USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 83 TYR OH : rot 90:sc= -1.96! USER MOD Set 1.2: A 117 ASN : amide:sc= -1.25 X(o=-2.5,f=-2.5) USER MOD Set 1.3: A 118 THR OG1 : rot 25:sc= 0.739 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -144:sc= -0.14 (180deg=-2.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.62! C(o=-1.6!,f=-7.8!) USER MOD Single : A 85 THR OG1 : rot -94:sc= 1.27 USER MOD Single : A 86 SER OG : rot -31:sc= 0.35 USER MOD Single : A 92 THR OG1 : rot 80:sc= 0.342 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.2) USER MOD Single : A 98 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.38) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.13) USER MOD Single : A 100 ASN : amide:sc= 0.445 X(o=0.45,f=0.77) USER MOD Single : A 103 ASN : amide:sc= -0.349 K(o=-0.35,f=-6.1!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 112 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 115 N VAL A 57 -6.773 7.937 -0.261 1.00 0.00 N ATOM 116 CA VAL A 57 -5.629 8.329 0.541 1.00 0.00 C ATOM 117 C VAL A 57 -4.728 9.275 -0.233 1.00 0.00 C ATOM 118 O VAL A 57 -4.221 8.926 -1.302 1.00 0.00 O ATOM 119 CB VAL A 57 -4.804 7.108 0.983 1.00 0.00 C ATOM 120 CG1 VAL A 57 -3.798 7.500 2.047 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.708 5.989 1.469 1.00 0.00 C ATOM 0 HA VAL A 57 -6.019 8.832 1.426 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.253 6.737 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.225 6.623 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.122 8.256 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.323 7.903 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.100 5.138 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.296 6.339 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.377 5.686 0.664 1.00 0.00 H new ATOM 131 N LEU A 58 -4.533 10.465 0.311 1.00 0.00 N ATOM 132 CA LEU A 58 -3.678 11.460 -0.310 1.00 0.00 C ATOM 133 C LEU A 58 -2.256 11.337 0.218 1.00 0.00 C ATOM 134 O LEU A 58 -1.992 11.593 1.394 1.00 0.00 O ATOM 135 CB LEU A 58 -4.215 12.864 -0.031 1.00 0.00 C ATOM 136 CG LEU A 58 -3.444 14.008 -0.686 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.834 14.123 -2.144 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.706 15.316 0.043 1.00 0.00 C ATOM 0 H LEU A 58 -4.959 10.766 1.188 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.671 11.289 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.251 12.910 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.220 13.024 1.047 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.377 13.794 -0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.280 14.941 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.600 13.191 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.903 14.320 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.148 16.119 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.771 15.544 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.387 15.224 1.081 1.00 0.00 H new ATOM 150 N TYR A 59 -1.347 10.930 -0.653 1.00 0.00 N ATOM 151 CA TYR A 59 0.056 10.834 -0.310 1.00 0.00 C ATOM 152 C TYR A 59 0.857 11.760 -1.228 1.00 0.00 C ATOM 153 O TYR A 59 0.751 11.685 -2.455 1.00 0.00 O ATOM 154 CB TYR A 59 0.549 9.371 -0.417 1.00 0.00 C ATOM 155 CG TYR A 59 1.189 9.014 -1.747 1.00 0.00 C ATOM 156 CD1 TYR A 59 0.424 8.849 -2.895 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.567 8.876 -1.850 1.00 0.00 C ATOM 158 CE1 TYR A 59 1.017 8.556 -4.112 1.00 0.00 C ATOM 159 CE2 TYR A 59 3.167 8.577 -3.057 1.00 0.00 C ATOM 160 CZ TYR A 59 2.391 8.422 -4.185 1.00 0.00 C ATOM 161 OH TYR A 59 2.988 8.135 -5.388 1.00 0.00 O ATOM 0 H TYR A 59 -1.563 10.659 -1.612 1.00 0.00 H new ATOM 0 HA TYR A 59 0.201 11.147 0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.270 9.185 0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.295 8.704 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.650 8.951 -2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.180 9.005 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.411 8.433 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.240 8.465 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 59 3.959 8.076 -5.266 1.00 0.00 H new ATOM 171 N GLU A 60 1.592 12.685 -0.625 1.00 0.00 N ATOM 172 CA GLU A 60 2.493 13.586 -1.353 1.00 0.00 C ATOM 173 C GLU A 60 1.768 14.393 -2.439 1.00 0.00 C ATOM 174 O GLU A 60 2.403 14.992 -3.312 1.00 0.00 O ATOM 175 CB GLU A 60 3.638 12.789 -1.966 1.00 0.00 C ATOM 176 CG GLU A 60 4.352 11.910 -0.957 1.00 0.00 C ATOM 177 CD GLU A 60 5.079 12.698 0.114 1.00 0.00 C ATOM 178 OE1 GLU A 60 6.261 13.048 -0.099 1.00 0.00 O ATOM 179 OE2 GLU A 60 4.480 12.953 1.183 1.00 0.00 O ATOM 0 H GLU A 60 1.584 12.837 0.384 1.00 0.00 H new ATOM 0 HA GLU A 60 2.886 14.303 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.250 12.167 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.355 13.478 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.626 11.249 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.067 11.275 -1.480 1.00 0.00 H new ATOM 186 N GLY A 61 0.442 14.397 -2.392 1.00 0.00 N ATOM 187 CA GLY A 61 -0.335 15.176 -3.338 1.00 0.00 C ATOM 188 C GLY