A 36 1.969 -13.102 -3.842 1.00 0.00 N ATOM 525 CA ILE A 36 0.671 -13.769 -3.888 1.00 0.00 C ATOM 526 C ILE A 36 -0.502 -12.828 -3.554 1.00 0.00 C ATOM 527 O ILE A 36 -1.604 -13.102 -4.024 1.00 0.00 O ATOM 528 CB ILE A 36 0.681 -15.062 -3.045 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.993 -14.842 -1.556 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.718 -16.028 -3.638 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.276 -14.671 -0.717 1.00 0.00 C ATOM 0 H ILE A 36 2.552 -13.364 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 36 0.497 -14.068 -4.922 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.329 -15.470 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.565 -15.689 -1.178 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.621 -13.958 -1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.736 -16.947 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.451 -16.260 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.704 -15.563 -3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.004 -14.518 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.836 -13.807 -1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.893 -15.565 -0.804 1.00 0.00 H new ATOM 543 N ILE A 37 -0.326 -11.739 -2.785 1.00 0.00 N ATOM 544 CA ILE A 37 -1.439 -10.811 -2.538 1.00 0.00 C ATOM 545 C ILE A 37 -1.509 -9.764 -3.655 1.00 0.00 C ATOM 546 O ILE A 37 -2.583 -9.266 -3.960 1.00 0.00 O ATOM 547 CB ILE A 37 -1.374 -10.138 -1.151 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.087 -9.330 -0.940 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.524 -11.199 -0.052 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.180 -8.382 0.253 1.00 0.00 C ATOM 0 H ILE A 37 0.553 -11.485 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.354 -11.404 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.200 -9.428 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.748 -10.015 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.129 -8.755 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.477 -10.719 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.483 -11.705 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.718 -11.928 -0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.757 -7.835 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.996 -7.677 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.368 -8.956 1.160 1.00 0.00 H new ATOM 562 N ALA A 38 -0.393 -9.459 -4.317 1.00 0.00 N ATOM 563 CA ALA A 38 -0.291 -8.480 -5.397 1.00 0.00 C ATOM 564 C ALA A 38 -1.488 -8.468 -6.377 1.00 0.00 C ATOM 565 O ALA A 38 -1.986 -7.383 -6.682 1.00 0.00 O ATOM 566 CB ALA A 38 1.021 -8.730 -6.153 1.00 0.00 C ATOM 0 H ALA A 38 0.500 -9.905 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.305 -7.493 -4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.116 -8.009 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.862 -8.620 -5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.018 -9.740 -6.564 1.00 0.00 H new ATOM 572 N PRO A 39 -1.998 -9.612 -6.872 1.00 0.00 N ATOM 573 CA PRO A 39 -3.113 -9.636 -7.814 1.00 0.00 C ATOM 574 C PRO A 39 -4.398 -9.165 -7.118 1.00 0.00 C ATOM 575 O PRO A 39 -5.280 -8.542 -7.704 1.00 0.00 O ATOM 576 CB PRO A 39 -3.235 -11.098 -8.281 1.00 0.00 C ATOM 577 CG PRO A 39 -1.981 -11.792 -7.737 1.00 0.00 C ATOM 578 CD PRO A 39 -1.697 -10.977 -6.482 1.00 0.00 C ATOM 0 HA PRO A 39 -2.951 -8.969 -8.661 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.142 -11.562 -7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.282 -11.163 -9.368 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.160 -12.843 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.153 -11.755 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.319 -11.300 -5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.659 -11.082 -6.165 1.00 0.00 H new ATOM 586 N VAL A 40 -4.485 -9.486 -5.832 1.00 0.00 N ATOM 587 CA VAL A 40 -5.553 -9.152 -4.924 1.00 0.00 C ATOM 588 C VAL A 40 -5.442 -7.652 -4.594 1.00 0.00 C ATOM 589 O VAL A 40 -6.458 -6.965 -4.550 1.00 0.00 O ATOM 590 CB VAL A 40 -5.456 -10.150 -3.743 1.00 0.00 C ATOM 591 CG1 VAL A 40 -5.240 -9.527 -2.365 1.00 0.00 C ATOM 592 CG2 VAL A 40 -6.657 -11.102 -3.756 1.00 0.00 C ATOM 0 H VAL A 40 -3.752 -10.026 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.561 -9.265 -5.323 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.538 -10.711 -3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.187 -10.315 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.308 -8.961 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.070 -8.860 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.578 -11.799 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.578 -10.527 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.670 -11.658 -4.693 1.00 0.00 H new ATOM 602 N VAL A 41 -4.227 -7.111 -4.427 1.00 0.00 N ATOM 603 CA VAL A 41 -4.007 -5.676 -4.238 1.00 0.00 C ATOM 604 C VAL A 41 -4.546 -4.953 -5.482 1.00 0.00 C ATOM 605 O VAL A 41 -5.262 -3.956 -5.373 1.00 0.00 O ATOM 606 CB VAL A 41 -2.511 -5.376 -3.995 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.262 -3.871 -3.823 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.971 -6.088 -2.745 1.00 0.00 C ATOM 0 H VAL A 41 -3.368 -7.661 -4.420 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.536 -5.319 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.989 -5.747 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.200 -3.695 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.578 -3.345 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.831 -3.503 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.916 -5.847 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.529 -5.758 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.085 -7.166 -2.862 1.00 0.00 H new ATOM 618 N ASP A 42 -4.214 -5.474 -6.670 1.00 0.00 N ATOM 619 CA ASP A 42 -4.726 -4.953 -7.934 1.00 0.00 C ATOM 620 C ASP A 42 -6.254 -4.997 -7.943 1.00 0.00 C ATOM 621 O ASP A 42 -6.888 -3.979 -8.202 1.00 0.00 O ATOM 622 CB ASP A 42 -4.165 -5.761 -9.109 1.00 0.00 C ATOM 623 CG ASP A 42 -2.862 -5.193 -9.653 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.824 -3.971 -9.924 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.908 -5.977 -9.835 1.00 0.00 O ATOM 0 H ASP A 42 -3.583 -6.268 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.405 -3.917 -8.040 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.001 -6.790 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.905 -5.790 -9.909 1.00 0.00 H new ATOM 630 N GLU A 43 -6.859 -6.155 -7.661 1.00 0.00 N ATOM 631 CA GLU A 43 -8.317 -6.257 -7.590 1.00 0.00 C ATOM 632 C GLU A 43 -8.871 -5.166 -6.682 1.00 0.00 C ATOM 633 O GLU A 43 -9.818 -4.465 -7.035 1.00 0.00 O ATOM 634 CB GLU A 43 -8.727 -7.598 -6.980 1.00 0.00 C ATOM 635 CG GLU A 43 -10.237 -7.780 -6.770 1.00 0.00 C ATOM 636 CD GLU A 43 -11.049 -7.786 -8.064 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.444 -8.038 -9.128 1.00 0.00 O ATOM 638 OE2 GLU A 43 -12.274 -7.563 -7.956 1.00 0.00 O ATOM 0 H GLU A 43 -6.364 -7.028 -7.480 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.707 -6.159 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.366 -8.399 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.225 -7.712 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.409 -8.717 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.603 -6.979 -6.127 1.00 0.00 H new ATOM 645 N ILE A 44 -8.293 -5.050 -5.487 1.00 0.00 N ATOM 646 CA ILE A 44 -8.749 -4.101 -4.490 1.00 0.00 C ATOM 647 C ILE A 44 -8.669 -2.687 -5.062 1.00 0.00 C ATOM 648 O ILE A 44 -9.574 -1.883 -4.827 1.00 0.00 O ATOM 649 CB ILE A 44 -7.969 -4.292 -3.182 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.376 -5.613 -2.507 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.328 -3.162 -2.230 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.305 -6.095 -1.524 1.00 0.00 C ATOM 0 H ILE A 44 -7.497 -5.614 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.795 -4.277 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.902 -4.301 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.320 -5.477 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.542 -6.375 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.780 -3.286 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.062 -2.207 