USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 512 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 54 LYS NZ :NH3+ 158:sc= -0.0415 (180deg=-0.278) USER MOD Set 1.2: A 57 SER OG : rot -58:sc= 1.09 USER MOD Single : A 10 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 20 SER OG : rot -44:sc= 1.16 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.45 K(o=-2.5,f=-8.2!) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.0319 (180deg=-0.317) USER MOD Single : A 42 ASN : amide:sc= 0.898 K(o=0.9,f=-0.38) USER MOD Single : A 45 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00136 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N ASN A 10 -1.017 5.134 -4.181 1.00 0.00 N ATOM 94 CA ASN A 10 -2.060 4.118 -4.274 1.00 0.00 C ATOM 95 C ASN A 10 -1.586 2.795 -3.681 1.00 0.00 C ATOM 96 O ASN A 10 -0.629 2.192 -4.169 1.00 0.00 O ATOM 97 CB ASN A 10 -2.475 3.917 -5.733 1.00 0.00 C ATOM 98 CG ASN A 10 -2.466 5.212 -6.521 1.00 0.00 C ATOM 99 OD1 ASN A 10 -3.461 5.936 -6.559 1.00 0.00 O ATOM 100 ND2 ASN A 10 -1.338 5.511 -7.155 1.00 0.00 N ATOM 0 HA ASN A 10 -2.921 4.463 -3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.800 3.203 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.474 3.481 -5.767 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.272 6.370 -7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -0.538 4.882 -7.096 1.00 0.00 H new ATOM 107 N TYR A 11 -2.261 2.350 -2.627 1.00 0.00 N ATOM 108 CA TYR A 11 -1.908 1.099 -1.967 1.00 0.00 C ATOM 109 C TYR A 11 -1.773 -0.034 -2.980 1.00 0.00 C ATOM 110 O TYR A 11 -0.742 -0.703 -3.046 1.00 0.00 O ATOM 111 CB TYR A 11 -2.961 0.737 -0.918 1.00 0.00 C ATOM 112 CG TYR A 11 -2.976 1.670 0.272 1.00 0.00 C ATOM 113 CD1 TYR A 11 -1.801 2.001 0.935 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.166 2.221 0.733 1.00 0.00 C ATOM 115 CE1 TYR A 11 -1.810 2.852 2.023 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.184 3.074 1.819 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.004 3.386 2.461 1.00 0.00 C ATOM 118 OH TYR A 11 -3.018 4.235 3.544 1.00 0.00 O ATOM 0 H TYR A 11 -3.055 2.837 -2.212 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.946 1.237 -1.474 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.945 0.743 -1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.780 -0.280 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.864 1.586 0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.092 1.978 0.233 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.887 3.098 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.117 3.494 2.164 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.938 4.523 3.722 1.00 0.00 H new ATOM 128 N TYR A 12 -2.821 -0.241 -3.768 1.00 0.00 N ATOM 129 CA TYR A 12 -2.823 -1.293 -4.778 1.00 0.00 C ATOM 130 C TYR A 12 -1.565 -1.223 -5.639 1.00 0.00 C ATOM 131 O TYR A 12 -0.949 -2.245 -5.940 1.00 0.00 O ATOM 132 CB TYR A 12 -4.066 -1.180 -5.661 1.00 0.00 C ATOM 133 CG TYR A 12 -5.341 -1.610 -4.971 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.581 -2.949 -4.687 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.304 -0.679 -4.605 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.745 -3.347 -4.057 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.470 -1.068 -3.973 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.686 -2.403 -3.702 1.00 0.00 C ATOM 139 OH TYR A 12 -8.846 -2.795 -3.074 1.00 0.00 O ATOM 0 H TYR A 12 -3.681 0.306 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.838 -2.254 -4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.173 -0.147 -5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.923 -1.788 -6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.846 -3.691 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.139 0.367 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.917 -4.392 -3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.208 -0.331 -3.693 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.401 -2.008 -2.891 1.00 0.00 H new ATOM 149 N GLU A 13 -1.191 -0.009 -6.031 1.00 0.00 N ATOM 150 CA GLU A 13 -0.007 0.195 -6.857 1.00 0.00 C ATOM 151 C GLU A 13 1.254 -0.250 -6.121 1.00 0.00 C ATOM 152 O GLU A 13 2.028 -1.063 -6.626 1.00 0.00 O ATOM 153 CB GLU A 13 0.116 1.666 -7.257 1.00 0.00 C ATOM 154 CG GLU A 13 -0.967 2.127 -8.219 1.00 0.00 C ATOM 155 CD GLU A 13 -0.862 1.462 -9.578 1.00 0.00 C ATOM 156 OE1 GLU A 13 -1.059 0.231 -9.651 1.00 0.00 O ATOM 157 OE2 GLU A 13 -0.584 2.172 -10.566 1.00 0.00 O ATOM 0 H GLU A 13 -1.690 0.847 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.115 -0.411 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.079 2.283 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.091 1.829 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.945 1.913 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.902 3.208 -8.342 1.00 0.00 H new ATOM 164 N VAL A 14 1.454 0.290 -4.923 1.00 0.00 N ATOM 165 CA VAL A 14 2.620 -0.050 -4.116 1.00 0.00 C ATOM 166 C VAL A 14 2.871 -1.554 -4.120 1.00 0.00 C ATOM 167 O VAL A 14 3.983 -2.008 -4.393 1.00 0.00 O ATOM 168 CB VAL A 14 2.454 0.427 -2.661 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.611 -0.061 -1.803 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.343 1.944 -2.607 1.00 0.00 C ATOM 0 H VAL A 14 0.824 0.965 -4.490 1.00 0.00 H new ATOM 0 HA VAL A 14 3.474 0.460 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 14 1.533 0.003 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.476 0.286 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.640 -1.151 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.548 0.331 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.226 2.264 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.246 2.390 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.478 2.266 -3.186 1.00 0.00 H new ATOM 180 N LEU A 15 1.831 -2.322 -3.816 1.00 0.00 N ATOM 181 CA LEU A 15 1.938 -3.777 -3.786 1.00 0.00 C ATOM 182 C LEU A 15 2.064 -4.344 -5.196 1.00 0.00 C ATOM 183 O LEU A 15 2.867 -5.241 -5.447 1.00 0.00 O ATOM 184 CB LEU A 15 0.720 -4.383 -3.087 1.00 0.00 C ATOM 185 CG LEU A 15 0.771 -4.419 -1.559 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.588 -4.791 -0.988 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.837 -5.397 -1.085 1.00 0.00 C ATOM 0 H LEU A 15 0.904 -1.962 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 15 2.837 -4.039 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.164 -3.820 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.588 -5.402 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 15 1.033 -3.424 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.532 -4.812 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.328 -4.054 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.880 -5.775 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.860 -5.410 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.605 -6.396 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.810 -5.086 -1.465 1.00 0.00 H new ATOM 199 N GLY A 16 1.265 -3.811 -6.116 1.00 0.00 N ATOM 200 CA GLY A 16 1.304 -4.274 -7.491 1.00 0.00 C ATOM 201 C GLY A 16 0.228 -5.300 -7.788 1.00 0.00 C ATOM 202 O GLY A 16 0.469 -6.277 -8.496 1.00 0.00 O ATOM 0 H GLY A 16 0.592 -3.067 -5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.185 -3.423 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.282 -4.708 -7.697 1.00 0.00 H new ATOM 206 N VAL A 17 -0.965 -5.078 -7.244 1.00 0.00 N ATOM 207 CA VAL A 17 -2.083 -5.990 -7.454 1.00 0.00 C ATOM 208 C VAL A 17 -3.351 -5.230 -7.824 1.00 0.00 C ATOM 209 O VAL A 17 -3.388 -4.001 -7.768 1.00 0.00 O ATOM 210 CB VAL A 17 -2.355 -6.842 -6.200 1.00 0.00 C ATOM 211 CG1 VAL A 17 -1.156 -7.721 -5.880 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.704 -5.951 -5.017 1.00 0.00 C ATOM 0 H VAL A 17 -1.182 -4.274 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.805 -6.647 -8.278 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.207 -7.491 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.367 -8.315 -4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.957 -8.385 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.283 -7.094 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.893 -6.569 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.873 -5.275 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.596 -5.369 -5.250 1.00 0.00 H new ATOM 222 N GLN A 18 -4.389 -5.970 -8.201 1.00 0.00 N ATOM 223 CA GLN A 18 -5.660 -5.364 -8.580 1.00 0.00 C ATOM 224 C GLN A 18 -6.663 -5.439 -7.434 1.00 0.00 C ATOM 225 O GLN A 18 -6.484 -6.208 -6.489 1.00 0.00 O ATOM 226 CB GLN A 18 -6.230 -6.058 -9.818 1.00 0.00 C ATOM 227 CG GLN A 18 -5.452 -5.767 -11.092 1.00 0.00 C ATOM 228 CD GLN A 18 -5.998 -6.515 -12.293 1.00 0.00 C ATOM 229 OE1 GLN A 18 -6.897 -7.347 -12.165 1.00 0.00 O ATOM 230 NE2 GLN A 18 -5.456 -6.221 -13.469 1.00 0.00 N ATOM 0 H GLN A 18 -4.375 -6.989 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.478 -4.314 -8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.242 -7.135 -9.647 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -7.265 -5.745 -9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.479 -4.696 -11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.406 -6.038 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.713 -5.525 -13.528 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.783 -6.691 -14.313 1.00 0.00 H new ATOM 239 N ALA A 19 -7.717 -4.635 -7.523 1.00 0.00 N ATOM 240 CA ALA A 19 -8.749 -4.612 -6.494 1.00 0.00 C ATOM 241 C ALA A 19 -9.470 -5.953 -6.408 1.00 0.00 C ATOM 242 O ALA A 19 -9.876 -6.383 -5.329 1.00 0.00 O ATOM 243 CB ALA A 19 -9.743 -3.493 -6.768 1.00 0.00 C ATOM 0 H ALA A 19 -7.879 -3.991 -8.297 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.266 -4.427 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.508 -3.488 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.222 -2.536 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.212 -3.653 -7.739 1.00 0.00 H new ATOM 249 N SER A 20 -9.626 -6.610 -7.553 1.00 0.00 N ATOM 250 CA SER A 20 -10.302 -7.901 -7.608 1.00 0.00 C ATOM 251 C SER A 20 -9.341 -9.033 -7.256 1.00 0.00 C ATOM 252 O SER A 20 -9.614 -10.201 -7.531 1.00 0.00 O ATOM 253 CB SER A 20 -10.892 -8.133 -9.000 1.00 0.00 C ATOM 254 OG SER A 20 -11.537 -9.392 -9.078 1.00 0.00 O ATOM 0 H SER A 20 -9.293 -6.269 -8.455 1.00 0.00 H new ATOM 0 HA SER A 20 -11.109 -7.892 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.604 -7.341 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.100 -8.080 -9.747 1.00 0.00 H new ATOM 0 HG SER A 20 -10.973 -10.075 -8.658 1.00 0.00 H new ATOM 260 N ALA A 21 -8.216 -8.676 -6.646 1.00 0.00 N ATOM 261 CA ALA A 21 -7.215 -9.661 -6.254 1.00 0.00 C ATOM 262 C ALA A 21 -7.687 -10.475 -5.054 1.00 0.00 C ATOM 263 O ALA A 21 -8.648 -10.105 -4.379 1.00 0.00 O ATOM 264 CB ALA A 21 -5.893 -8.974 -5.941 1.00 0.00 C ATOM 0 H ALA A 21 -7.975 -7.713 -6.413 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.068 -10.346 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.155 -9.721 -5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.541 -8.442 -6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.035 -8.267 -5.124 1.00 0.00 H new ATOM 270 N SER A 22 -7.005 -11.586 -4.793 1.00 0.00 N ATOM 271 CA SER A 22 -7.357 -12.456 -3.677 1.00 0.00 C ATOM 272 C SER A 22 -6.589 -12.063 -2.419 1.00 0.00 C ATOM 273 O SER A 22 -5.548 -11.408 -2.475 1.00 0.00 O ATOM 274 CB SER A 22 -7.069 -13.916 -4.030 1.00 0.00 C ATOM 275 OG SER A 22 -8.138 -14.484 -4.767 1.00 0.00 O ATOM 0 H SER A 22 -6.205 -11.905 -5.340 1.00 0.00 H new ATOM 0 HA SER A 22 -8.423 -12.341 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.149 -13.978 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.908 -14.489 -3.117 1.00 0.00 H new ATOM 0 HG SER A 22 -7.928 -15.417 -4.981 1.00 0.00 H new ATOM 281 N PRO A 23 -7.114 -12.472 -1.254 1.00 0.00 N ATOM 282 CA PRO A 23 -6.494 -12.176 0.041 1.00 0.00 C ATOM 283 C PRO A 23 -5.190 -12.939 0.248 1.00 0.00 C ATOM 284 O PRO A 23 -4.452 -12.677 1.197 1.00 0.00 O ATOM 285 CB PRO A 23 -7.548 -12.635 1.051 1.00 0.00 C ATOM 286 CG PRO A 23 -8.336 -13.675 0.332 1.00 0.00 C ATOM 287 CD PRO A 23 -8.352 -13.257 -1.112 1.00 0.00 C ATOM 0 HA PRO A 23 -6.225 -11.124 0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.084 -13.041 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.182 -11.806 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.882 -14.659 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.348 -13.742 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.360 -14.119 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.234 -12.662 -1.348 1.00 0.00 H new ATOM 295 N GLU A 24 -4.913 -13.882 -0.647 1.00 0.00 N ATOM 296 CA GLU A 24 -3.698 -14.683 -0.561 1.00 0.00 C ATOM 297 C GLU A 24 -2.592 -14.088 -1.427 1.00 0.00 C ATOM 298 O GLU A 24 -1.419 -14.103 -1.053 1.00 0.00 O ATOM 299 CB GLU A 24 -3.978 -16.124 -0.991 1.00 0.00 C ATOM 300 CG GLU A 24 -2.741 -17.007 -1.005 1.00 0.00 C ATOM 301 CD GLU A 24 -3.040 -18.423 -1.455 1.00 0.00 C ATOM 302 OE1 GLU A 24 -3.411 -19.252 -0.597 1.00 0.00 O ATOM 303 OE2 GLU A 24 -2.903 -18.704 -2.664 1.00 0.00 O ATOM 0 H GLU A 24 -5.513 -14.110 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.365 -14.680 0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.716 -16.558 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.421 -16.117 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.994 -16.569 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.305 -17.032 -0.006 1.00 0.00 H new ATOM 310 N ASP A 25 -2.974 -13.565 -2.587 1.00 0.00 N ATOM 311 CA ASP A 25 -2.016 -12.964 -3.508 1.00 0.00 C ATOM 312 C ASP A 25 -1.303 -11.783 -2.856 1.00 0.00 C ATOM 313 O ASP A 25 -0.078 -11.678 -2.912 1.00 0.00 O ATOM 314 CB ASP A 25 -2.721 -12.508 -4.786 1.00 0.00 C ATOM 315 CG ASP A 25 -2.921 -13.642 -5.773 1.00 0.00 C ATOM 316 OD1 ASP A 25 -3.631 -14.610 -5.430 1.00 0.00 O ATOM 317 OD2 ASP A 25 -2.367 -13.560 -6.889 1.00 0.00 O ATOM 0 H ASP A 25 -3.941 -13.545 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.272 -13.719 -3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.689 -12.078 -4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.137 -11.718 -5.258 1.00 0.00 H new ATOM 322 N ILE A 26 -2.079 -10.897 -2.240 1.00 0.00 N ATOM 323 CA ILE A 26 -1.522 -9.724 -1.579 1.00 0.00 C ATOM 324 C ILE A 26 -0.532 -10.125 -0.491 1.00 0.00 C ATOM 325 O ILE A 26 0.530 -9.519 -0.347 1.00 0.00 O ATOM 326 CB ILE A 26 -2.627 -8.852 -0.955 1.00 0.00 C ATOM 327 CG1 ILE A 26 -3.594 -8.366 -2.036 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.015 -7.672 -0.215 1.00 0.00 C ATOM 329 CD1 ILE A 26 -4.948 -7.960 -1.498 1.00 0.00 C ATOM 0 H ILE A 26 -3.095 -10.970 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.003 -9.147 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.185 -9.455 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.149 -7.517 -2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.728 -9.157 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.808 -7.065 0.221 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.362 -8.038 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.436 -7.066 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.581 -7.626 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.414 -8.813 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.826 -7.148 -0.781 1.00 0.00 H new ATOM 341 N LYS A 27 -0.885 -11.153 0.274 1.00 0.00 N ATOM 342 CA LYS A 27 -0.027 -11.639 1.348 1.00 0.00 C ATOM 343 C LYS A 27 1.310 -12.124 0.799 1.00 0.00 C ATOM 344 O LYS A 27 2.370 -11.644 1.202 1.00 0.00 O ATOM 345 CB LYS A 27 -0.720 -12.773 2.108 1.00 0.00 C ATOM 346 CG LYS A 27 0.019 -13.204 3.363 1.00 0.00 C ATOM 347 CD LYS A 27 -0.259 -14.659 3.702 1.00 0.00 C ATOM 348 CE LYS A 27 0.488 -15.601 2.770 1.00 0.00 C ATOM 349 NZ LYS A 27 -0.121 -16.960 2.750 1.00 0.00 N ATOM 0 H LYS A 27 -1.760 -11.666 0.170 1.00 0.00 H new ATOM 0 HA LYS A 27 0.160 -10.812 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.726 -12.455 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.825 -13.632 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.090 -13.060 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.281 -12.571 4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.035 -14.856 4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.330 -14.851 3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.489 -15.189 1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.529 -15.674 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.417 -17.572 2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.099 -17.364 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.107 -16.894 2.425 1.00 0.00 H new ATOM 363 N LYS A 28 1.255 -13.078 -0.125 1.00 0.00 N ATOM 364 CA LYS A 28 2.461 -13.627 -0.732 1.00 0.00 C ATOM 365 C LYS A 28 3.276 -12.530 -1.410 1.00 0.00 C ATOM 366 O LYS A 28 4.500 -12.485 -1.282 1.00 0.00 O ATOM 367 CB LYS A 28 2.097 -14.710 -1.751 1.00 0.00 C ATOM 368 CG LYS A 28 1.341 -14.180 -2.957 1.00 0.00 C ATOM 369 CD LYS A 28 1.124 -15.265 -3.999 1.00 0.00 C ATOM 370 CE LYS A 28 2.413 -15.594 -4.737 1.00 0.00 C ATOM 371 NZ LYS A 28 2.598 -14.736 -5.940 1.00 0.00 N ATOM 0 H LYS A 28 0.387 -13.487 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 28 3.066 -14.070 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.010 -15.199 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.492 -15.471 -1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.378 -13.783 -2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.896 -13.353 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.740 -16.164 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.367 -14.939 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.260 -15.463 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.403 -16.642 -5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.487 -14.991 -6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.802 -14.879 -6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.634 -13.737 -5.652 1.00 0.00 H new ATOM 385 N ALA A 29 2.590 -11.648 -2.129 1.00 0.00 N ATOM 386 CA ALA A 29 3.251 -10.550 -2.823 1.00 0.00 C ATOM 387 C ALA A 29 4.017 -9.664 -1.846 1.00 0.00 C ATOM 388 O ALA A 29 5.196 -9.373 -2.051 1.00 0.00 O ATOM 389 CB ALA A 29 2.232 -9.726 -3.597 1.00 0.00 C ATOM 0 H ALA A 29 1.577 -11.672 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 29 3.968 -10.976 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.739 -8.909 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.732 -10.360 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.494 -9.318 -2.906 1.00 0.00 H new ATOM 395 N TYR A 30 3.340 -9.239 -0.785 1.00 0.00 N ATOM 396 CA TYR A 30 3.957 -8.384 0.222 1.00 0.00 C ATOM 397 C TYR A 30 5.245 -9.007 0.752 1.00 0.00 C ATOM 398 O TYR A 30 6.332 -8.457 0.578 1.00 0.00 O ATOM 399 CB TYR A 30 2.984 -8.136 1.376 1.00 0.00 C ATOM 400 CG TYR A 30 3.668 -7.904 2.705 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.220 -6.669 3.018 1.00 0.00 C ATOM 402 CD2 TYR A 30 3.759 -8.921 3.648 1.00 0.00 C ATOM 403 CE1 TYR A 30 4.846 -6.453 4.230 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.382 -8.713 4.864 1.00 0.00 C ATOM 405 CZ TYR A 30 4.924 -7.478 5.150 1.00 0.00 C ATOM 406 OH TYR A 30 5.546 -7.266 6.359 1.00 0.00 O ATOM 0 H TYR A 30 2.364 -9.472 -0.600 1.00 0.00 H new ATOM 0 HA TYR A 30 4.203 -7.432 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.365 -7.270 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.314 -8.991 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.159 -5.863 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.336 -9.890 3.427 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.272 -5.487 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.444 -9.514 5.586 1.00 0.00 H new ATOM 0 HH TYR A 30 5.514 -8.088 6.892 1.00 0.00 H new ATOM 416 N ARG A 31 5.113 -10.160 1.400 1.00 0.00 N ATOM 417 CA ARG A 31 6.264 -10.860 1.957 1.00 0.00 C ATOM 418 C ARG A 31 7.469 -10.751 1.026 1.00 0.00 C ATOM 419 O ARG A 31 8.521 -10.242 1.412 1.00 0.00 O ATOM 420 CB ARG A 31 5.925 -12.332 2.199 1.00 0.00 C ATOM 421 CG ARG A 31 4.795 -12.541 3.193 1.00 0.00 C ATOM 422 CD ARG A 31 4.917 -13.881 3.902 1.00 0.00 C ATOM 423 NE ARG A 31 5.751 -13.793 5.098 1.00 0.00 N ATOM 424 CZ ARG A 31 5.704 -14.673 6.092 1.00 0.00 C ATOM 425 NH1 ARG A 31 4.870 -15.702 6.033 1.00 0.00 N ATOM 426 NH2 ARG A 31 6.495 -14.526 7.148 1.00 0.00 N ATOM 0 H ARG A 31 4.220 -10.629 1.552 1.00 0.00 H new ATOM 0 HA ARG A 31 6.517 -10.392 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.653 -12.794 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.815 -12.846 2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.803 -11.737 3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.838 -12.489 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.924 -14.237 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.341 -14.616 3.218 1.00 0.00 H new ATOM 0 HE ARG A 31 6.405 -13.014 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.262 -15.820 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.837 -16.376 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.139 -13.737 7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.458 -15.202 7.911 1.00 0.00 H new ATOM 440 N LYS A 32 7.307 -11.232 -0.202 1.00 0.00 N ATOM 441 CA LYS A 32 8.379 -11.188 -1.188 1.00 0.00 C ATOM 442 C LYS A 32 8.837 -9.754 -1.432 1.00 0.00 C ATOM 443 O LYS A 32 10.035 -9.480 -1.521 1.00 0.00 O ATOM 444 CB LYS A 32 7.915 -11.817 -2.504 1.00 0.00 C ATOM 445 CG LYS A 32 7.341 -13.214 -2.342 1.00 0.00 C ATOM 446 CD LYS A 32 8.409 -14.210 -1.922 1.00 0.00 C ATOM 447 CE LYS A 32 9.087 -14.842 -3.128 1.00 0.00 C ATOM 448 NZ LYS A 32 8.318 -16.006 -3.649 1.00 0.00 N ATOM 0 H LYS A 32 6.443 -11.657 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 32 9.222 -11.758 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.161 -11.174 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.757 -11.857 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.545 -13.197 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.892 -13.535 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.155 -13.707 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.960 -14.989 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.196 -14.096 -3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.091 -15.164 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.812 -16.409 -4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.236 -16.729 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.368 -15.694 -3.935 1.00 0.00 H new ATOM 462 N LEU A 33 7.877 -8.841 -1.536 1.00 0.00 N ATOM 463 CA LEU A 33 8.182 -7.434 -1.767 1.00 0.00 C ATOM 464 C LEU A 33 9.101 -6.889 -0.679 1.00 0.00 C ATOM 465 O LEU A 33 10.139 -6.296 -0.969 1.00 0.00 O ATOM 466 CB LEU A 33 6.891 -6.614 -1.818 1.00 0.00 C ATOM 467 CG LEU A 33 6.073 -6.729 -3.104 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.693 -6.118 -2.916 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.800 -6.061 -4.262 1.00 0.00 C ATOM 0 H LEU A 33 6.881 -9.050 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 33 8.696 -7.352 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.260 -6.915 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.144 -5.565 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 33 5.951 -7.786 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.125 -6.209 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.169 -6.642 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.794 -5.065 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.202 -6.153 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.954 -5.006 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.765 -6.544 -4.413 1.00 0.00 H new ATOM 481 N ALA A 34 8.713 -7.098 0.575 1.00 0.00 N ATOM 482 CA ALA A 34 9.504 -6.632 1.707 1.00 0.00 C ATOM 483 C ALA A 34 10.987 -6.915 1.494 1.00 0.00 C ATOM 484 O ALA A 34 11.831 -6.037 1.684 1.00 0.00 O ATOM 485 CB ALA A 34 9.020 -7.285 2.994 1.00 0.00 C ATOM 0 H ALA A 34 7.856 -7.587 0.832 1.00 0.00 H new ATOM 0 HA ALA A 34 9.375 -5.553 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.620 -6.928 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.974 -7.028 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.119 -8.367 2.912 1.00 0.00 H new ATOM 491 N LEU A 35 11.299 -8.144 1.100 1.00 0.00 N ATOM 492 CA LEU A 35 12.682 -8.543 0.861 1.00 0.00 C ATOM 493 C LEU A 35 13.260 -7.811 -0.346 1.00 0.00 C ATOM 494 O LEU A 35 14.400 -7.348 -0.316 1.00 0.00 O ATOM 495 CB LEU A 35 12.767 -10.055 0.644 1.00 0.00 C ATOM 496 CG LEU A 35 14.172 -10.659 0.668 1.00 0.00 C ATOM 497 CD1 LEU A 35 14.102 -12.165 0.863 1.00 0.00 C ATOM 498 CD2 LEU A 35 14.921 -10.319 -0.612 1.00 0.00 C ATOM 0 H LEU A 35 10.613 -8.882 0.939 1.00 0.00 H new ATOM 0 HA LEU A 35 13.268 -8.275 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.169 -10.546 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.308 -10.290 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 35 14.717 -10.229 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.111 -12.577 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.606 -12.387 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.539 -12.612 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.919 -10.757 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.379 -10.720 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.003 -9.236 -0.709 1.00 0.00 H new ATOM 510 N ARG A 36 12.464 -7.709 -1.406 1.00 0.00 N ATOM 511 CA ARG A 36 12.896 -7.032 -2.623 1.00 0.00 C ATOM 512 C ARG A 36 13.296 -5.589 -2.330 1.00 0.00 C ATOM 513 O ARG A 36 14.403 -5.163 -2.657 1.00 0.00 O ATOM 514 CB ARG A 36 11.782 -7.061 -3.671 1.00 0.00 C ATOM 515 CG ARG A 36 12.160 -6.389 -4.980 1.00 0.00 C ATOM 516 CD ARG A 36 11.442 -7.026 -6.161 1.00 0.00 C ATOM 517 NE ARG A 36 11.804 -6.394 -7.426 1.00 0.00 N ATOM 518 CZ ARG A 36 12.975 -6.571 -8.028 1.00 0.00 C ATOM 519 NH1 ARG A 36 13.892 -7.357 -7.482 1.00 0.00 N ATOM 520 NH2 ARG A 36 13.230 -5.961 -9.179 1.00 0.00 N ATOM 0 H ARG A 36 11.517 -8.086 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 36 13.766 -7.560 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.509 -8.097 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.898 -6.571 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.912 -5.329 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.238 -6.458 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.685 -8.088 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.365 -6.951 -6.014 1.00 0.00 H new ATOM 0 HE ARG A 36 11.120 -5.783 -7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.699 -7.828 -6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.790 -7.491 -7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.527 -5.356 -9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.129 -6.098 -9.640 1.00 0.00 H new ATOM 534 N TRP A 37 12.387 -4.843 -1.712 1.00 0.00 N ATOM 535 CA TRP A 37 12.645 -3.448 -1.375 1.00 0.00 C ATOM 536 C TRP A 37 13.388 -3.336 -0.049 1.00 0.00 C ATOM 537 O TRP A 37 13.429 -2.268 0.563 1.00 0.00 O ATOM 538 CB TRP A 37 11.331 -2.668 -1.305 1.00 0.00 C ATOM 539 CG TRP A 37 10.836 -2.216 -2.646 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.750 -2.694 -3.322 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.410 -1.198 -3.473 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.615 -2.035 -4.520 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.620 -1.111 -4.636 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.513 -0.350 -3.343 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.900 -0.211 -5.660 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.790 0.543 -4.361 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.986 0.607 -5.507 1.00 0.00 C ATOM 0 H TRP A 37 11.465 -5.181 -1.434 1.00 0.00 H new ATOM 0 HA TRP A 37 13.272 -3.021 -2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.570 -3.293 -0.837 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.467 -1.797 -0.664 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.094 -3.475 -2.967 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.885 -2.206 -5.211 1.00 0.00 H new ATOM 0 HE3 TRP A 37 13.138 -0.392 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 10.282 -0.160 -6.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.640 1.203 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 37 12.228 1.316 -6.285 1.00 0.00 H new ATOM 558 N HIS A 38 13.975 -4.445 0.391 1.00 0.00 N ATOM 559 CA HIS A 38 14.719 -4.470 1.646 1.00 0.00 C ATOM 560 C HIS A 38 15.979 -3.616 1.548 1.00 0.00 C ATOM 561 O HIS A 38 16.700 -3.643 0.550 1.00 0.00 O ATOM 562 CB HIS A 38 15.089 -5.907 2.014 1.00 0.00 C ATOM 563 CG HIS A 38 15.343 -6.104 3.477 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.485 -5.660 4.109 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.593 -6.699 4.434 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.428 -5.975 5.391 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.289 -6.606 5.614 1.00 0.00 N ATOM 0 H HIS A 38 13.950 -5.337 -0.102 1.00 0.00 H new ATOM 0 HA HIS A 38 14.081 -4.055 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.285 -6.572 1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.979 -6.198 1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.627 -7.161 4.295 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.184 -5.754 6.130 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.977 -6.966 6.516 1.00 0.00 H new ATOM 575 N PRO A 39 16.252 -2.839 2.607 1.00 0.00 N ATOM 576 CA PRO A 39 17.426 -1.963 2.664 1.00 0.00 C ATOM 577 C PRO A 39 18.729 -2.746 2.779 1.00 0.00 C ATOM 578 O PRO A 39 19.713 -2.433 2.108 1.00 0.00 O ATOM 579 CB PRO A 39 17.187 -1.133 3.928 1.00 0.00 C ATOM 580 CG PRO A 39 16.308 -1.983 4.779 1.00 0.00 C ATOM 581 CD PRO A 39 15.436 -2.757 3.830 1.00 0.00 C ATOM 0 HA PRO A 39 17.533 -1.366 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.125 -0.903 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.710 -0.182 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.899 -2.655 5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.706 -1.372 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.196 -3.746 4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.489 -2.248 3.648 1.00 0.00 H new ATOM 589 N ASP A 40 18.729 -3.764 3.632 1.00 0.00 N ATOM 590 CA ASP A 40 19.911 -4.593 3.834 1.00 0.00 C ATOM 591 C ASP A 40 20.323 -5.277 2.534 1.00 0.00 C ATOM 592 O ASP A 40 21.511 -5.452 2.261 1.00 0.00 O ATOM 593 CB ASP A 40 19.647 -5.642 4.915 1.00 0.00 C ATOM 594 CG ASP A 40 20.926 -6.172 5.532 1.00 0.00 C ATOM 595 OD1 ASP A 40 21.885 -5.386 5.675 