A 61 -1.176 14.329 -4.283 1.00 0.00 C ATOM 189 O GLY A 61 -1.999 14.863 -5.021 1.00 0.00 O ATOM 0 H GLY A 61 -0.111 13.873 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.991 15.851 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.341 15.797 -3.925 1.00 0.00 H new ATOM 193 N LYS A 62 -0.970 13.017 -4.278 1.00 0.00 N ATOM 194 CA LYS A 62 -1.763 12.125 -5.124 1.00 0.00 C ATOM 195 C LYS A 62 -2.709 11.287 -4.276 1.00 0.00 C ATOM 196 O LYS A 62 -2.375 10.910 -3.161 1.00 0.00 O ATOM 197 CB LYS A 62 -0.863 11.192 -5.927 1.00 0.00 C ATOM 198 CG LYS A 62 -1.561 10.573 -7.122 1.00 0.00 C ATOM 199 CD LYS A 62 -0.605 9.759 -7.974 1.00 0.00 C ATOM 200 CE LYS A 62 0.494 10.631 -8.560 1.00 0.00 C ATOM 201 NZ LYS A 62 1.392 9.863 -9.460 1.00 0.00 N ATOM 0 H LYS A 62 -0.269 12.548 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.338 12.747 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.010 11.747 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.499 10.398 -5.275 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.374 9.934 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.009 11.360 -7.729 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.161 8.967 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.156 9.274 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.046 11.457 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.079 11.069 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.127 10.494 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.840 9.090 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.839 9.466 -10.246 1.00 0.00 H new ATOM 215 N GLU A 63 -3.875 10.982 -4.814 1.00 0.00 N ATOM 216 CA GLU A 63 -4.847 10.167 -4.097 1.00 0.00 C ATOM 217 C GLU A 63 -4.946 8.775 -4.699 1.00 0.00 C ATOM 218 O GLU A 63 -5.132 8.614 -5.910 1.00 0.00 O ATOM 219 CB GLU A 63 -6.229 10.820 -4.079 1.00 0.00 C ATOM 220 CG GLU A 63 -6.342 11.975 -3.097 1.00 0.00 C ATOM 221 CD GLU A 63 -7.746 12.536 -3.004 1.00 0.00 C ATOM 222 OE1 GLU A 63 -8.132 13.326 -3.890 1.00 0.00 O ATOM 223 OE2 GLU A 63 -8.470 12.196 -2.039 1.00 0.00 O ATOM 0 H GLU A 63 -4.175 11.283 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.493 10.084 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.465 11.181 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.975 10.066 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.025 11.638 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.658 12.769 -3.398 1.00 0.00 H new ATOM 230 N PHE A 64 -4.821 7.773 -3.845 1.00 0.00 N ATOM 231 CA PHE A 64 -4.929 6.388 -4.261 1.00 0.00 C ATOM 232 C PHE A 64 -6.029 5.689 -3.472 1.00 0.00 C ATOM 233 O PHE A 64 -6.588 6.278 -2.547 1.00 0.00 O ATOM 234 CB PHE A 64 -3.595 5.670 -4.055 1.00 0.00 C ATOM 235 CG PHE A 64 -2.990 5.148 -5.330 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.484 4.002 -5.932 1.00 0.00 C ATOM 237 CD2 PHE A 64 -1.931 5.811 -5.931 1.00 0.00 C ATOM 238 CE1 PHE A 64 -2.934 3.529 -7.107 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.377 5.339 -7.107 1.00 0.00 C ATOM 240 CZ PHE A 64 -1.880 4.197 -7.695 1.00 0.00 C ATOM 0 H PHE A 64 -4.643 7.897 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.183 6.358 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.892 6.356 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.742 4.839 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.308 3.473 -5.477 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.534 6.706 -5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.329 2.635 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.551 5.864 -7.565 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.450 3.827 -8.614 1.00 0.00 H new ATOM 250 N ASP A 65 -6.337 4.442 -3.839 1.00 0.00 N ATOM 251 CA ASP A 65 -7.378 3.668 -3.155 1.00 0.00 C ATOM 252 C ASP A 65 -7.071 3.626 -1.672 1.00 0.00 C ATOM 253 O ASP A 65 -7.800 4.184 -0.849 1.00 0.00 O ATOM 254 CB ASP A 65 -7.434 2.224 -3.681 1.00 0.00 C ATOM 255 CG ASP A 65 -8.829 1.634 -3.706 1.00 0.00 C ATOM 256 OD1 ASP A 65 -9.702 2.106 -2.949 1.00 0.00 O ATOM 257 OD2 ASP A 65 -9.051 0.689 -4.492 1.00 0.00 O ATOM 0 H ASP A 65 -5.881 3.947 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.338 4.149 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.021 2.199 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.796 1.596 -3.059 1.00 0.00 H new ATOM 262 N TYR A 66 -5.966 2.970 -1.366 1.00 0.00 N ATOM 263 CA TYR A 66 -5.466 2.833 -0.012 1.00 0.00 C ATOM 264 C TYR A 66 -3.951 2.863 -0.037 1.00 0.00 C ATOM 265 O TYR A 66 -3.340 2.076 -0.741 1.00 0.00 O ATOM 266 CB TYR A 66 -5.922 1.501 0.588 1.00 0.00 C ATOM 267 CG TYR A 66 -7.403 1.421 0.878 1.00 0.00 C ATOM 268 CD1 TYR A 66 -8.307 1.075 -0.119 1.00 0.00 C ATOM 269 CD2 TYR A 66 -7.895 1.694 2.148 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.661 1.003 0.144 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.248 1.624 2.415 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.123 1.278 1.411 1.00 0.00 C ATOM 273 OH TYR A 66 -11.472 1.214 1.674 1.00 0.00 O ATOM 0 H TYR A 66 -5.382 2.510 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.853 3.653 0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.655 0.697 -0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.373 1.326 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.946 0.859 -1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.210 1.965 2.938 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.353 0.733 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.617 1.840 3.407 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.633 1.435 2.615 1.00 0.00 H new ATOM 283 N VAL A 67 -3.329 3.773 0.689 1.00 0.00 N ATOM 284 CA VAL A 67 -1.885 3.731 0.802 1.00 0.00 C ATOM 285 C VAL A 67 -1.494 3.333 2.220 1.00 0.00 C ATOM 286 O VAL A 67 -2.156 3.698 3.195 1.00 0.00 O ATOM 287 CB VAL A 67 -1.176 5.052 0.396 1.00 0.00 C ATOM 288 CG1 VAL A 67 -1.936 5.773 -0.707 1.00 0.00 C ATOM 289 CG2 VAL A 67 -0.939 5.960 1.590 1.00 0.00 C ATOM 0 H VAL A 67 -3.786 4.531 1.196 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.542 2.983 0.087 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.197 4.781 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.413 6.693 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.999 5.130 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.941 6.013 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.441 6.872 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.894 6.214 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.311 5.447 2.318 1.00 0.00 H new ATOM 299 N PHE A 68 -0.438 2.561 2.320 1.00 0.00 N ATOM 300 CA PHE A 68 0.057 2.092 3.599 1.00 0.00 C ATOM 301 C PHE A 68 1.211 2.979 4.041 1.00 0.00 C ATOM 302 O PHE A 68 1.831 3.648 3.224 1.00 0.00 O ATOM 303 CB PHE A 68 0.499 0.630 3.465 1.00 0.00 C ATOM 304 CG PHE A 68 1.045 0.016 4.721 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.420 0.203 5.944 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.194 -0.752 4.671 1.00 0.00 C ATOM 307 CE1 PHE A 68 0.937 -0.365 7.094 1.00 0.00 C ATOM 308 CE2 PHE A 68 2.714 -1.322 5.816 1.00 0.00 C ATOM 309 CZ PHE A 68 2.084 -1.128 7.028 1.00 0.00 C ATOM 0 H PHE A 68 0.105 2.238 1.519 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.727 2.144 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.352 0.038 3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.259 0.566 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.480 0.798 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.691 -0.908 3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.443 -0.211 8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.613 -1.919 5.763 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.489 -1.573 7.925 1.00 0.00 H new ATOM 319 N SER A 69 1.485 3.013 5.326 1.00 0.00 N ATOM 320 CA SER A 69 2.588 3.799 5.830 1.00 0.00 C ATOM 321 C SER A 69 3.813 2.903 5.964 1.00 0.00 C ATOM 322 O SER A 69 3.801 1.914 6.697 1.00 0.00 O ATOM 323 CB SER A 69 2.209 4.432 7.167 1.00 0.00 C ATOM 324 OG SER A 69 3.150 5.414 7.558 1.00 0.00 O ATOM 0 H SER A 69 0.960 2.507 6.039 1.00 0.00 H new ATOM 0 HA SER A 69 2.822 4.607 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.220 4.884 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.148 3.659 7.933 1.00 0.00 H new ATOM 0 HG SER A 69 2.880 5.803 8.416 1.00 0.00 H new ATOM 330 N ILE A 70 4.858 3.250 5.234 1.00 0.00 N ATOM 331 CA ILE A 70 6.042 2.420 5.133 1.00 0.00 C ATOM 332 C ILE A 70 7.201 3.017 5.902 1.00 0.00 C ATOM 333 O ILE A 70 7.673 4.111 5.594 1.00 0.00 O ATOM 334 CB ILE A 70 6.458 2.246 3.676 1.00 0.00 C ATOM 335 CG1 ILE A 70 5.357 1.533 2.920 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.773 1.483 3.563 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.047 0.146 3.431 1.00 0.00 C ATOM 0 H ILE A 70 4.908 4.115 4.695 1.00 0.00 H new ATOM 0 HA ILE A 70 5.790 1.450 5.562 1.00 0.00 H new ATOM 0 HB ILE A 70 6.616 3.231 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.450 2.136 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.639 1.465 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.042 1.376 2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.558 2.031 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.661 0.496 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.248 -0.292 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.938 -0.477 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.731 0.204 4.473 1.00 0.00 H new ATOM 445 N TYR A 79 7.651 6.641 4.474 1.00 0.00 N ATOM 446 CA TYR A 79 7.277 6.353 3.102 1.00 0.00 C ATOM 447 C TYR A 79 5.810 5.967 3.059 1.00 0.00 C ATOM 448 O TYR A 79 5.226 5.673 4.095 1.00 0.00 O ATOM 449 CB TYR A 79 8.129 5.209 2.554 1.00 0.00 C ATOM 450 CG TYR A 79 9.599 5.530 2.449 1.00 0.00 C ATOM 451 CD1 TYR A 79 10.030 6.766 1.982 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.555 4.590 2.799 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.377 7.053 1.868 1.00 0.00 C ATOM 454 CE2 TYR A 79 11.902 4.868 2.683 1.00 0.00 C ATOM 455 CZ TYR A 79 12.308 6.099 2.217 1.00 0.00 C ATOM 456 OH TYR A 79 13.651 6.373 2.092 1.00 0.00 O ATOM 0 HA TYR A 79 7.443 7.238 2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.004 4.337 3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.757 4.934 1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.301 7.513 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.241 