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.399 -3.183 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.626 -7.030 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.368 -6.255 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.158 -5.343 -0.749 1.00 0.00 H new ATOM 664 N ALA A 45 -7.620 -2.379 -5.831 1.00 0.00 N ATOM 665 CA ALA A 45 -7.528 -1.096 -6.515 1.00 0.00 C ATOM 666 C ALA A 45 -8.761 -0.872 -7.388 1.00 0.00 C ATOM 667 O ALA A 45 -9.191 0.264 -7.556 1.00 0.00 O ATOM 668 CB ALA A 45 -6.285 -1.041 -7.398 1.00 0.00 C ATOM 0 H ALA A 45 -6.828 -3.001 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.466 -0.317 -5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.237 -0.074 -7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.395 -1.176 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.333 -1.834 -8.144 1.00 0.00 H new ATOM 674 N GLY A 46 -9.313 -1.947 -7.960 1.00 0.00 N ATOM 675 CA GLY A 46 -10.532 -1.877 -8.733 1.00 0.00 C ATOM 676 C GLY A 46 -11.678 -1.607 -7.768 1.00 0.00 C ATOM 677 O GLY A 46 -12.378 -0.604 -7.909 1.00 0.00 O ATOM 0 H GLY A 46 -8.918 -2.885 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.466 -1.086 -9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.697 -2.810 -9.271 1.00 0.00 H new ATOM 681 N GLU A 47 -11.842 -2.477 -6.761 1.00 0.00 N ATOM 682 CA GLU A 47 -12.932 -2.347 -5.795 1.00 0.00 C ATOM 683 C GLU A 47 -13.099 -0.923 -5.243 1.00 0.00 C ATOM 684 O GLU A 47 -14.214 -0.408 -5.180 1.00 0.00 O ATOM 685 CB GLU A 47 -12.729 -3.323 -4.632 1.00 0.00 C ATOM 686 CG GLU A 47 -12.641 -4.778 -5.118 1.00 0.00 C ATOM 687 CD GLU A 47 -12.984 -5.778 -4.016 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.663 -5.468 -2.848 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.539 -6.846 -4.357 1.00 0.00 O ATOM 0 H GLU A 47 -11.231 -3.277 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.846 -2.586 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.817 -3.063 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.554 -3.225 -3.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.320 -4.920 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.634 -4.976 -5.485 1.00 0.00 H new ATOM 696 N TYR A 48 -11.994 -0.302 -4.826 1.00 0.00 N ATOM 697 CA TYR A 48 -12.005 1.029 -4.214 1.00 0.00 C ATOM 698 C TYR A 48 -11.465 2.131 -5.131 1.00 0.00 C ATOM 699 O TYR A 48 -11.104 3.198 -4.634 1.00 0.00 O ATOM 700 CB TYR A 48 -11.220 0.968 -2.896 1.00 0.00 C ATOM 701 CG TYR A 48 -11.689 -0.113 -1.938 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.063 -0.295 -1.692 1.00 0.00 C ATOM 703 CD2 TYR A 48 -10.754 -0.969 -1.329 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.504 -1.362 -0.895 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.195 -2.046 -0.541 1.00 0.00 C ATOM 706 CZ TYR A 48 -12.569 -2.246 -0.336 1.00 0.00 C ATOM 707 OH TYR A 48 -12.988 -3.305 0.402 1.00 0.00 O ATOM 0 H TYR A 48 -11.062 -0.710 -4.903 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.043 1.302 -4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.166 0.805 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.293 1.935 -2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.781 0.390 -2.119 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.696 -0.799 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.559 -1.502 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.478 -2.719 -0.094 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.963 -3.271 0.500 1.00 0.00 H new ATOM 717 N LYS A 49 -11.473 1.909 -6.452 1.00 0.00 N ATOM 718 CA LYS A 49 -10.982 2.866 -7.445 1.00 0.00 C ATOM 719 C LYS A 49 -11.553 4.265 -7.198 1.00 0.00 C ATOM 720 O LYS A 49 -10.860 5.267 -7.349 1.00 0.00 O ATOM 721 CB LYS A 49 -11.376 2.362 -8.845 1.00 0.00 C ATOM 722 CG LYS A 49 -10.875 3.234 -10.006 1.00 0.00 C ATOM 723 CD LYS A 49 -9.345 3.348 -10.017 1.00 0.00 C ATOM 724 CE LYS A 49 -8.826 3.863 -11.366 1.00 0.00 C ATOM 725 NZ LYS A 49 -9.376 5.189 -11.702 1.00 0.00 N ATOM 0 H LYS A 49 -11.827 1.046 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.897 2.942 -7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.989 1.351 -8.975 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.463 2.297 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.214 2.810 -10.951 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.313 4.229 -9.928 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.024 4.021 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.906 2.373 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.738 3.919 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.089 3.153 -12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.935 5.536 -12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.404 5.114 -11.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.177 5.854 -10.927 1.00 0.00 H new ATOM 739 N ASP A 50 -12.838 4.308 -6.841 1.00 0.00 N ATOM 740 CA ASP A 50 -13.591 5.517 -6.553 1.00 0.00 C ATOM 741 C ASP A 50 -12.919 6.382 -5.483 1.00 0.00 C ATOM 742 O ASP A 50 -12.458 7.487 -5.752 1.00 0.00 O ATOM 743 CB ASP A 50 -14.993 5.089 -6.093 1.00 0.00 C ATOM 744 CG ASP A 50 -15.815 6.264 -5.579 1.00 0.00 C ATOM 745 OD1 ASP A 50 -16.171 7.118 -6.419 1.00 0.00 O ATOM 746 OD2 ASP A 50 -16.068 6.281 -4.355 1.00 0.00 O ATOM 0 H ASP A 50 -13.400 3.463 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.641 6.131 -7.453 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.517 4.617 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.902 4.340 -5.306 1.00 0.00 H new ATOM 751 N LYS A 51 -12.905 5.869 -4.255 1.00 0.00 N ATOM 752 CA LYS A 51 -12.469 6.600 -3.078 1.00 0.00 C ATOM 753 C LYS A 51 -10.991 6.492 -2.742 1.00 0.00 C ATOM 754 O LYS A 51 -10.540 7.255 -1.892 1.00 0.00 O ATOM 755 CB LYS A 51 -13.252 6.088 -1.862 1.00 0.00 C ATOM 756 CG LYS A 51 -13.037 4.600 -1.526 1.00 0.00 C ATOM 757 CD LYS A 51 -14.217 4.003 -0.743 1.00 0.00 C ATOM 758 CE LYS A 51 -15.426 3.721 -1.644 1.00 0.00 C ATOM 759 NZ LYS A 51 -16.502 3.055 -0.890 1.00 0.00 N ATOM 0 H LYS A 51 -13.203 4.915 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.656 7.648 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.974 6.685 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -14.315 6.255 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.895 4.038 -2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.123 4.490 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.901 3.077 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.510 4.691 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.797 4.656 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.121 3.093 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.308 2.875 -1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.152 2.153 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.806 3.667 -0.106 1.00 0.00 H new ATOM 773 N LEU A 52 -10.250 5.545 -3.319 1.00 0.00 N ATOM 774 CA LEU A 52 -8.916 5.239 -2.824 1.00 0.00 C ATOM 775 C LEU A 52 -7.905 4.994 -3.940 1.00 0.00 C ATOM 776 O LEU A 52 -8.182 4.261 -4.886 1.00 0.00 O ATOM 777 CB LEU A 52 -9.065 3.971 -1.964 1.00 0.00 C ATOM 778 CG LEU A 52 -8.141 3.932 -0.745 1.00 0.00 C ATOM 779 CD1 LEU A 52 -8.830 4.691 0.392 1.00 0.00 C ATOM 780 CD2 LEU A 52 -7.923 2.480 -0.310 1.00 0.00 C ATOM 0 H LEU A 52 -10.549 4.986 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.531 6.089 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.098 3.893 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.866 3.098 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.179 4.383 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.192 4.679 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.007 5.722 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.781 4.213 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.265 2.455 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.881 2.030 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.468 1.920 -1.127 1.00 0.00 H new ATOM 792 N LYS A 53 -6.713 5.574 -3.827 1.00 0.00 N ATOM 793 CA LYS A 53 -5.608 5.231 -4.701 1.00 0.00 C ATOM 794 C LYS A 53 -5.030 3.925 -4.136 1.00 0.00 C ATOM 795 O LYS A 53 -5.130 3.674 -2.933 1.00 0.00 O ATOM 796 CB LYS A 53 -4.568 6.363 -4.695 1.00 0.00 C ATOM 797 CG LYS A 53 -4.158 6.836 -6.096 1.00 0.00 C ATOM 798 CD LYS A 53 -3.430 5.731 -6.875 1.00 0.00 C ATOM 799 CE LYS A 53 -2.748 6.287 -8.129 