1.00 0.00 O ATOM 596 OD2 ASP A 40 20.968 -7.373 5.872 1.00 0.00 O ATOM 0 H ASP A 40 17.923 -4.035 4.195 1.00 0.00 H new ATOM 0 HA ASP A 40 20.726 -3.946 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 40 19.024 -5.206 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.085 -6.470 4.484 1.00 0.00 H new ATOM 601 N LYS A 41 19.334 -5.663 1.735 1.00 0.00 N ATOM 602 CA LYS A 41 19.592 -6.327 0.463 1.00 0.00 C ATOM 603 C LYS A 41 20.103 -5.335 -0.576 1.00 0.00 C ATOM 604 O LYS A 41 20.734 -5.721 -1.559 1.00 0.00 O ATOM 605 CB LYS A 41 18.320 -7.007 -0.048 1.00 0.00 C ATOM 606 CG LYS A 41 17.990 -8.302 0.675 1.00 0.00 C ATOM 607 CD LYS A 41 18.771 -9.474 0.104 1.00 0.00 C ATOM 608 CE LYS A 41 18.670 -10.700 0.999 1.00 0.00 C ATOM 609 NZ LYS A 41 19.360 -10.494 2.302 1.00 0.00 N ATOM 0 H LYS A 41 18.345 -5.527 1.946 1.00 0.00 H new ATOM 0 HA LYS A 41 20.361 -7.083 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.482 -6.318 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.431 -7.213 -1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.216 -8.195 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.922 -8.502 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.393 -9.715 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.818 -9.193 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.620 -10.934 1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.106 -11.559 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.538 -11.415 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.265 -10.006 2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.760 -9.916 2.925 1.00 0.00 H new ATOM 623 N ASN A 42 19.827 -4.054 -0.351 1.00 0.00 N ATOM 624 CA ASN A 42 20.260 -3.006 -1.268 1.00 0.00 C ATOM 625 C ASN A 42 21.362 -2.157 -0.642 1.00 0.00 C ATOM 626 O ASN A 42 21.112 -1.286 0.192 1.00 0.00 O ATOM 627 CB ASN A 42 19.076 -2.119 -1.656 1.00 0.00 C ATOM 628 CG ASN A 42 18.076 -2.842 -2.538 1.00 0.00 C ATOM 629 OD1 ASN A 42 18.363 -3.152 -3.695 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.896 -3.114 -1.994 1.00 0.00 N ATOM 0 H ASN A 42 19.306 -3.717 0.458 1.00 0.00 H new ATOM 0 HA ASN A 42 20.658 -3.483 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.575 -1.771 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.443 -1.235 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 42 16.183 -3.599 -2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.702 -2.838 -1.031 1.00 0.00 H new ATOM 637 N PRO A 43 22.613 -2.414 -1.053 1.00 0.00 N ATOM 638 CA PRO A 43 23.778 -1.683 -0.546 1.00 0.00 C ATOM 639 C PRO A 43 23.812 -0.238 -1.031 1.00 0.00 C ATOM 640 O PRO A 43 23.955 0.690 -0.234 1.00 0.00 O ATOM 641 CB PRO A 43 24.963 -2.466 -1.118 1.00 0.00 C ATOM 642 CG PRO A 43 24.426 -3.128 -2.340 1.00 0.00 C ATOM 643 CD PRO A 43 22.985 -3.437 -2.044 1.00 0.00 C ATOM 0 HA PRO A 43 23.776 -1.618 0.542 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.795 -1.804 -1.359 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.336 -3.199 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.515 -2.475 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.982 -4.038 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.368 -3.372 -2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.864 -4.445 -1.646 1.00 0.00 H new ATOM 651 N ASP A 44 23.679 -0.054 -2.340 1.00 0.00 N ATOM 652 CA ASP A 44 23.692 1.279 -2.930 1.00 0.00 C ATOM 653 C ASP A 44 22.859 2.250 -2.099 1.00 0.00 C ATOM 654 O ASP A 44 23.374 3.238 -1.579 1.00 0.00 O ATOM 655 CB ASP A 44 23.162 1.231 -4.364 1.00 0.00 C ATOM 656 CG ASP A 44 23.642 2.402 -5.198 1.00 0.00 C ATOM 657 OD1 ASP A 44 24.712 2.281 -5.831 1.00 0.00 O ATOM 658 OD2 ASP A 44 22.948 3.440 -5.218 1.00 0.00 O ATOM 0 H ASP A 44 23.561 -0.812 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 44 24.723 1.633 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 44 23.478 0.300 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.072 1.224 -4.345 1.00 0.00 H new ATOM 663 N ASN A 45 21.567 1.960 -1.980 1.00 0.00 N ATOM 664 CA ASN A 45 20.661 2.809 -1.213 1.00 0.00 C ATOM 665 C ASN A 45 19.924 1.998 -0.152 1.00 0.00 C ATOM 666 O ASN A 45 19.144 1.099 -0.471 1.00 0.00 O ATOM 667 CB ASN A 45 19.654 3.487 -2.144 1.00 0.00 C ATOM 668 CG ASN A 45 19.190 2.571 -3.260 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.962 2.224 -4.155 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.924 2.174 -3.212 1.00 0.00 N ATOM 0 H ASN A 45 21.124 1.145 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 45 21.255 3.574 -0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.791 3.815 -1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 45 20.106 4.380 -2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.555 1.557 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.320 2.486 -2.452 1.00 0.00 H new ATOM 677 N LYS A 46 20.175 2.321 1.112 1.00 0.00 N ATOM 678 CA LYS A 46 19.534 1.625 2.222 1.00 0.00 C ATOM 679 C LYS A 46 18.267 2.351 2.660 1.00 0.00 C ATOM 680 O LYS A 46 17.201 1.746 2.770 1.00 0.00 O ATOM 681 CB LYS A 46 20.501 1.507 3.402 1.00 0.00 C ATOM 682 CG LYS A 46 21.379 0.268 3.348 1.00 0.00 C ATOM 683 CD LYS A 46 22.612 0.497 2.490 1.00 0.00 C ATOM 684 CE LYS A 46 23.709 1.206 3.269 1.00 0.00 C ATOM 685 NZ LYS A 46 24.503 0.257 4.098 1.00 0.00 N ATOM 0 H LYS A 46 20.818 3.061 1.394 1.00 0.00 H new ATOM 0 HA LYS A 46 19.260 0.626 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.137 2.392 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.929 1.497 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.683 -0.008 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.806 -0.568 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.984 -0.460 2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 46 22.343 1.090 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.371 1.723 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.265 1.966 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.240 0.779 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.876 -0.218 4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.948 -0.453 3.482 1.00 0.00 H new ATOM 699 N GLU A 47 18.390 3.651 2.908 1.00 0.00 N ATOM 700 CA GLU A 47 17.253 4.459 3.334 1.00 0.00 C ATOM 701 C GLU A 47 16.107 4.355 2.331 1.00 0.00 C ATOM 702 O GLU A 47 14.991 3.975 2.686 1.00 0.00 O ATOM 703 CB GLU A 47 17.670 5.921 3.498 1.00 0.00 C ATOM 704 CG GLU A 47 16.809 6.693 4.484 1.00 0.00 C ATOM 705 CD GLU A 47 16.923 6.161 5.899 1.00 0.00 C ATOM 706 OE1 GLU A 47 17.958 5.538 6.217 1.00 0.00 O ATOM 707 OE2 GLU A 47 15.979 6.368 6.689 1.00 0.00 O ATOM 0 H GLU A 47 19.265 4.167 2.821 1.00 0.00 H new ATOM 0 HA GLU A 47 16.909 4.078 4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.708 5.959 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.626 6.414 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.100 7.743 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.768 6.647 4.165 1.00 0.00 H new ATOM 714 N GLU A 48 16.391 4.697 1.079 1.00 0.00 N ATOM 715 CA GLU A 48 15.384 4.644 0.025 1.00 0.00 C ATOM 716 C GLU A 48 14.557 3.366 0.128 1.00 0.00 C ATOM 717 O GLU A 48 13.327 3.405 0.093 1.00 0.00 O ATOM 718 CB GLU A 48 16.048 4.725 -1.351 1.00 0.00 C ATOM 719 CG GLU A 48 15.081 4.533 -2.506 1.00 0.00 C ATOM 720 CD GLU A 48 15.674 4.946 -3.839 1.00 0.00 C ATOM 721 OE1 GLU A 48 16.411 5.954 -3.873 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.400 4.264 -4.848 1.00 0.00 O ATOM 0 H GLU A 48 17.310 5.014 0.769 1.00 0.00 H new ATOM 0 HA GLU A 48 14.719 5.499 0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.535 5.695 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.830 3.968 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.782 