3.625 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.698 8.019 1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.635 4.123 2.957 1.00 0.00 H new ATOM 0 HH TYR A 79 14.172 5.595 2.381 1.00 0.00 H new ATOM 466 N LYS A 80 5.206 5.981 1.882 1.00 0.00 N ATOM 467 CA LYS A 80 3.813 5.571 1.747 1.00 0.00 C ATOM 468 C LYS A 80 3.652 4.637 0.552 1.00 0.00 C ATOM 469 O LYS A 80 4.221 4.879 -0.507 1.00 0.00 O ATOM 470 CB LYS A 80 2.888 6.784 1.592 1.00 0.00 C ATOM 471 CG LYS A 80 2.995 7.789 2.731 1.00 0.00 C ATOM 472 CD LYS A 80 2.694 7.156 4.084 1.00 0.00 C ATOM 473 CE LYS A 80 1.222 6.853 4.259 1.00 0.00 C ATOM 474 NZ LYS A 80 0.788 7.019 5.671 1.00 0.00 N ATOM 0 H LYS A 80 5.652 6.269 1.011 1.00 0.00 H new ATOM 0 HA LYS A 80 3.530 5.042 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.119 7.287 0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.857 6.436 1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.998 8.214 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.302 8.612 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.268 6.235 4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.022 7.827 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.637 7.513 3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.020 5.832 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.074 6.299 5.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.608 6.909 6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.378 7.966 5.799 1.00 0.00 H new ATOM 488 N LEU A 81 2.866 3.585 0.735 1.00 0.00 N ATOM 489 CA LEU A 81 2.679 2.555 -0.281 1.00 0.00 C ATOM 490 C LEU A 81 1.289 2.687 -0.897 1.00 0.00 C ATOM 491 O LEU A 81 0.323 2.153 -0.355 1.00 0.00 O ATOM 492 CB LEU A 81 2.819 1.166 0.361 1.00 0.00 C ATOM 493 CG LEU A 81 3.199 -0.003 -0.558 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.462 -1.247 -0.128 1.00 0.00 C ATOM 495 CD2 LEU A 81 2.901 0.290 -2.019 1.00 0.00 C ATOM 0 H LEU A 81 2.339 3.420 1.593 1.00 0.00 H new ATOM 0 HA LEU A 81 3.434 2.677 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.570 1.233 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.873 0.921 0.843 1.00 0.00 H new ATOM 0 HG LEU A 81 4.275 -0.153 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.734 -2.075 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.731 -1.493 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.388 -1.073 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.188 -0.567 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.835 0.482 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.466 1.166 -2.337 1.00 0.00 H new ATOM 507 N PRO A 82 1.163 3.411 -2.014 1.00 0.00 N ATOM 508 CA PRO A 82 -0.108 3.548 -2.724 1.00 0.00 C ATOM 509 C PRO A 82 -0.568 2.226 -3.313 1.00 0.00 C ATOM 510 O PRO A 82 0.197 1.538 -3.989 1.00 0.00 O ATOM 511 CB PRO A 82 0.204 4.540 -3.838 1.00 0.00 C ATOM 512 CG PRO A 82 1.442 5.224 -3.396 1.00 0.00 C ATOM 513 CD PRO A 82 2.228 4.168 -2.679 1.00 0.00 C ATOM 0 HA PRO A 82 -0.912 3.875 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.351 4.032 -4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.612 5.249 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.998 5.623 -4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.217 6.064 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.804 3.548 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.934 4.595 -1.967 1.00 0.00 H new ATOM 521 N TYR A 83 -1.821 1.897 -3.071 1.00 0.00 N ATOM 522 CA TYR A 83 -2.353 0.600 -3.410 1.00 0.00 C ATOM 523 C TYR A 83 -3.787 0.734 -3.911 1.00 0.00 C ATOM 524 O TYR A 83 -4.612 1.398 -3.286 1.00 0.00 O ATOM 525 CB TYR A 83 -2.268 -0.291 -2.161 1.00 0.00 C ATOM 526 CG TYR A 83 -3.385 -1.287 -1.999 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.625 -2.266 -2.947 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.190 -1.249 -0.875 1.00 0.00 C ATOM 529 CE1 TYR A 83 -4.648 -3.181 -2.779 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.210 -2.154 -0.700 1.00 0.00 C ATOM 531 CZ TYR A 83 -5.434 -3.119 -1.651 1.00 0.00 C ATOM 532 OH TYR A 83 -6.452 -4.022 -1.468 1.00 0.00 O ATOM 0 H TYR A 83 -2.496 2.524 -2.634 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.776 0.144 -4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.322 -0.833 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.245 0.350 -1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.005 -2.316 -3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.014 -0.495 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.829 -3.939 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.832 -2.106 0.181 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.111 -4.807 -0.991 1.00 0.00 H new ATOM 542 N ASN A 84 -4.056 0.139 -5.061 1.00 0.00 N ATOM 543 CA ASN A 84 -5.406 0.082 -5.608 1.00 0.00 C ATOM 544 C ASN A 84 -5.954 -1.334 -5.469 1.00 0.00 C ATOM 545 O ASN A 84 -5.280 -2.305 -5.807 1.00 0.00 O ATOM 546 CB ASN A 84 -5.439 0.537 -7.078 1.00 0.00 C ATOM 547 CG ASN A 84 -4.351 -0.083 -7.943 1.00 0.00 C ATOM 548 OD1 ASN A 84 -3.211 -0.262 -7.515 1.00 0.00 O ATOM 549 ND2 ASN A 84 -4.697 -0.418 -9.173 1.00 0.00 N ATOM 0 H ASN A 84 -3.351 -0.316 