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.002 5.231 -8.838 1.00 0.00 N ATOM 0 H LYS A 53 -6.493 6.288 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.917 5.101 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.970 7.210 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.680 6.025 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.044 7.149 -6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.511 7.709 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.686 5.261 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.141 4.955 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.497 6.717 -8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.069 7.093 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.549 5.634 -9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.273 4.839 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.657 4.475 -9.123 1.00 0.00 H new ATOM 814 N CYS A 54 -4.430 3.083 -4.976 1.00 0.00 N ATOM 815 CA CYS A 54 -3.829 1.827 -4.549 1.00 0.00 C ATOM 816 C CYS A 54 -2.497 1.685 -5.271 1.00 0.00 C ATOM 817 O CYS A 54 -2.402 2.025 -6.455 1.00 0.00 O ATOM 818 CB CYS A 54 -4.773 0.673 -4.857 1.00 0.00 C ATOM 819 SG CYS A 54 -4.017 -0.859 -4.274 1.00 0.00 S ATOM 0 H CYS A 54 -4.348 3.257 -5.978 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.654 1.815 -3.473 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.735 0.830 -4.369 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.965 0.617 -5.928 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.646 -1.875 -4.785 1.00 0.00 H new ATOM 825 N VAL A 55 -1.456 1.258 -4.556 1.00 0.00 N ATOM 826 CA VAL A 55 -0.104 1.224 -5.088 1.00 0.00 C ATOM 827 C VAL A 55 0.747 0.152 -4.420 1.00 0.00 C ATOM 828 O VAL A 55 0.392 -0.380 -3.369 1.00 0.00 O ATOM 829 CB VAL A 55 0.589 2.594 -4.894 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.211 3.047 -6.211 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.300 3.722 -4.363 1.00 0.00 C ATOM 0 H VAL A 55 -1.532 0.928 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.191 0.990 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 55 1.336 2.415 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.698 4.012 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.948 2.313 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.432 3.140 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.289 4.634 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.123 3.893 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.699 3.442 -3.388 1.00 0.00 H new ATOM 841 N LYS A 56 1.899 -0.122 -5.034 1.00 0.00 N ATOM 842 CA LYS A 56 2.878 -1.088 -4.576 1.00 0.00 C ATOM 843 C LYS A 56 4.263 -0.425 -4.511 1.00 0.00 C ATOM 844 O LYS A 56 4.802 -0.009 -5.539 1.00 0.00 O ATOM 845 CB LYS A 56 2.867 -2.273 -5.543 1.00 0.00 C ATOM 846 CG LYS A 56 1.448 -2.781 -5.817 1.00 0.00 C ATOM 847 CD LYS A 56 1.500 -4.131 -6.534 1.00 0.00 C ATOM 848 CE LYS A 56 0.178 -4.351 -7.271 1.00 0.00 C ATOM 849 NZ LYS A 56 0.103 -5.695 -7.859 1.00 0.00 N ATOM 0 H LYS A 56 2.179 0.345 -5.896 1.00 0.00 H new ATOM 0 HA LYS A 56 2.636 -1.445 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.333 -1.978 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.468 -3.083 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.902 -2.880 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.906 -2.058 -6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.332 -4.152 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.669 -4.933 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.653 -4.209 -6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.070 -3.603 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.457 -5.660 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.062 -6.034 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.350 -6.344 -7.185 1.00 0.00 H new ATOM 863 N LEU A 57 4.845 -0.316 -3.313 1.00 0.00 N ATOM 864 CA LEU A 57 6.156 0.290 -3.105 1.00 0.00 C ATOM 865 C LEU A 57 7.225 -0.795 -3.025 1.00 0.00 C ATOM 866 O LEU A 57 7.211 -1.635 -2.125 1.00 0.00 O ATOM 867 CB LEU A 57 6.126 1.158 -1.842 1.00 0.00 C ATOM 868 CG LEU A 57 7.464 1.803 -1.463 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.033 2.626 -2.614 1.00 0.00 C ATOM 870 CD2 LEU A 57 7.225 2.755 -0.295 1.00 0.00 C ATOM 0 H LEU A 57 4.411 -0.651 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 57 6.406 0.934 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.386 1.947 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.787 0.545 -1.007 1.00 0.00 H new ATOM 0 HG LEU A 57 8.166 1.008 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.982 3.069 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.193 1.981 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.331 3.417 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.166 3.225 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.511 3.523 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.826 2.198 0.553 1.00 0.00 H new ATOM 882 N ASN A 58 8.156 -0.798 -3.987 1.00 0.00 N ATOM 883 CA ASN A 58 9.246 -1.765 -3.977 1.00 0.00 C ATOM 884 C ASN A 58 10.202 -1.405 -2.842 1.00 0.00 C ATOM 885 O ASN A 58 10.908 -0.402 -2.893 1.00 0.00 O ATOM 886 CB ASN A 58 9.958 -1.829 -5.326 1.00 0.00 C ATOM 887 CG ASN A 58 11.012 -2.936 -5.292 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.880 -2.956 -4.424 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.934 -3.895 -6.205 1.00 0.00 N ATOM 0 H ASN A 58 8.172 -0.147 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 58 8.845 -2.764 -3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.238 -2.022 -6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.428 -0.871 -5.547 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.602 -4.666 -6.193 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.206 -3.862 -6.919 1.00 0.00 H new ATOM 896 N THR A 59 10.213 -2.251 -1.820 1.00 0.00 N ATOM 897 CA THR A 59 10.943 -2.071 -0.580 1.00 0.00 C ATOM 898 C THR A 59 12.446 -2.061 -0.817 1.00 0.00 C ATOM 899 O THR A 59 13.166 -1.240 -0.262 1.00 0.00 O ATOM 900 CB THR A 59 10.544 -3.218 0.352 1.00 0.00 C ATOM 901 OG1 THR A 59 9.144 -3.175 0.548 1.00 0.00 O ATOM 902 CG2 THR A 59 11.261 -3.116 1.695 1.00 0.00 C ATOM 0 H THR A 59 9.685 -3.124 -1.838 1.00 0.00 H new ATOM 0 HA THR A 59 10.695 -1.108 -0.133 1.00 0.00 H new ATOM 0 HB THR A 59 10.834 -4.164 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.697 -3.649 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.956 -3.945 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.339 -3.157 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.001 -2.173 2.175 1.00 0.00 H new ATOM 910 N ASP A 60 12.917 -2.985 -1.647 1.00 0.00 N ATOM 911 CA ASP A 60 14.328 -3.139 -1.962 1.00 0.00 C ATOM 912 C ASP A 60 14.847 -1.904 -2.709 1.00 0.00 C ATOM 913 O ASP A 60 15.988 -1.487 -2.530 1.00 0.00 O ATOM 914 CB ASP A 60 14.453 -4.430 -2.765 1.00 0.00 C ATOM 915 CG ASP A 60 15.826 -4.578 -3.406 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.789 -4.769 -2.634 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.878 -4.502 -4.652 1.00 0.00 O ATOM 0 H ASP A 60 12.318 -3.657 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 60 14.946 -3.212 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.265 -5.282 -2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.688 -4.449 -3.541 1.00 0.00 H new ATOM 922 N GLU A 61 13.977 -1.303 -3.525 1.00 0.00 N ATOM 923 CA GLU A 61 14.242 -0.082 -4.271 1.00 0.00 C ATOM 924 C GLU A 61 14.028 1.160 -3.393 1.00 0.00 C ATOM 925 O GLU A 61 14.587 2.223 -3.664 1.00 0.00 O ATOM 926 CB GLU A 61 13.291 -0.048 -5.471 1.00 0.00 C ATOM 927 CG GLU A 61 13.812 0.862 -6.584 1.00 0.00 C ATOM 928 CD GLU A 61 12.873 0.879 -7.786 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.645 0.844 -7.553 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.400 0.919 -8.918 1.00 0.00 O ATOM 0 H GLU A 61 13.039 -1.670 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 61 15.280 -0.073 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.160 -1.058 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.310 0.299 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.930 1.875 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.799 0.523 -6.898 1.00 0.00 H new ATOM 937 N SER A 62 13.190 1.029 -2.358 1.00 0.00 N ATOM 938 CA SER A 62 12.808 2.093 -1.439 1.00 0.00 C ATOM 939 C SER A 62 13.050 