3.486 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.178 5.114 -2.319 1.00 0.00 H new ATOM 729 N ALA A 49 15.241 2.233 0.253 1.00 0.00 N ATOM 730 CA ALA A 49 14.570 0.944 0.362 1.00 0.00 C ATOM 731 C ALA A 49 13.707 0.878 1.618 1.00 0.00 C ATOM 732 O ALA A 49 12.536 0.507 1.557 1.00 0.00 O ATOM 733 CB ALA A 49 15.592 -0.184 0.362 1.00 0.00 C ATOM 0 H ALA A 49 16.259 2.182 0.281 1.00 0.00 H new ATOM 0 HA ALA A 49 13.916 0.828 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.077 -1.141 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.163 -0.157 -0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.268 -0.062 1.208 1.00 0.00 H new ATOM 739 N GLU A 50 14.295 1.240 2.754 1.00 0.00 N ATOM 740 CA GLU A 50 13.579 1.220 4.024 1.00 0.00 C ATOM 741 C GLU A 50 12.154 1.739 3.853 1.00 0.00 C ATOM 742 O GLU A 50 11.186 1.032 4.132 1.00 0.00 O ATOM 743 CB GLU A 50 14.319 2.061 5.066 1.00 0.00 C ATOM 744 CG GLU A 50 15.303 1.263 5.905 1.00 0.00 C ATOM 745 CD GLU A 50 16.042 2.123 6.912 1.00 0.00 C ATOM 746 OE1 GLU A 50 15.382 2.687 7.809 1.00 0.00 O ATOM 747 OE2 GLU A 50 17.281 2.231 6.802 1.00 0.00 O ATOM 0 H GLU A 50 15.264 1.550 2.821 1.00 0.00 H new ATOM 0 HA GLU A 50 13.532 0.187 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.854 2.864 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.590 2.531 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 50 14.768 0.472 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 50 16.025 0.778 5.248 1.00 0.00 H new ATOM 754 N LYS A 51 12.035 2.980 3.394 1.00 0.00 N ATOM 755 CA LYS A 51 10.730 3.597 3.185 1.00 0.00 C ATOM 756 C LYS A 51 9.771 2.624 2.505 1.00 0.00 C ATOM 757 O LYS A 51 8.679 2.360 3.007 1.00 0.00 O ATOM 758 CB LYS A 51 10.872 4.864 2.339 1.00 0.00 C ATOM 759 CG LYS A 51 9.545 5.427 1.860 1.00 0.00 C ATOM 760 CD LYS A 51 8.695 5.917 3.021 1.00 0.00 C ATOM 761 CE LYS A 51 9.029 7.355 3.388 1.00 0.00 C ATOM 762 NZ LYS A 51 8.623 7.680 4.783 1.00 0.00 N ATOM 0 H LYS A 51 12.827 3.579 3.159 1.00 0.00 H new ATOM 0 HA LYS A 51 10.321 3.862 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.390 5.625 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.498 4.645 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.726 6.250 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.001 4.660 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.640 5.843 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.853 5.273 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.100 7.519 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.527 8.032 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.868 8.668 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.597 7.548 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.121 7.051 5.445 1.00 0.00 H new ATOM 776 N LYS A 52 10.188 2.092 1.361 1.00 0.00 N ATOM 777 CA LYS A 52 9.368 1.146 0.613 1.00 0.00 C ATOM 778 C LYS A 52 8.938 -0.019 1.498 1.00 0.00 C ATOM 779 O LYS A 52 7.805 -0.493 1.410 1.00 0.00 O ATOM 780 CB LYS A 52 10.138 0.621 -0.601 1.00 0.00 C ATOM 781 CG LYS A 52 10.496 1.701 -1.608 1.00 0.00 C ATOM 782 CD LYS A 52 9.365 1.940 -2.594 1.00 0.00 C ATOM 783 CE LYS A 52 9.785 2.892 -3.704 1.00 0.00 C ATOM 784 NZ LYS A 52 9.932 4.289 -3.210 1.00 0.00 N ATOM 0 H LYS A 52 11.089 2.300 0.931 1.00 0.00 H new ATOM 0 HA LYS A 52 8.475 1.669 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.053 0.137 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.540 -0.143 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.724 2.628 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.397 1.411 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.052 0.990 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.503 2.350 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.730 2.557 -4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.045 2.866 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.219 4.907 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.024 4.618 -2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.656 4.319 -2.464 1.00 0.00 H new ATOM 798 N PHE A 53 9.849 -0.476 2.351 1.00 0.00 N ATOM 799 CA PHE A 53 9.563 -1.586 3.253 1.00 0.00 C ATOM 800 C PHE A 53 8.346 -1.281 4.122 1.00 0.00 C ATOM 801 O PHE A 53 7.478 -2.132 4.315 1.00 0.00 O ATOM 802 CB PHE A 53 10.776 -1.877 4.138 1.00 0.00 C ATOM 803 CG PHE A 53 10.681 -3.182 4.876 1.00 0.00 C ATOM 804 CD1 PHE A 53 9.881 -3.300 6.001 1.00 0.00 C ATOM 805 CD2 PHE A 53 11.392 -4.291 4.444 1.00 0.00 C ATOM 806 CE1 PHE A 53 9.790 -4.500 6.682 1.00 0.00 C ATOM 807 CE2 PHE A 53 11.305 -5.493 5.121 1.00 0.00 C ATOM 808 CZ PHE A 53 10.504 -5.597 6.242 1.00 0.00 C ATOM 0 H PHE A 53 10.791 -0.095 2.437 1.00 0.00 H new ATOM 0 HA PHE A 53 9.344 -2.466 2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.674 -1.883 3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.891 -1.068 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.322 -2.445 6.350 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.021 -4.215 3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.161 -4.579 7.557 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.863 -6.350 4.774 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.436 -6.535 6.773 1.00 0.00 H new ATOM 818 N LYS A 54 8.291 -0.061 4.645 1.00 0.00 N ATOM 819 CA LYS A 54 7.183 0.359 5.493 1.00 0.00 C ATOM 820 C LYS A 54 5.891 0.463 4.689 1.00 0.00 C ATOM 821 O LYS A 54 4.813 0.120 5.178 1.00 0.00 O ATOM 822 CB LYS A 54 7.497 1.706 6.149 1.00 0.00 C ATOM 823 CG LYS A 54 6.497 2.110 7.219 1.00 0.00 C ATOM 824 CD LYS A 54 6.904 1.590 8.587 1.00 0.00 C ATOM 825 CE LYS A 54 5.699 1.413 9.498 1.00 0.00 C ATOM 826 NZ LYS A 54 4.828 0.290 9.053 1.00 0.00 N ATOM 0 H LYS A 54 9.002 0.655 4.496 1.00 0.00 H new ATOM 0 HA LYS A 54 7.048 -0.394 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.492 1.662 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.525 2.478 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.416 3.197 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.511 1.724 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.420 0.637 8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.609 2.283 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.038 1.228 10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.120 2.336 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.255 -0.043 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.201 0.618 8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.420 -0.490 8.702 1.00 0.00 H new ATOM 840 N LEU A 55 6.005 0.935 3.453 1.00 0.00 N ATOM 841 CA LEU A 55 4.846 1.082 2.579 1.00 0.00 C ATOM 842 C LEU A 55 4.243 -0.278 2.242 1.00 0.00 C ATOM 843 O LEU A 55 3.049 -0.506 2.441 1.00 0.00 O ATOM 844 CB LEU A 55 5.241 1.810 1.293 1.00 0.00 C ATOM 845 CG LEU A 55 5.441 3.321 1.413 1.00 0.00 C ATOM 846 CD1 LEU A 55 6.363 3.826 0.313 1.00 0.00 C ATOM 847 CD2 LEU A 55 4.102 4.043 1.362 1.00 0.00 C ATOM 0 H LEU A 55 6.889 1.223 3.033 1.00 0.00 H new ATOM 0 HA LEU A 55 4.096 1.671 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.165 1.370 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.473 1.624 0.543 1.00 0.00 H new ATOM 0 HG LEU A 55 5.907 3.531 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.494 4.903 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.332 3.333 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.925 3.604 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.264 5.117 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.608 3.826 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.474 3.703 2.185 1.00 0.00 H new ATOM 859 N VAL A 56 5.076 -1.180 1.733 1.00 0.00 N ATOM 860 CA VAL A 56 4.626 -2.519 1.371 