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.036 0.769 -5.043 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.412 0.289 -7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.343 1.622 -7.114 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.011 -0.839 -9.799 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.651 -0.256 -9.497 1.00 0.00 H new ATOM 556 N THR A 85 -7.183 -1.442 -4.973 1.00 0.00 N ATOM 557 CA THR A 85 -7.748 -2.726 -4.557 1.00 0.00 C ATOM 558 C THR A 85 -7.942 -3.699 -5.719 1.00 0.00 C ATOM 559 O THR A 85 -8.062 -4.907 -5.512 1.00 0.00 O ATOM 560 CB THR A 85 -9.091 -2.513 -3.833 1.00 0.00 C ATOM 561 OG1 THR A 85 -9.977 -1.735 -4.650 1.00 0.00 O ATOM 562 CG2 THR A 85 -8.875 -1.808 -2.507 1.00 0.00 C ATOM 0 H THR A 85 -7.813 -0.650 -4.848 1.00 0.00 H new ATOM 0 HA THR A 85 -7.023 -3.174 -3.877 1.00 0.00 H new ATOM 0 HB THR A 85 -9.537 -3.490 -3.647 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.894 -0.788 -4.413 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.835 -1.666 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.225 -2.413 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.410 -0.838 -2.682 1.00 0.00 H new ATOM 570 N SER A 86 -7.973 -3.175 -6.936 1.00 0.00 N ATOM 571 CA SER A 86 -8.166 -4.003 -8.118 1.00 0.00 C ATOM 572 C SER A 86 -6.835 -4.566 -8.625 1.00 0.00 C ATOM 573 O SER A 86 -6.808 -5.358 -9.571 1.00 0.00 O ATOM 574 CB SER A 86 -8.857 -3.191 -9.220 1.00 0.00 C ATOM 575 OG SER A 86 -9.163 -3.997 -10.344 1.00 0.00 O ATOM 0 H SER A 86 -7.867 -2.179 -7.131 1.00 0.00 H new ATOM 0 HA SER A 86 -8.801 -4.845 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.773 -2.749 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.211 -2.368 -9.526 1.00 0.00 H new ATOM 0 HG SER A 86 -8.491 -4.705 -10.431 1.00 0.00 H new ATOM 581 N ASP A 87 -5.735 -4.157 -8.000 1.00 0.00 N ATOM 582 CA ASP A 87 -4.407 -4.562 -8.452 1.00 0.00 C ATOM 583 C ASP A 87 -3.893 -5.738 -7.632 1.00 0.00 C ATOM 584 O ASP A 87 -4.549 -6.181 -6.689 1.00 0.00 O ATOM 585 CB ASP A 87 -3.430 -3.395 -8.340 1.00 0.00 C ATOM 586 CG ASP A 87 -2.522 -3.287 -9.546 1.00 0.00 C ATOM 587 OD1 ASP A 87 -1.583 -4.102 -9.674 1.00 0.00 O ATOM 588 OD2 ASP A 87 -2.750 -2.380 -10.381 1.00 0.00 O ATOM 0 H ASP A 87 -5.736 -3.548 -7.182 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.484 -4.868 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.989 -2.466 -8.225 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.824 -3.516 -7.442 1.00 0.00 H new ATOM 593 N ASP A 88 -2.715 -6.235 -7.989 1.00 0.00 N ATOM 594 CA ASP A 88 -2.130 -7.377 -7.297 1.00 0.00 C ATOM 595 C ASP A 88 -1.129 -6.922 -6.248 1.00 0.00 C ATOM 596 O ASP A 88 -0.480 -5.885 -6.414 1.00 0.00 O ATOM 597 CB ASP A 88 -1.438 -8.333 -8.271 1.00 0.00 C ATOM 598 CG ASP A 88 -2.413 -9.108 -9.131 1.00 0.00 C ATOM 599 OD1 ASP A 88 -2.907 -8.558 -10.138 1.00 0.00 O ATOM 600 OD2 ASP A 88 -2.685 -10.283 -8.815 1.00 0.00 O ATOM 0 H ASP A 88 -2.147 -5.866 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.950 -7.906 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.767 -7.764 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.822 -9.034 -7.708 1.00 0.00 H new ATOM 605 N PRO A 89 -0.986 -7.687 -5.159 1.00 0.00 N ATOM 606 CA PRO A 89 -0.080 -7.348 -4.061 1.00 0.00 C ATOM 607 C PRO A 89 1.348 -7.129 -4.522 1.00 0.00 C ATOM 608 O PRO A 89 1.869 -6.014 -4.450 1.00 0.00 O ATOM 609 CB PRO A 89 -0.146 -8.565 -3.131 1.00 0.00 C ATOM 610 CG PRO A 89 -0.810 -9.639 -3.927 1.00 0.00 C ATOM 611 CD PRO A 89 -1.708 -8.940 -4.900 1.00 0.00 C ATOM 0 HA PRO A 89 -0.377 -6.413 -3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.851 -8.871 -2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.713 -8.339 -2.228 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.073 -10.251 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.380 -10.307 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.850 -9.522 -5.811 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.697 -8.758 -4.480 1.00 0.00 H new ATOM 619 N TRP A 90 1.965 -8.192 -5.015 1.00 0.00 N ATOM 620 CA TRP A 90 3.367 -8.154 -5.381 1.00 0.00 C ATOM 621 C TRP A 90 3.621 -7.136 -6.482 1.00 0.00 C ATOM 622 O TRP A 90 4.702 -6.580 -6.564 1.00 0.00 O ATOM 623 CB TRP A 90 3.867 -9.548 -5.788 1.00 0.00 C ATOM 624 CG TRP A 90 3.149 -10.156 -6.956 1.00 0.00 C ATOM 625 CD1 TRP A 90 1.844 -10.559 -7.004 1.00 0.00 C ATOM 626 CD2 TRP A 90 3.708 -10.455 -8.240 1.00 0.00 C ATOM 627 NE1 TRP A 90 1.556 -11.074 -8.242 1.00 0.00 N ATOM 628 CE2 TRP A 90 2.684 -11.026 -9.018 1.00 0.00 C ATOM 629 CE3 TRP A 90 4.974 -10.291 -8.811 1.00 0.00 C ATOM 630 CZ2 TRP A 90 2.886 -11.433 -10.336 1.00 0.00 C ATOM 631 CZ3 TRP A 90 5.174 -10.698 -10.119 1.00 0.00 C ATOM 632 CH2 TRP A 90 4.133 -11.262 -10.867 1.00 0.00 C ATOM 0 H TRP A 90 1.513 -9.093 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 90 3.932 -7.839 -4.504 1.00 0.00 H new ATOM 0 HB2 TRP A 90 4.929 -9.483 -6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 90 3.772 -10.217 -4.933 1.00 0.00 H new ATOM 0 HD1 TRP A 90 1.142 -10.483 -6.187 1.00 0.00 H new ATOM 0 HE1 TRP A 90 0.649 -11.434 -8.537 1.00 0.00 H new ATOM 0 HE3 TRP A 90 5.781 -9.855 -8.