1.730 0.036 1.00 0.00 C ATOM 940 O SER A 62 12.137 1.830 0.858 1.00 0.00 O ATOM 941 CB SER A 62 11.332 2.412 -1.662 1.00 0.00 C ATOM 942 OG SER A 62 11.019 2.320 -3.037 1.00 0.00 O ATOM 0 H SER A 62 12.744 0.139 -2.134 1.00 0.00 H new ATOM 0 HA SER A 62 13.435 2.960 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.712 1.720 -1.093 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.109 3.414 -1.296 1.00 0.00 H new ATOM 0 HG SER A 62 10.868 1.382 -3.276 1.00 0.00 H new ATOM 948 N PRO A 63 14.282 1.342 0.395 1.00 0.00 N ATOM 949 CA PRO A 63 14.656 1.003 1.752 1.00 0.00 C ATOM 950 C PRO A 63 14.569 2.260 2.609 1.00 0.00 C ATOM 951 O PRO A 63 14.272 2.176 3.792 1.00 0.00 O ATOM 952 CB PRO A 63 16.079 0.444 1.665 1.00 0.00 C ATOM 953 CG PRO A 63 16.649 1.109 0.412 1.00 0.00 C ATOM 954 CD PRO A 63 15.421 1.241 -0.489 1.00 0.00 C ATOM 0 HA PRO A 63 14.001 0.263 2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.662 0.692 2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.079 -0.642 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.093 2.079 0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.427 0.501 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.499 2.122 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.327 0.378 -1.148 1.00 0.00 H new ATOM 962 N ASN A 64 14.821 3.417 1.991 1.00 0.00 N ATOM 963 CA ASN A 64 14.717 4.751 2.582 1.00 0.00 C ATOM 964 C ASN A 64 13.443 4.883 3.414 1.00 0.00 C ATOM 965 O ASN A 64 13.479 4.851 4.645 1.00 0.00 O ATOM 966 CB ASN A 64 14.748 5.835 1.484 1.00 0.00 C ATOM 967 CG ASN A 64 14.239 5.350 0.130 1.00 0.00 C ATOM 968 OD1 ASN A 64 13.104 4.900 0.009 1.00 0.00 O ATOM 969 ND2 ASN A 64 15.109 5.320 -0.874 1.00 0.00 N ATOM 0 H ASN A 64 15.118 3.449 1.016 1.00 0.00 H new ATOM 0 HA ASN A 64 15.574 4.893 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.145 6.684 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.770 6.195 1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.839 4.916 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.047 5.701 -0.748 1.00 0.00 H new ATOM 976 N VAL A 65 12.316 5.019 2.720 1.00 0.00 N ATOM 977 CA VAL A 65 10.999 5.197 3.306 1.00 0.00 C ATOM 978 C VAL A 65 10.749 4.127 4.365 1.00 0.00 C ATOM 979 O VAL A 65 10.374 4.430 5.496 1.00 0.00 O ATOM 980 CB VAL A 65 9.953 5.149 2.181 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.528 5.191 2.737 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.144 6.338 1.230 1.00 0.00 C ATOM 0 H VAL A 65 12.299 5.007 1.700 1.00 0.00 H new ATOM 0 HA VAL A 65 10.929 6.163 3.805 1.00 0.00 H new ATOM 0 HB VAL A 65 10.095 4.210 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.815 5.155 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.368 4.335 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.385 6.112 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.397 6.293 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.029 7.269 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.141 6.297 0.792 1.00 0.00 H new ATOM 992 N ALA A 66 10.963 2.869 3.990 1.00 0.00 N ATOM 993 CA ALA A 66 10.747 1.738 4.882 1.00 0.00 C ATOM 994 C ALA A 66 11.573 1.854 6.169 1.00 0.00 C ATOM 995 O ALA A 66 11.079 1.509 7.239 1.00 0.00 O ATOM 996 CB ALA A 66 11.067 0.439 4.151 1.00 0.00 C ATOM 0 H ALA A 66 11.291 2.607 3.060 1.00 0.00 H new ATOM 0 HA ALA A 66 9.698 1.738 5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.904 -0.405 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.418 0.342 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.108 0.450 3.828 1.00 0.00 H new ATOM 1002 N SER A 67 12.818 2.331 6.083 1.00 0.00 N ATOM 1003 CA SER A 67 13.682 2.509 7.243 1.00 0.00 C ATOM 1004 C SER A 67 13.165 3.661 8.095 1.00 0.00 C ATOM 1005 O SER A 67 13.078 3.536 9.312 1.00 0.00 O ATOM 1006 CB SER A 67 15.130 2.763 6.812 1.00 0.00 C ATOM 1007 OG SER A 67 15.619 1.653 6.089 1.00 0.00 O ATOM 0 H SER A 67 13.252 2.604 5.201 1.00 0.00 H new ATOM 0 HA SER A 67 13.667 1.594 7.835 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.183 3.661 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.753 2.940 7.688 1.00 0.00 H new ATOM 0 HG SER A 67 15.272 1.681 5.173 1.00 0.00 H new ATOM 1013 N GLU A 68 12.809 4.775 7.450 1.00 0.00 N ATOM 1014 CA GLU A 68 12.241 5.936 8.128 1.00 0.00 C ATOM 1015 C GLU A 68 11.000 5.513 8.922 1.00 0.00 C ATOM 1016 O GLU A 68 10.808 5.936 10.059 1.00 0.00 O ATOM 1017 CB GLU A 68 11.880 7.013 7.098 1.00 0.00 C ATOM 1018 CG GLU A 68 13.124 7.623 6.439 1.00 0.00 C ATOM 1019 CD GLU A 68 12.752 8.409 5.186 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.999 9.396 5.339 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.216 8.005 4.098 1.00 0.00 O ATOM 0 H GLU A 68 12.908 4.894 6.442 1.00 0.00 H new ATOM 0 HA GLU A 68 12.975 6.349 8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.240 6.579 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.305 7.801 7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.630 8.280 7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.827 6.832 6.180 1.00 0.00 H new ATOM 1028 N TYR A 69 10.168 4.665 8.313 1.00 0.00 N ATOM 1029 CA TYR A 69 8.953 4.148 8.929 1.00 0.00 C ATOM 1030 C TYR A 69 9.254 3.005 9.909 1.00 0.00 C ATOM 1031 O TYR A 69 8.463 2.757 10.815 1.00 0.00 O ATOM 1032 CB TYR A 69 7.981 3.717 7.818 1.00 0.00 C ATOM 1033 CG TYR A 69 6.947 4.793 7.536 1.00 0.00 C ATOM 1034 CD1 TYR A 69 5.974 5.079 8.514 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.124 5.679 6.456 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.197 6.247 8.425 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.333 6.838 6.356 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.387 7.132 7.351 1.00 0.00 C ATOM 1039 OH TYR A 69 4.681 8.296 7.291 1.00 0.00 O ATOM 0 H TYR A 69 10.325 4.317 7.367 1.00 0.00 H new ATOM 0 HA TYR A 69 8.486 4.934 9.523 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.540 3.500 6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.478 2.795 8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.824 4.396 9.337 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.869 5.468 5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.456 6.463 9.180 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.454 7.502 5.513 1.00 0.00 H new ATOM 0 HH TYR A 69 4.934 8.791 6.484 1.00 0.00 H new ATOM 1049 N GLY A 70 10.380 2.313 9.739 1.00 0.00 N ATOM 1050 CA GLY A 70 10.819 1.242 10.621 1.00 0.00 C ATOM 1051 C GLY A 70 10.035 -0.039 10.360 1.00 0.00 C ATOM 1052 O GLY A 70 9.568 -0.693 11.290 1.00 0.00 O ATOM 0 H GLY A 70 11.023 2.488 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.883 1.058 10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.690 1.546 11.660 1.00 0.00 H new ATOM 1056 N ILE A 71 9.893 -0.407 9.086 1.00 0.00 N ATOM 1057 CA ILE A 71 9.162 -1.609 8.710 1.00 0.00 C ATOM 1058 C ILE A 71 9.964 -2.845 9.131 1.00 0.00 C ATOM 1059 O ILE A 71 11.137 -2.984 8.793 1.00 0.00 O ATOM 1060 CB ILE A 71 8.855 -1.577 7.204 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.908 -0.390 6.948 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.219 -2.901 6.755 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.460 -0.276 5.495 1.00 0.00 C ATOM 0 H ILE A 71 10.277 0.114 8.298 1.00 0.00 H new ATOM 0 HA ILE A 71 8.204 -1.655 9.228 1.00 0.00 H new ATOM 0 HB ILE A 71 9.772 -1.453 6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.029 -0.492 7.585 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.408 0.534 7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.009 -2.860 5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.906 -3.722 6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.290 -3.062 7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.795 0.581 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.332 -0.143 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.932 -1.184 5.205 1.00 0.00 H new ATOM 1075 N ARG A 72 9.308 -3.766 9.842 1.00 0.00 N ATOM 1076 CA ARG A 72 9.939 -4.965 10.373 1.00 0.00 C ATOM 1077 C ARG A 72 10.108 -6.033 9.290 1.00 0.00 C ATOM 1078 O ARG A 72 11.145 -6.691 9.216 1.00 0.00 O ATOM 1079 CB ARG A 72 9.068 -5.503 11.520 1.00 0.00 C ATOM 1080 CG ARG A 72 9.662 -6.774 12.144 1.00 0.00 C ATOM 1081 CD ARG A 72 8.785 -7.331 13.274 1.00 0.00 C ATOM 1082 NE ARG A 72 7.372 -7.490 12.892 1.00 0.00 N ATOM 1083 CZ ARG A 72 6.864 -8.449 12.102 1.00 0.00 