1.00 0.00 C ATOM 861 C VAL A 56 3.918 -3.195 2.540 1.00 0.00 C ATOM 862 O VAL A 56 3.007 -4.000 2.346 1.00 0.00 O ATOM 863 CB VAL A 56 5.803 -3.403 0.917 1.00 0.00 C ATOM 864 CG1 VAL A 56 6.802 -3.584 2.049 1.00 0.00 C ATOM 865 CG2 VAL A 56 5.296 -4.749 0.421 1.00 0.00 C ATOM 0 H VAL A 56 6.067 -1.008 1.562 1.00 0.00 H new ATOM 0 HA VAL A 56 3.927 -2.405 0.543 1.00 0.00 H new ATOM 0 HB VAL A 56 6.313 -2.906 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.626 -4.211 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.188 -2.611 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.309 -4.060 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.140 -5.361 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.762 -5.255 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.622 -4.596 -0.422 1.00 0.00 H new ATOM 875 N SER A 57 4.343 -2.862 3.755 1.00 0.00 N ATOM 876 CA SER A 57 3.752 -3.439 4.956 1.00 0.00 C ATOM 877 C SER A 57 2.460 -2.717 5.327 1.00 0.00 C ATOM 878 O SER A 57 1.461 -3.348 5.672 1.00 0.00 O ATOM 879 CB SER A 57 4.741 -3.369 6.121 1.00 0.00 C ATOM 880 OG SER A 57 4.686 -2.107 6.762 1.00 0.00 O ATOM 0 H SER A 57 5.094 -2.196 3.933 1.00 0.00 H new ATOM 0 HA SER A 57 3.518 -4.483 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.516 -4.156 6.841 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.752 -3.551 5.755 1.00 0.00 H new ATOM 0 HG SER A 57 4.885 -1.401 6.112 1.00 0.00 H new ATOM 886 N GLU A 58 2.489 -1.390 5.253 1.00 0.00 N ATOM 887 CA GLU A 58 1.321 -0.581 5.582 1.00 0.00 C ATOM 888 C GLU A 58 0.132 -0.961 4.705 1.00 0.00 C ATOM 889 O GLU A 58 -0.926 -1.341 5.205 1.00 0.00 O ATOM 890 CB GLU A 58 1.639 0.906 5.414 1.00 0.00 C ATOM 891 CG GLU A 58 0.562 1.825 5.966 1.00 0.00 C ATOM 892 CD GLU A 58 0.762 2.142 7.435 1.00 0.00 C ATOM 893 OE1 GLU A 58 1.764 2.809 7.767 1.00 0.00 O ATOM 894 OE2 GLU A 58 -0.084 1.723 8.253 1.00 0.00 O ATOM 0 H GLU A 58 3.308 -0.853 4.968 1.00 0.00 H new ATOM 0 HA GLU A 58 1.059 -0.773 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.583 1.126 5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.781 1.121 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.555 2.754 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.414 1.359 5.828 1.00 0.00 H new ATOM 901 N ALA A 59 0.314 -0.854 3.393 1.00 0.00 N ATOM 902 CA ALA A 59 -0.742 -1.187 2.445 1.00 0.00 C ATOM 903 C ALA A 59 -1.207 -2.628 2.625 1.00 0.00 C ATOM 904 O ALA A 59 -2.406 -2.907 2.636 1.00 0.00 O ATOM 905 CB ALA A 59 -0.262 -0.960 1.019 1.00 0.00 C ATOM 0 H ALA A 59 1.183 -0.539 2.962 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.591 -0.532 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.061 -1.213 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.014 0.086 0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.605 -1.591 0.822 1.00 0.00 H new ATOM 911 N TYR A 60 -0.251 -3.540 2.766 1.00 0.00 N ATOM 912 CA TYR A 60 -0.563 -4.953 2.942 1.00 0.00 C ATOM 913 C TYR A 60 -1.724 -5.137 3.915 1.00 0.00 C ATOM 914 O TYR A 60 -2.612 -5.959 3.690 1.00 0.00 O ATOM 915 CB TYR A 60 0.666 -5.709 3.449 1.00 0.00 C ATOM 916 CG TYR A 60 0.332 -7.001 4.160 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.514 -7.938 3.578 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.861 -7.285 5.413 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.822 -9.119 4.224 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.559 -8.464 6.065 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.283 -9.378 5.467 1.00 0.00 C ATOM 922 OH TYR A 60 -0.588 -10.554 6.114 1.00 0.00 O ATOM 0 H TYR A 60 0.746 -3.326 2.762 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.856 -5.358 1.973 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.321 -5.927 2.606 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.224 -5.064 4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.937 -7.739 2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.520 -6.571 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.482 -9.836 3.758 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.980 -8.669 7.038 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.126 -10.581 6.978 1.00 0.00 H new ATOM 932 N GLU A 61 -1.709 -4.365 4.997 1.00 0.00 N ATOM 933 CA GLU A 61 -2.760 -4.442 6.005 1.00 0.00 C ATOM 934 C GLU A 61 -4.006 -3.687 5.551 1.00 0.00 C ATOM 935 O GLU A 61 -5.124 -4.192 5.653 1.00 0.00 O ATOM 936 CB GLU A 61 -2.263 -3.876 7.337 1.00 0.00 C ATOM 937 CG GLU A 61 -1.117 -4.667 7.944 1.00 0.00 C ATOM 938 CD GLU A 61 -1.540 -6.047 8.406 1.00 0.00 C ATOM 939 OE1 GLU A 61 -1.651 -6.950 7.551 1.00 0.00 O ATOM 940 OE2 GLU A 61 -1.762 -6.225 9.622 1.00 0.00 O ATOM 0 H GLU A 61 -0.981 -3.679 5.198 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.022 -5.491 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.943 -2.845 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.092 -3.853 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.318 -4.763 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.707 -4.115 8.790 1.00 0.00 H new ATOM 947 N VAL A 62 -3.804 -2.472 5.051 1.00 0.00 N ATOM 948 CA VAL A 62 -4.910 -1.645 4.581 1.00 0.00 C ATOM 949 C VAL A 62 -5.857 -2.447 3.695 1.00 0.00 C ATOM 950 O VAL A 62 -7.077 -2.299 3.779 1.00 0.00 O ATOM 951 CB VAL A 62 -4.402 -0.422 3.796 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.569 0.365 3.219 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.540 0.461 4.685 1.00 0.00 C ATOM 0 H VAL A 62 -2.885 -2.038 4.961 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.447 -1.302 5.465 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.787 -0.774 2.967 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.190 1.226 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.141 -0.274 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.213 0.708 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.190 1.321 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.128 0.806 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.684 -0.110 5.044 1.00 0.00 H new ATOM 963 N LEU A 63 -5.288 -3.296 2.846 1.00 0.00 N ATOM 964 CA LEU A 63 -6.082 -4.122 1.943 1.00 0.00 C ATOM 965 C LEU A 63 -6.466 -5.440 2.608 1.00 0.00 C ATOM 966 O LEU A 63 -7.621 -5.863 2.549 1.00 0.00 O ATOM 967 CB LEU A 63 -5.304 -4.396 0.655 1.00 0.00 C ATOM 968 CG LEU A 63 -4.750 -3.168 -0.068 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.606 -3.563 -0.990 1.00 0.00 C ATOM 970 CD2 LEU A 63 -5.851 -2.469 -0.852 1.00 0.00 C ATOM 0 H LEU A 63 -4.280 -3.430 2.764 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.995 -3.578 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.472 -5.060 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.957 -4.934 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.365 -2.473 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.224 -2.676 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.808 -4.019 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.966 -4.277 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.439 -1.597 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.265 -3.157 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.639 -2.152 -0.169 1.00 0.00 H new ATOM 982 N SER A 64 -5.492 -6.083 3.243 1.00 0.00 N ATOM 983 CA SER A 64 -5.728 -7.354 3.918 1.00 0.00 C ATOM 984 C SER A 64 -7.040 -7.320 4.696 1.00 0.00 C ATOM 985 O SER A 64 -7.825 -8.268 4.651 1.00 0.00 O ATOM 986 CB SER A 64 -4.570 -7.676 4.865 1.00 0.00 C ATOM 987 OG SER A 64 -4.814 -8.874 5.581 1.00 0.00 O ATOM 0 H SER A 64 -4.532 -5.745 3.304 1.00 0.00 H new ATOM 0 HA SER A 64 -5.795 -8.133 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.646 -7.771 4.295 