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 2.086 -11.868 -10.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 6.148 -10.579 -10.570 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.320 -11.568 -11.886 1.00 0.00 H new ATOM 643 N LEU A 91 2.619 -6.875 -7.314 1.00 0.00 N ATOM 644 CA LEU A 91 2.761 -5.880 -8.369 1.00 0.00 C ATOM 645 C LEU A 91 2.763 -4.468 -7.789 1.00 0.00 C ATOM 646 O LEU A 91 3.641 -3.667 -8.098 1.00 0.00 O ATOM 647 CB LEU A 91 1.632 -6.019 -9.388 1.00 0.00 C ATOM 648 CG LEU A 91 1.553 -7.373 -10.087 1.00 0.00 C ATOM 649 CD1 LEU A 91 0.438 -7.379 -11.121 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.884 -7.705 -10.729 1.00 0.00 C ATOM 0 H LEU A 91 1.709 -7.334 -7.279 1.00 0.00 H new ATOM 0 HA LEU A 91 3.715 -6.053 -8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.684 -5.832 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.749 -5.243 -10.145 1.00 0.00 H new ATOM 0 HG LEU A 91 1.326 -8.137 -9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.399 -8.353 -11.608 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.515 -7.180 -10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.630 -6.608 -11.867 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.817 -8.673 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.136 -6.938 -11.462 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.658 -7.743 -9.963 1.00 0.00 H new ATOM 662 N THR A 92 1.806 -4.193 -6.909 1.00 0.00 N ATOM 663 CA THR A 92 1.693 -2.884 -6.269 1.00 0.00 C ATOM 664 C THR A 92 2.898 -2.616 -5.383 1.00 0.00 C ATOM 665 O THR A 92 3.479 -1.527 -5.399 1.00 0.00 O ATOM 666 CB THR A 92 0.405 -2.800 -5.425 1.00 0.00 C ATOM 667 OG1 THR A 92 -0.742 -2.948 -6.271 1.00 0.00 O ATOM 668 CG2 THR A 92 0.315 -1.483 -4.670 1.00 0.00 C ATOM 0 H THR A 92 1.093 -4.863 -6.620 1.00 0.00 H new ATOM 0 HA THR A 92 1.653 -2.130 -7.055 1.00 0.00 H new ATOM 0 HB THR A 92 0.433 -3.608 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.885 -3.898 -6.464 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.605 -1.460 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.171 -1.388 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.315 -0.656 -5.380 1.00 0.00 H new ATOM 676 N ALA A 93 3.274 -3.626 -4.628 1.00 0.00 N ATOM 677 CA ALA A 93 4.414 -3.544 -3.749 1.00 0.00 C ATOM 678 C ALA A 93 5.696 -3.344 -4.545 1.00 0.00 C ATOM 679 O ALA A 93 6.558 -2.553 -4.168 1.00 0.00 O ATOM 680 CB ALA A 93 4.487 -4.807 -2.923 1.00 0.00 C ATOM 0 H ALA A 93 2.796 -4.527 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 93 4.301 -2.685 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.346 -4.755 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.575 -4.910 -2.335 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.592 -5.668 -3.583 1.00 0.00 H new ATOM 686 N TYR A 94 5.796 -4.060 -5.659 1.00 0.00 N ATOM 687 CA TYR A 94 6.950 -3.972 -6.542 1.00 0.00 C ATOM 688 C TYR A 94 7.042 -2.567 -7.129 1.00 0.00 C ATOM 689 O TYR A 94 8.124 -1.990 -7.222 1.00 0.00 O ATOM 690 CB TYR A 94 6.802 -4.998 -7.660 1.00 0.00 C ATOM 691 CG TYR A 94 8.081 -5.340 -8.375 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.590 -4.499 -9.345 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.761 -6.517 -8.100 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.747 -4.816 -10.031 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.922 -6.841 -8.771 1.00 0.00 C ATOM 696 CZ TYR A 94 10.410 -5.991 -9.739 1.00 0.00 C ATOM 697 OH TYR A 94 11.557 -6.323 -10.426 1.00 0.00 O ATOM 0 H TYR A 94 5.081 -4.716 -5.974 1.00 0.00 H new ATOM 0 HA TYR A 94 7.861 -4.178 -5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.380 -5.912 -7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.085 -4.620 -8.388 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.075 -3.577 -9.571 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.376 -7.190 -7.349 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.130 -4.149 -10.790 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.446 -7.756 -8.539 1.00 0.00 H new ATOM 0 HH TYR A 94 11.899 -7.181 -10.097 1.00 0.00 H new ATOM 707 N ASN A 95 5.887 -2.022 -7.508 1.00 0.00 N ATOM 708 CA ASN A 95 5.809 -0.673 -8.070 1.00 0.00 C ATOM 709 C ASN A 95 6.393 0.355 -7.112 1.00 0.00 C ATOM 710 O ASN A 95 7.206 1.189 -7.506 1.00 0.00 O ATOM 711 CB ASN A 95 4.356 -0.298 -8.377 1.00 0.00 C ATOM 712 CG ASN A 95 3.773 -1.077 -9.538 1.00 0.00 C ATOM 713 OD1 ASN A 95 4.489 -1.488 -10.449 1.00 0.00 O ATOM 714 ND2 ASN A 95 2.464 -1.264 -9.523 1.00 0.00 N ATOM 0 H ASN A 95 4.987 -2.497 -7.436 1.00 0.00 H new ATOM 0 HA ASN A 95 6.389 -0.671 -8.993 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.747 -0.471 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.301 0.768 -8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.012 -1.766 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.907 -0.906 -8.747 1.00 0.00 H new ATOM 721 N PHE A 96 5.986 0.276 -5.849 1.00 0.00 N ATOM 722 CA PHE A 96 6.481 1.189 -4.828 1.00 0.00 C ATOM 723 C PHE A 96 7.937 0.902 -4.504 1.00 0.00 C ATOM 724 O PHE A 96 8.732 1.824 -4.316 1.00 0.00 O ATOM 725 CB PHE A 96 5.618 1.104 -3.565 1.00 0.00 C ATOM 726 CG PHE A 96 6.213 1.803 -2.372 