C ATOM 1084 NH1 ARG A 72 7.660 -9.288 11.430 1.00 0.00 N ATOM 1085 NH2 ARG A 72 5.537 -8.563 11.988 1.00 0.00 N ATOM 0 H ARG A 72 8.315 -3.694 10.064 1.00 0.00 H new ATOM 0 HA ARG A 72 10.935 -4.714 10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.965 -4.736 12.288 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.067 -5.716 11.146 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.782 -7.534 11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.656 -6.555 12.533 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.180 -8.297 13.588 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.848 -6.666 14.135 1.00 0.00 H new ATOM 0 HE ARG A 72 6.715 -6.804 13.264 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.673 -9.206 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.254 -10.010 10.835 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.925 -7.926 12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.137 -9.287 11.391 1.00 0.00 H new ATOM 1099 N SER A 73 9.073 -6.267 8.483 1.00 0.00 N ATOM 1100 CA SER A 73 9.070 -7.279 7.436 1.00 0.00 C ATOM 1101 C SER A 73 8.029 -6.867 6.401 1.00 0.00 C ATOM 1102 O SER A 73 7.280 -5.922 6.648 1.00 0.00 O ATOM 1103 CB SER A 73 8.736 -8.651 8.043 1.00 0.00 C ATOM 1104 OG SER A 73 9.615 -8.972 9.108 1.00 0.00 O ATOM 0 H SER A 73 8.198 -5.746 8.543 1.00 0.00 H new ATOM 0 HA SER A 73 10.048 -7.358 6.962 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.708 -8.650 8.405 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.801 -9.418 7.271 1.00 0.00 H new ATOM 0 HG SER A 73 9.377 -9.849 9.475 1.00 0.00 H new ATOM 1110 N ILE A 74 7.972 -7.553 5.256 1.00 0.00 N ATOM 1111 CA ILE A 74 7.005 -7.263 4.204 1.00 0.00 C ATOM 1112 C ILE A 74 6.207 -8.539 3.895 1.00 0.00 C ATOM 1113 O ILE A 74 6.718 -9.628 4.154 1.00 0.00 O ATOM 1114 CB ILE A 74 7.716 -6.665 2.976 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.936 -7.469 2.511 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.110 -5.219 3.313 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.338 -7.026 1.099 1.00 0.00 C ATOM 0 H ILE A 74 8.599 -8.327 5.036 1.00 0.00 H new ATOM 0 HA ILE A 74 6.291 -6.507 4.531 1.00 0.00 H new ATOM 0 HB ILE A 74 7.021 -6.699 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.767 -7.319 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.706 -8.534 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.617 -4.771 2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.215 -4.643 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.779 -5.215 4.174 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.205 -7.599 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.508 -7.199 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.586 -5.965 1.108 1.00 0.00 H new ATOM 1129 N PRO A 75 4.968 -8.444 3.379 1.00 0.00 N ATOM 1130 CA PRO A 75 4.282 -7.215 3.031 1.00 0.00 C ATOM 1131 C PRO A 75 3.886 -6.412 4.261 1.00 0.00 C ATOM 1132 O PRO A 75 3.680 -6.954 5.348 1.00 0.00 O ATOM 1133 CB PRO A 75 3.043 -7.608 2.231 1.00 0.00 C ATOM 1134 CG PRO A 75 2.737 -8.999 2.767 1.00 0.00 C ATOM 1135 CD PRO A 75 4.108 -9.582 3.114 1.00 0.00 C ATOM 0 HA PRO A 75 4.946 -6.575 2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.216 -6.917 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.238 -7.619 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.091 -8.954 3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.223 -9.608 2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.046 -10.236 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.497 -10.182 2.291 1.00 0.00 H new ATOM 1143 N THR A 76 3.862 -5.102 4.057 1.00 0.00 N ATOM 1144 CA THR A 76 3.432 -4.117 5.021 1.00 0.00 C ATOM 1145 C THR A 76 2.554 -3.175 4.209 1.00 0.00 C ATOM 1146 O THR A 76 3.043 -2.379 3.406 1.00 0.00 O ATOM 1147 CB THR A 76 4.634 -3.467 5.727 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.105 -4.343 6.729 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.251 -2.165 6.428 1.00 0.00 C ATOM 0 H THR A 76 4.156 -4.686 3.174 1.00 0.00 H new ATOM 0 HA THR A 76 2.865 -4.522 5.859 1.00 0.00 H new ATOM 0 HB THR A 76 5.385 -3.262 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.929 -4.777 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.130 -1.741 6.913 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.864 -1.457 5.695 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.485 -2.367 7.177 1.00 0.00 H new ATOM 1157 N ILE A 77 1.245 -3.357 4.352 1.00 0.00 N ATOM 1158 CA ILE A 77 0.227 -2.600 3.659 1.00 0.00 C ATOM 1159 C ILE A 77 -0.095 -1.418 4.551 1.00 0.00 C ATOM 1160 O ILE A 77 -0.575 -1.621 5.662 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.007 -3.486 3.421 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.655 -4.708 2.553 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.110 -2.664 2.739 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.620 -5.861 2.838 1.00 0.00 C ATOM 0 H ILE A 77 0.858 -4.063 4.978 1.00 0.00 H new ATOM 0 HA ILE A 77 0.560 -2.257 2.680 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.361 -3.846 4.387 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.702 -4.438 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.368 -5.023 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.983 -3.295 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.386 -1.825 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.745 -2.288 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.358 -6.717 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.552 -6.141 3.889 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.639 -5.547 2.612 1.00 0.00 H new ATOM 1176 N MET A 78 0.202 -0.198 4.107 1.00 0.00 N ATOM 1177 CA MET A 78 -0.091 0.992 4.887 1.00 0.00 C ATOM 1178 C MET A 78 -0.903 1.944 4.035 1.00 0.00 C ATOM 1179 O MET A 78 -0.776 1.945 2.814 1.00 0.00 O ATOM 1180 CB MET A 78 1.195 1.655 5.387 1.00 0.00 C ATOM 1181 CG MET A 78 2.151 0.628 6.002 1.00 0.00 C ATOM 1182 SD MET A 78 3.354 1.226 7.220 1.00 0.00 S ATOM 1183 CE MET A 78 4.313 2.365 6.211 1.00 0.00 C ATOM 0 H MET A 78 0.647 -0.013 3.208 1.00 0.00 H new ATOM 0 HA MET A 78 -0.668 0.715 5.769 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.689 2.164 4.560 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.950 2.415 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.551 -0.148 6.476 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.702 0.154 5.190 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.382 3.328 6.716 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.314 1.962 6.059 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.824 2.496 5.246 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.748 2.739 4.680 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.561 3.725 3.985 1.00 0.00 C ATOM 1195 C VAL A 79 -2.005 5.090 4.324 1.00 0.00 C ATOM 1196 O VAL A 79 -1.655 5.326 5.478 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.045 3.647 4.372 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -4.813 4.822 3.736 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.651 2.319 3.900 1.00 0.00 C ATOM 0 H VAL A 79 -1.887 2.718 5.690 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.516 3.530 2.914 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.127 3.705 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.865 4.762 4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.397 5.764 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.721 4.772 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.703 2.279 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.562 2.243 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.119 1.490 4.366 1.00 0.00 H new ATOM 1209 N PHE A 80 -1.954 5.973 3.328 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.535 7.351 3.485 1.00 0.00 C ATOM 1211 C PHE A 80 -2.629 8.286 2.995 1.00 0.00 C ATOM 1212 O PHE A 80 -3.589 7.858 2.358 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.259 7.610 2.690 1.00 0.00 C ATOM 1214 CG PHE A 80 0.992 6.979 3.265 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.214 5.597 3.136 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.954 7.785 3.901 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.375 5.019 3.675 1.00 0.00 C ATOM 1218 CE2 PHE A 80 3.108 7.204 4.451 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.310 5.816 4.358 1.00 0.00 C ATOM 0 H