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.429 -6.853 5.565 1.00 0.00 H new ATOM 0 HG SER A 64 -4.059 -9.058 6.178 1.00 0.00 H new ATOM 993 N ASP A 65 -7.271 -6.223 5.407 1.00 0.00 N ATOM 994 CA ASP A 65 -8.488 -6.064 6.194 1.00 0.00 C ATOM 995 C ASP A 65 -9.681 -5.758 5.294 1.00 0.00 C ATOM 996 O ASP A 65 -9.519 -5.268 4.177 1.00 0.00 O ATOM 997 CB ASP A 65 -8.313 -4.947 7.225 1.00 0.00 C ATOM 998 CG ASP A 65 -9.146 -5.173 8.471 1.00 0.00 C ATOM 999 OD1 ASP A 65 -10.335 -5.527 8.332 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -8.609 -4.995 9.585 1.00 0.00 O ATOM 0 H ASP A 65 -6.631 -5.430 5.455 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.679 -7.002 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.261 -4.875 7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.590 -3.994 6.774 1.00 0.00 H new ATOM 1005 N SER A 66 -10.880 -6.053 5.788 1.00 0.00 N ATOM 1006 CA SER A 66 -12.100 -5.815 5.026 1.00 0.00 C ATOM 1007 C SER A 66 -12.560 -4.368 5.175 1.00 0.00 C ATOM 1008 O SER A 66 -12.982 -3.735 4.207 1.00 0.00 O ATOM 1009 CB SER A 66 -13.208 -6.765 5.487 1.00 0.00 C ATOM 1010 OG SER A 66 -13.394 -6.688 6.890 1.00 0.00 O ATOM 0 H SER A 66 -11.032 -6.457 6.712 1.00 0.00 H new ATOM 0 HA SER A 66 -11.885 -6.003 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.140 -6.516 4.979 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.955 -7.787 5.206 1.00 0.00 H new ATOM 0 HG SER A 66 -14.108 -7.303 7.160 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.475 -3.850 6.396 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.881 -2.478 6.675 1.00 0.00 C ATOM 1018 C LYS A 67 -11.924 -1.485 6.024 1.00 0.00 C ATOM 1019 O LYS A 67 -12.349 -0.544 5.354 1.00 0.00 O ATOM 1020 CB LYS A 67 -12.933 -2.237 8.185 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.614 -2.502 8.890 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.752 -2.377 10.398 1.00 0.00 C ATOM 1023 CE LYS A 67 -11.759 -0.921 10.838 1.00 0.00 C ATOM 1024 NZ LYS A 67 -12.486 -0.734 12.124 1.00 0.00 N ATOM 0 H LYS A 67 -12.128 -4.360 7.208 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.875 -2.327 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.233 -1.205 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.702 -2.875 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.260 -3.502 8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.862 -1.798 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.674 -2.860 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.929 -2.901 10.884 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.733 -0.569 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.225 -0.310 10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.468 0.271 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.472 -1.046 12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.026 -1.297 12.868 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.628 -1.700 6.225 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.609 -0.826 5.656 1.00 0.00 C ATOM 1040 C LYS A 68 -9.659 -0.853 4.132 1.00 0.00 C ATOM 1041 O LYS A 68 -9.596 0.190 3.481 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.219 -1.246 6.139 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.014 -1.065 7.633 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.540 -0.957 7.985 1.00 0.00 C ATOM 1045 CE LYS A 68 -5.982 0.413 7.629 1.00 0.00 C ATOM 1046 NZ LYS A 68 -4.751 0.729 8.406 1.00 0.00 N ATOM 0 H LYS A 68 -10.258 -2.473 6.778 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.811 0.191 5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.055 -2.293 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.467 -0.665 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.535 -0.168 7.966 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.456 -1.907 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.405 -1.141 9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.981 -1.728 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.758 0.448 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.738 1.174 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.401 1.670 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.970 0.721 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.020 0.017 8.204 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.773 -2.052 3.569 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.831 -2.214 2.122 1.00 0.00 C ATOM 1062 C ARG A 69 -11.069 -1.531 1.548 1.00 0.00 C ATOM 1063 O ARG A 69 -10.974 -0.727 0.620 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.837 -3.698 1.753 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.711 -3.956 0.260 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.522 -5.435 -0.036 1.00 0.00 C ATOM 1067 NE ARG A 69 -8.764 -5.655 -1.264 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.582 -6.852 -1.811 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -9.101 -7.931 -1.242 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -7.879 -6.971 -2.931 1.00 0.00 N ATOM 0 H ARG A 69 -9.827 -2.925 4.094 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.946 -1.744 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.016 -4.195 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.761 -4.150 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.604 -3.593 -0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.866 -3.393 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.005 -5.908 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.497 -5.915 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.351 -4.845 -1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.642 -7.844 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.959 -8.849 -1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.478 -6.143 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.740 -7.890 -3.350 1.00 0.00 H new ATOM 1084 N SER A 70 -12.231 -1.858 2.105 1.00 0.00 N ATOM 1085 CA SER A 70 -13.489 -1.280 1.646 1.00 0.00 C ATOM 1086 C SER A 70 -13.478 0.237 1.801 1.00 0.00 C ATOM 1087 O SER A 70 -13.853 0.970 0.884 1.00 0.00 O ATOM 1088 CB SER A 70 -14.663 -1.875 2.426 1.00 0.00 C ATOM 1089 OG SER A 70 -15.152 -3.047 1.796 1.00 0.00 O ATOM 0 H SER A 70 -12.327 -2.520 2.875 1.00 0.00 H new ATOM 0 HA SER A 70 -13.606 -1.519 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.347 -2.110 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.463 -1.139 2.503 1.00 0.00 H new ATOM 0 HG SER A 70 -15.901 -3.409 2.315 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.045 0.703 2.967 1.00 0.00 N ATOM 1096 CA LEU A 71 -12.984 2.134 3.244 1.00 0.00 C ATOM 1097 C LEU A 71 -12.114 2.852 2.217 1.00 0.00 C ATOM 1098 O LEU A 71 -12.480 3.913 1.711 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.438 2.379 4.652 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.446 2.254 5.794 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.756 1.790 7.067 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.158 3.579 6.024 1.00 0.00 C ATOM 0 H LEU A 71 -12.731 0.111 3.736 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.996 2.534 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.626 1.675 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.006 3.379 4.683 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.190 1.508 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.490 1.707 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.293 0.818 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.990 2.512 7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.872 3.471 6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.427 4.345 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.686 3.871 5.116 1.00 0.00 H new