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.374 3.180 -2.374 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.619 1.086 -1.253 1.00 0.00 C ATOM 729 CE1 PHE A 96 6.926 3.830 -1.288 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.173 1.733 -0.164 1.00 0.00 C ATOM 731 CZ PHE A 96 7.326 3.105 -0.182 1.00 0.00 C ATOM 0 H PHE A 96 5.314 -0.412 -5.509 1.00 0.00 H new ATOM 0 HA PHE A 96 6.417 2.204 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.639 1.535 -3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.457 0.055 -3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.064 3.752 -3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.501 0.013 -1.234 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.045 4.903 -1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.486 1.166 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.758 3.611 0.668 1.00 0.00 H new ATOM 741 N LEU A 97 8.287 -0.374 -4.453 1.00 0.00 N ATOM 742 CA LEU A 97 9.646 -0.779 -4.145 1.00 0.00 C ATOM 743 C LEU A 97 10.623 -0.178 -5.148 1.00 0.00 C ATOM 744 O LEU A 97 11.638 0.385 -4.765 1.00 0.00 O ATOM 745 CB LEU A 97 9.747 -2.300 -4.142 1.00 0.00 C ATOM 746 CG LEU A 97 10.421 -2.896 -2.915 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.604 -2.583 -1.675 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.585 -4.395 -3.074 1.00 0.00 C ATOM 0 H LEU A 97 7.645 -1.148 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 97 9.907 -0.409 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.743 -2.716 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.297 -2.615 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 97 11.411 -2.453 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.092 -3.012 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.526 -1.503 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.606 -3.009 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.069 -4.804 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.606 -4.857 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.199 -4.603 -3.951 1.00 0.00 H new ATOM 760 N GLN A 98 10.299 -0.273 -6.427 1.00 0.00 N ATOM 761 CA GLN A 98 11.131 0.333 -7.457 1.00 0.00 C ATOM 762 C GLN A 98 11.033 1.854 -7.406 1.00 0.00 C ATOM 763 O GLN A 98 12.022 2.562 -7.598 1.00 0.00 O ATOM 764 CB GLN A 98 10.733 -0.175 -8.837 1.00 0.00 C ATOM 765 CG GLN A 98 10.773 -1.687 -8.952 1.00 0.00 C ATOM 766 CD GLN A 98 12.091 -2.281 -8.493 1.00 0.00 C ATOM 767 OE1 GLN A 98 12.269 -2.588 -7.315 1.00 0.00 O ATOM 768 NE2 GLN A 98 13.011 -2.465 -9.423 1.00 0.00 N ATOM 0 H GLN A 98 9.473 -0.759 -6.776 1.00 0.00 H new ATOM 0 HA GLN A 98 12.166 0.047 -7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.727 0.174 -9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.400 0.257 -9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 98 9.963 -2.113 -8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 98 10.594 -1.972 -9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.821 -2.196 -10.388 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.911 -2.876 -9.176 1.00 0.00 H new ATOM 777 N LYS A 99 9.828 2.341 -7.118 1.00 0.00 N ATOM 778 CA LYS A 99 9.538 3.773 -7.090 1.00 0.00 C ATOM 779 C LYS A 99 10.413 4.489 -6.069 1.00 0.00 C ATOM 780 O LYS A 99 10.970 5.548 -6.347 1.00 0.00 O ATOM 781 CB LYS A 99 8.047 3.966 -6.757 1.00 0.00 C ATOM 782 CG LYS A 99 7.546 5.408 -6.738 1.00 0.00 C ATOM 783 CD LYS A 99 7.839 6.100 -5.413 1.00 0.00 C ATOM 784 CE LYS A 99 7.055 7.396 -5.268 1.00 0.00 C ATOM 785 NZ LYS A 99 7.253 8.299 -6.429 1.00 0.00 N ATOM 0 H LYS A 99 9.024 1.753 -6.897 1.00 0.00 H new ATOM 0 HA LYS A 99 9.758 4.206 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.458 3.407 -7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.853 3.522 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.016 5.965 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.472 5.420 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.590 5.430 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.906 6.310 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.994 7.168 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.363 7.906 -4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.844 9.231 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.270 8.402 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.784 7.897 -7.266 1.00 0.00 H new ATOM 799 N ASN A 100 10.545 3.900 -4.894 1.00 0.00 N ATOM 800 CA ASN A 100 11.306 4.517 -3.820 1.00 0.00 C ATOM 801 C ASN A 100 12.714 3.936 -3.757 1.00 0.00 C ATOM 802 O ASN A 100 13.562 4.396 -2.990 1.00 0.00 O ATOM 803 CB ASN A 100 10.583 4.314 -2.488 1.00 0.00 C ATOM 804 CG ASN A 100 10.784 5.461 -1.515 1.00 0.00 C ATOM 805 OD1 ASN A 100 9.859 5.841 -0.804 1.00 0.00 O ATOM 806 ND2 ASN A 100 11.993 6.002 -1.450 1.00 0.00 N ATOM 0 H ASN A 100 10.136 2.996 -4.658 1.00 0.00 H new ATOM 0 HA ASN A 100 11.389 5.586 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.517 4.189 -2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 100 10.935 3.391 -2.028 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.178 6.760 -0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.738 5.660 -2.057 1.00 0.00 H new ATOM 813 N ASP A 