PHE A 80 -2.211 5.737 2.369 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.344 7.536 4.542 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.400 7.241 1.674 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.105 8.687 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.492 4.980 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.805 8.853 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.550 3.959 3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.841 7.824 4.946 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.180 5.364 4.810 1.00 0.00 H new ATOM 1229 N LYS A 81 -2.461 9.566 3.312 1.00 0.00 N ATOM 1230 CA LYS A 81 -3.319 10.678 2.941 1.00 0.00 C ATOM 1231 C LYS A 81 -2.615 11.951 3.409 1.00 0.00 C ATOM 1232 O LYS A 81 -1.794 11.881 4.318 1.00 0.00 O ATOM 1233 CB LYS A 81 -4.719 10.561 3.584 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.811 9.908 4.977 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.952 10.539 6.086 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.254 12.014 6.365 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.621 12.208 6.877 1.00 0.00 N ATOM 0 H LYS A 81 -1.666 9.871 3.874 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.479 10.687 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.142 11.563 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.355 9.994 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.853 9.931 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.530 8.859 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.096 9.972 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.901 10.442 5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.537 12.401 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.124 12.591 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.785 13.220 7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.307 11.863 6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.738 11.679 7.765 1.00 0.00 H new ATOM 1251 N GLY A 82 -2.915 13.106 2.814 1.00 0.00 N ATOM 1252 CA GLY A 82 -2.422 14.402 3.271 1.00 0.00 C ATOM 1253 C GLY A 82 -0.980 14.427 3.798 1.00 0.00 C ATOM 1254 O GLY A 82 -0.731 14.937 4.889 1.00 0.00 O ATOM 0 H GLY A 82 -3.515 13.167 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.498 15.109 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.082 14.762 4.060 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.029 13.873 3.044 1.00 0.00 N ATOM 1259 CA GLY A 83 1.381 13.880 3.408 1.00 0.00 C ATOM 1260 C GLY A 83 1.751 13.049 4.640 1.00 0.00 C ATOM 1261 O GLY A 83 2.858 13.210 5.149 1.00 0.00 O ATOM 0 H GLY A 83 -0.221 13.405 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.959 13.515 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.688 14.911 3.582 1.00 0.00 H new ATOM 1265 N LYS A 84 0.879 12.153 5.117 1.00 0.00 N ATOM 1266 CA LYS A 84 1.136 11.318 6.287 1.00 0.00 C ATOM 1267 C LYS A 84 0.451 9.956 6.153 1.00 0.00 C ATOM 1268 O LYS A 84 -0.308 9.713 5.215 1.00 0.00 O ATOM 1269 CB LYS A 84 0.639 12.030 7.555 1.00 0.00 C ATOM 1270 CG LYS A 84 1.460 13.286 7.867 1.00 0.00 C ATOM 1271 CD LYS A 84 1.276 13.729 9.323 1.00 0.00 C ATOM 1272 CE LYS A 84 -0.167 14.165 9.599 1.00 0.00 C ATOM 1273 NZ LYS A 84 -0.314 14.696 10.965 1.00 0.00 N ATOM 0 H LYS A 84 -0.034 11.989 4.694 1.00 0.00 H new ATOM 0 HA LYS A 84 2.211 11.153 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.409 12.303 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.691 11.344 8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.515 13.089 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.160 14.093 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.544 12.910 9.990 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.955 14.553 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.464 14.926 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.838 13.317 9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.301 14.983 11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.054 13.961 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.309 15.520 11.086 1.00 0.00 H new ATOM 1287 N LYS A 85 0.759 9.062 7.097 1.00 0.00 N ATOM 1288 CA LYS A 85 0.206 7.720 7.182 1.00 0.00 C ATOM 1289 C LYS A 85 -1.125 7.764 7.946 1.00 0.00 C ATOM 1290 O LYS A 85 -1.404 8.724 8.663 1.00 0.00 O ATOM 1291 CB LYS A 85 1.227 6.809 7.881 1.00 0.00 C ATOM 1292 CG LYS A 85 0.884 5.318 7.734 1.00 0.00 C ATOM 1293 CD LYS A 85 1.971 4.409 8.311 1.00 0.00 C ATOM 1294 CE LYS A 85 2.052 4.488 9.839 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.043 3.535 10.366 1.00 0.00 N ATOM 0 H LYS A 85 1.422 9.266 7.844 1.00 0.00 H new ATOM 0 HA LYS A 85 0.008 7.321 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.218 6.993 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.273 7.065 8.939 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.061 5.114 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.740 5.083 6.679 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.774 3.379 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.935 4.685 7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.320 5.501 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.074 4.276 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.078 3.609 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.772 2.568 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.980 3.755 9.971 1.00 0.00 H new ATOM 1309 N CYS A 86 -1.934 6.716 7.790 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.221 6.517 8.443 1.00 0.00 C ATOM 1311 C CYS A 86 -3.284 5.115 9.048 1.00 0.00 C ATOM 1312 O CYS A 86 -3.375 4.962 10.263 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.347 6.687 7.423 1.00 0.00 C ATOM 1314 SG CYS A 86 -5.922 6.463 8.282 1.00 0.00 S ATOM 0 H CYS A 86 -1.693 5.943 7.170 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.338 7.255 9.236 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.300 7.675 6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.245 5.958 6.619 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.901 6.604 7.438 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.213 4.094 8.187 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.293 2.683 8.569 1.00 0.00 C ATOM 1322 C GLU A 87 -1.962 1.983 8.305 1.00 0.00 C ATOM 1323 O GLU A 87 -1.160 2.476 7.513 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.386 1.971 7.757 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.731 2.710 7.754 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.744 2.037 6.833 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.775 0.786 6.827 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -7.469 2.787 6.144 1.00 0.00 O ATOM 0 H GLU A 87 -3.096 4.231 7.183 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.530 2.637 9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.044 1.853 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.532 0.969 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.129 2.745 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.579 3.741 7.435 1.00 0.00 H new ATOM 1335 N THR A 88 -1.762 0.816 8.926 1.00 0.00 N ATOM 1336 CA THR A 88 -0.595 -0.039 8.757 1.00 0.00 C ATOM 1337 C THR A 88 -1.011 -1.474 9.096 1.00 0.00 C ATOM 1338 O THR A 88 -1.689 -1.682 10.100 1.00 0.00 O ATOM 1339 CB THR A 88 0.577 0.474 9.613 1.00 0.00 C ATOM 1340 OG1 THR A 88 1.666 -0.419 9.497 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.230 0.627 11.099 1.00 0.00 C ATOM 0 H THR A 88 -2.439 0.431 9.585 1.00 0.00 H new ATOM 0 HA THR A 88 -0.236 -0.020 7.728 1.00 0.00 H new ATOM 0 HB THR A 88 0.826 1.465 9.234 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.299 -0.078 8.831 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.103 0.992 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.589 1.337 11.210 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.070 -0.339 11.504 1.00 0.00 H new ATOM 1349 N ILE A 89 -0.680 -2.446 8.242 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.017 -3.853 8.397 1.00 0.00 C ATOM 1351 C ILE A 89 0.207 -4.650 7.936 1.00 0.00 C ATOM 1352 O ILE A 89 0.555 -4.594 6.757 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.255 -4.218 7.546 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.384 -3.170 7.634 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.763 -5.593 8.002 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.545 -3.475 6.681 1.00 0.00 C ATOM 0 H ILE A 89 -0.149 -2.261 7.391 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.266 -4.081 9.433 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.952 -4.241 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.759 -3.130 8.657 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.979 -2.184 7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.638 -5.871 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.979 -6.336 7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.034 -5.549 9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.311 -2.707 6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.179 -3.488 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.971 -4.448 6.926 1.00 0.00 H new ATOM 1368 N ILE A 90 0.875 -5.360 8.848 1.00 0.00 N ATOM 1369 CA ILE A 90 2.072 -6.142 8.547 1.00 0.00 C ATOM 1370 C ILE A 90 1.675 -7.610 8.376 1.00 0.00 C ATOM 1371 O ILE A 90 0.862 -8.120 9.145 1.00 0.00 O ATOM 1372 CB ILE A 90 3.115 -5.957 9.671 1.00 0.00 C ATOM 1373 CG1 ILE A 90 3.411 -4.455 9.868 1.00 0.00 C ATOM 1374 CG2 ILE A 90 4.404 -6.722 9.320 1.00 0.00 C ATOM 1375 CD1 ILE A 90 4.483 -4.169 10.924 1.00 0.00 C ATOM 0 H ILE A 90 0.595 -5.407 9.828 1.00 0.00 H new ATOM 0 HA ILE A 90 2.528 -5.798 7.618 1.00 0.00 H new ATOM 0 HB ILE A 90 2.717 -6.358 10.603 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.729 -4.029 8.916 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.490 -3.947 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 90 5.135 -6.587 10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.179 -7.783 9.210 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.812 -6.338 8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.636 -3.093 11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.159 -4.564 11.887 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.418 -4.647 10.632 1.00 0.00 H new ATOM 1387 N GLY A 91 2.267 -8.287 7.387 1.00 0.00 N ATOM 1388 CA GLY A 91 2.025 -9.691 7.092 1.00 0.00 C ATOM 1389 C GLY A 91 1.051 -9.840 5.926 1.00 0.00 C ATOM 1390 O GLY A 91 0.180 -8.995 5.718 1.00 0.00 O ATOM 0 H GLY A 91 2.944 -7.857 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.967 -10.184 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.622 -10.188 7.974 1.00 0.00 H new ATOM 1394 N ALA A 92 1.209 -10.907 5.133 1.00 0.00 N ATOM 1395 CA ALA A 92 0.349 -11.158 3.984 1.00 0.00 C ATOM 1396 C ALA A 92 -1.042 -11.602 4.432 1.00 0.00 C ATOM 1397 O ALA A 92 -1.384 -12.778 4.330 1.00 0.00 O ATOM 1398 CB ALA A 92 1.003 -12.214 3.094 1.00 0.00 C ATOM 0 H ALA A 92 1.933 -11.612 5.273 1.00 0.00 H new ATOM 0 HA ALA A 92 0.227 -10.236 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.366 -12.408 2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.974 -11.853 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.137 -13.135 3.661 1.00 0.00 H new ATOM 1404 N VAL A 93 -1.856 -10.662 4.913 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.214 -10.978 5.331 1.00 0.00 C ATOM 1406 C VAL A 93 -4.087 -11.084 4.068 1.00 0.00 C ATOM 1407 O VAL A 93 -3.836 -10.365 3.099 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.751 -9.914 6.304 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.880 -9.819 7.563 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.896 -8.525 5.670 1.00 0.00 C ATOM 0 H VAL A 93 -1.597 -9.681 5.021 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.233 -11.926 5.868 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.751 -10.250 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.286 -9.058 8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.872 -10.782 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.862 -9.549 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.279 -7.825 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.923 -8.183 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.589 -8.579 4.830 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.091 -11.977 4.025 1.00 0.00 N ATOM 1421 CA PRO A 94 -5.941 -12.125 2.853 1.00 0.00 C ATOM 1422 C PRO A 94 -6.717 -10.850 2.511 1.00 0.00 C ATOM 1423 O PRO A 94 -6.986 -10.021 3.382 1.00 0.00 O ATOM 1424 CB PRO A 94 -6.924 -13.252 3.190 1.00 0.00 C ATOM 1425 CG PRO A 94 -6.194 -14.062 4.258 1.00 0.00 C ATOM 1426 CD PRO A 94 -5.416 -12.991 5.019 1.00 0.00 C ATOM 0 HA PRO A 94 -5.326 -12.342 1.979 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.870 -12.860 3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.153 -13.859 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.889 -14.595 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.532 -14.808 3.818 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.013 -12.572 5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.514 -13.405 5.469 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.135 -10.743 1.242 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.973 -9.674 0.718 1.00 0.00 C ATOM 1436 C LYS A 95 -9.084 -9.351 1.706 1.00 0.00 C ATOM 1437 O LYS A 95 -9.272 -8.198 2.064 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.574 -10.115 -0.628 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.726 -9.207 -1.089 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.005 -9.373 -2.586 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.161 -8.479 -3.043 1.00 0.00 C ATOM 1442 NZ LYS A 95 -12.452 -8.867 -2.448 1.00 0.00 N ATOM 0 H LYS A 95 -6.885 -11.430 0.531 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.369 -8.779 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.792 -10.117 -1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.936 -11.139 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.626 -9.443 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.479 -8.167 -0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.108 -9.128 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.243 -10.415 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.941 -7.445 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.239 -8.521 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.211 -8.284 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.639 -9.870 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.418 -8.721 -1.419 1.00 0.00 H new ATOM 1456 N ALA A 96 -9.805 -10.379 2.150 1.00 0.00 N ATOM 1457 CA ALA A 96 -10.901 -10.254 3.106 1.00 0.00 C ATOM 1458 C ALA A 96 -10.524 -9.357 4.294 1.00 0.00 C ATOM 1459 O ALA A 96 -11.318 -8.520 4.729 1.00 0.00 O ATOM 1460 CB ALA A 96 -11.295 -11.649 3.600 1.00 0.00 C ATOM 0 H ALA A 96 -9.640 -11.339 1.849 1.00 0.00 H new ATOM 0 HA ALA A 96 -11.745 -9.783 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.113 -11.564 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.614 -12.258 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.439 -12.119 4.083 1.00 0.00 H new ATOM 1466 N THR A 97 -9.319 -9.538 4.837 1.00 0.00 N ATOM 1467 CA THR A 97 -8.831 -8.755 5.957 1.00 0.00 C ATOM 1468 C THR A 97 -8.578 -7.316 5.503 1.00 0.00 C ATOM 1469 O THR A 97 -9.024 -6.379 6.164 1.00 0.00 O ATOM 1470 CB THR A 97 -7.557 -9.416 6.499 1.00 0.00 C ATOM 1471 OG1 THR A 97 -7.767 -10.810 6.605 1.00 0.00 O ATOM 1472 CG2 THR A 97 -7.180 -8.868 7.878 1.00 0.00 C ATOM 0 H THR A 97 -8.656 -10.238 4.505 1.00 0.00 H new ATOM 0 HA THR A 97 -9.569 -8.722 6.758 1.00 0.00 H new ATOM 0 HB THR A 97 -6.743 -9.197 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.112 -11.193 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.273 -9.360 8.229 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.007 -7.794 7.808 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.992 -9.059 8.580 1.00 0.00 H new ATOM 1480 N ILE A 98 -7.875 -7.141 4.377 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.556 -5.825 3.822 1.00 0.00 C ATOM 1482 C ILE A 98 -8.857 -5.029 3.645 1.00 0.00 C ATOM 1483 O ILE A 98 -8.992 -3.920 4.160 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.780 -5.975 2.490 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.486 -6.785 2.693 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.447 -4.574 1.949 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.715 -7.049 1.394 1.00 0.00 C ATOM 0 H ILE A 98 -7.510 -7.916 3.823 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.908 -5.277 4.506 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.401 -6.513 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.838 -6.250 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.734 -7.739 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.900 -4.667 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.371 -4.021 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.834 -4.040 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.816 -7.624 1.615 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.345 -7.611 0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.435 -6.100 0.938 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.806 -5.633 2.928 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.145 -5.151 2.638 1.00 0.00 C ATOM 1501 C VAL A 99 -11.782 -4.630 3.923 1.00 0.00 C ATOM 1502 O VAL A 99 -12.026 -3.433 4.041 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.935 -6.315 1.994 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.464 -6.208 2.053 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.511 -6.464 0.527 1.00 0.00 C ATOM 0 H VAL A 99 -9.638 -6.545 2.504 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.138 -4.317 1.936 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.683 -7.187 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.909 -7.079 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.786 -6.165 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.786 -5.304 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.065 -7.283 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.723 -5.539 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.443 -6.676 0.477 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.017 -5.512 4.898 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.656 -5.126 6.151 1.00 0.00 C ATOM 1517 C GLN A 100 -11.898 -3.985 6.833 1.00 0.00 C ATOM 1518 O GLN A 100 -12.499 -2.985 7.233 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.731 -6.348 7.070 1.00 0.00 C ATOM 1520 CG GLN A 100 -13.810 -7.318 6.578 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.739 -8.644 7.323 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.548 -8.927 8.199 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -12.758 -9.468 6.975 1.00 0.00 N ATOM 0 H GLN A 100 -11.772 -6.500 4.840 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.662 -4.765 5.938 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.765 -6.851 7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.954 -6.032 8.089 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.795 -6.872 6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.687 -7.491 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.103 -9.199 6.241 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.660 -10.370 7.441 1.00 0.00 H new ATOM 1532 N THR A 101 -10.578 -4.134 6.958 1.00 0.00 N ATOM 1533 CA THR A 101 -9.756 -3.151 7.643 1.00 0.00 C ATOM 1534 C THR A 101 -9.920 -1.770 7.011 1.00 0.00 C ATOM 1535 O THR A 101 -10.203 -0.822 7.732 1.00 0.00 O ATOM 1536 CB THR A 101 -8.284 -3.586 7.671 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.181 -4.859 8.272 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.447 -2.606 8.501 1.00 0.00 C ATOM 0 H THR A 101 -10.059 -4.932 6.590 1.00 0.00 H new ATOM 0 HA THR A 101 -10.097 -3.084 8.676 1.00 0.00 H new ATOM 0 HB THR A 101 -7.917 -3.608 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.411 -5.550 7.616 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.407 -2.932 8.509 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.512 -1.610 8.063 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.826 -2.578 9.523 1.00 0.00 H new ATOM 1546 N VAL A 102 -9.757 -1.640 5.692 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.844 -0.337 5.039 1.00 0.00 C ATOM 1548 C VAL A 102 -11.283 0.173 5.052 1.00 0.00 C ATOM 1549 O VAL A 102 -11.522 1.343 5.346 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.212 -0.422 3.636 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.130 -0.822 2.479 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.533 0.905 3.282 1.00 0.00 C ATOM 0 H VAL A 102 -9.565 -2.418 5.061 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.270 0.408 5.591 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.505 -1.246 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.558 -0.843 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.547 -1.811 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.940 -0.098 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.090 0.833 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.272 1.706 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.753 1.121 4.012 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.244 -0.713 4.784 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.664 -0.378 4.773 1.00 0.00 C ATOM 1564 C GLU A 103 -14.100 0.309 6.065 1.00 0.00 C ATOM 1565 O GLU A 103 -14.934 1.208 6.023 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.502 -1.627 4.508 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.535 -1.903 3.000 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.293 -3.174 2.637 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.628 -3.945 3.562 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.500 -3.363 1.417 1.00 0.00 O ATOM 0 H GLU A 103 -12.054 -1.691 4.567 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.829 0.333 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.080 -2.481 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.515 -1.487 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.996 -1.056 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.513 -1.979 2.629 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.544 -0.102 7.207 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.798 0.566 8.482 1.00 0.00 C ATOM 1579 C LYS A 104 -13.664 2.084 8.328 1.00 0.00 C ATOM 1580 O LYS A 104 -14.476 2.848 8.846 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.761 0.093 9.511 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.879 0.794 10.873 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.622 0.626 11.736 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.210 -0.833 11.973 1.00 0.00 C ATOM 1585 NZ LYS A 104 -10.365 -1.356 10.883 1.00 0.00 N ATOM 0 H LYS A 104 -12.911 -0.899 7.273 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.809 0.322 8.809 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.869 -0.982 9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.761 0.262 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.067 1.856 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.739 0.394 11.410 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.795 1.152 11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.791 1.105 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.670 -0.908 12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.103 -1.451 12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.672 -2.026 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.962 -1.842 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.865 -0.569 10.423 1.00 0.00 H new ATOM 1599 N TYR A 105 -12.587 2.504 7.664 1.00 0.00 N ATOM 1600 CA TYR A 105 -12.217 3.895 7.513 1.00 0.00 C ATOM 1601 C TYR A 105 -12.886 4.516 6.281 1.00 0.00 C ATOM 1602 O TYR A 105 -13.355 5.649 6.348 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.689 3.963 7.444 1.00 0.00 C ATOM 1604 CG TYR A 105 -9.959 3.339 8.619 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.726 4.078 9.794 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.414 2.052 8.492 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.927 3.537 10.817 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.616 1.509 9.512 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.356 2.262 10.669 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.582 1.746 11.664 1.00 0.00 O ATOM 0 H TYR A 105 -11.937 1.863 7.208 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.567 4.480 8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.361 3.469 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.391 5.009 7.366 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.161 5.060 9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.610 1.474 7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.752 4.104 11.720 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.204 0.516 9.407 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.265 0.856 11.404 1.00 0.00 H new