101 12.933 2.915 -4.585 1.00 0.00 N ATOM 814 CA ASP A 101 14.190 2.167 -4.628 1.00 0.00 C ATOM 815 C ASP A 101 14.446 1.472 -3.296 1.00 0.00 C ATOM 816 O ASP A 101 15.482 1.653 -2.660 1.00 0.00 O ATOM 817 CB ASP A 101 15.369 3.066 -5.020 1.00 0.00 C ATOM 818 CG ASP A 101 16.662 2.287 -5.202 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.675 1.322 -6.001 1.00 0.00 O ATOM 820 OD2 ASP A 101 17.673 2.645 -4.560 1.00 0.00 O ATOM 0 H ASP A 101 12.237 2.580 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 101 14.097 1.403 -5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.130 3.589 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.512 3.827 -4.253 1.00 0.00 H new ATOM 825 N LEU A 102 13.465 0.691 -2.865 1.00 0.00 N ATOM 826 CA LEU A 102 13.604 -0.113 -1.666 1.00 0.00 C ATOM 827 C LEU A 102 14.268 -1.439 -2.008 1.00 0.00 C ATOM 828 O LEU A 102 14.652 -1.680 -3.154 1.00 0.00 O ATOM 829 CB LEU A 102 12.242 -0.387 -1.015 1.00 0.00 C ATOM 830 CG LEU A 102 11.465 0.828 -0.501 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.367 2.033 -0.297 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.328 1.146 -1.446 1.00 0.00 C ATOM 0 H LEU A 102 12.563 0.599 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 102 14.220 0.445 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.617 -0.907 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.396 -1.070 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 102 11.052 0.580 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.776 2.873 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.140 1.790 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.834 2.303 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.778 2.011 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.728 1.367 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.657 0.289 -1.509 1.00 0.00 H new ATOM 844 N ASN A 103 14.387 -2.295 -1.012 1.00 0.00 N ATOM 845 CA ASN A 103 14.977 -3.607 -1.192 1.00 0.00 C ATOM 846 C ASN A 103 13.884 -4.622 -1.489 1.00 0.00 C ATOM 847 O ASN A 103 12.811 -4.576 -0.887 1.00 0.00 O ATOM 848 CB ASN A 103 15.720 -4.008 0.076 1.00 0.00 C ATOM 849 CG ASN A 103 16.653 -5.178 -0.141 1.00 0.00 C ATOM 850 OD1 ASN A 103 16.251 -6.333 -0.028 1.00 0.00 O ATOM 851 ND2 ASN A 103 17.903 -4.889 -0.458 1.00 0.00 N ATOM 0 H ASN A 103 14.079 -2.102 -0.059 1.00 0.00 H new ATOM 0 HA ASN A 103 15.677 -3.579 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.292 -3.155 0.442 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.997 -4.264 0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.575 -5.639 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.196 -3.916 -0.542 1.00 0.00 H new ATOM 858 N PRO A 104 14.152 -5.560 -2.418 1.00 0.00 N ATOM 859 CA PRO A 104 13.188 -6.595 -2.829 1.00 0.00 C ATOM 860 C PRO A 104 12.723 -7.460 -1.661 1.00 0.00 C ATOM 861 O PRO A 104 11.731 -8.181 -1.767 1.00 0.00 O ATOM 862 CB PRO A 104 13.972 -7.437 -3.842 1.00 0.00 C ATOM 863 CG PRO A 104 15.061 -6.542 -4.322 1.00 0.00 C ATOM 864 CD PRO A 104 15.423 -5.679 -3.150 1.00 0.00 C ATOM 0 HA PRO A 104 12.276 -6.157 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 104 14.376 -8.337 -3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 104 13.334 -7.760 -4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.920 -7.119 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.728 -5.937 -5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.200 -6.136 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.798 -4.706 -3.467 1.00 0.00 H new ATOM 872 N MET A 105 13.444 -7.371 -0.547 1.00 0.00 N ATOM 873 CA MET A 105 13.081 -8.061 0.683 1.00 0.00 C ATOM 874 C MET A 105 11.767 -7.520 1.248 1.00 0.00 C ATOM 875 O MET A 105 11.047 -8.220 1.961 1.00 0.00 O ATOM 876 CB MET A 105 14.199 -7.881 1.713 1.00 0.00 C ATOM 877 CG MET A 105 13.910 -8.501 3.067 1.00 0.00 C ATOM 878 SD MET A 105 15.193 -8.128 4.278 1.00 0.00 S ATOM 879 CE MET A 105 14.546 -8.964 5.722 1.00 0.00 C ATOM 0 H MET A 105 14.297 -6.817 -0.474 1.00 0.00 H new ATOM 0 HA MET A 105 12.946 -9.120 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 105 15.116 -8.317 1.316 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.385 -6.815 1.847 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.950 -8.137 3.434 1.00 0.00 H new ATOM 0 HG3 MET A 105 13.820 -9.582 2.958 1.00 0.00 H new ATOM 0 HE1 MET A 105 15.230 -8.826 6.559 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.571 -8.548 5.977 1.00 0.00 H new ATOM 0 HE3 MET A 105 14.442 -10.028 5.510 1.00 0.00 H new ATOM 889 N PHE A 106 11.440 -6.281 0.898 1.00 0.00 N ATOM 890 CA PHE A 106 10.280 -5.618 1.468 1.00 0.00 C ATOM 891 C PHE A 106 9.021 -5.983 0.697 1.00 0.00 C ATOM 892 O PHE A 106 7.914 -5.847 1.210 1.00 0.00 O ATOM 893 CB PHE A 106 10.474 -4.099 1.459 1.00 0.00 C ATOM 894 CG PHE A 106 11.561 -3.611 2.376 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.439 -3.757 3.750 1.00 0.00 C ATOM 896 CD2 PHE A 106 12.705 -3.004 1.871 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.433 -3.308 4.600 1.00 0.00 C ATOM 898 CE2 PHE A 106 13.700 -2.557 2.718 1.00 0.00 C ATOM 899 CZ PHE A 106 13.564 -2.709 4.083 1.00 0.00 C ATOM 0 H PHE A 106 11.962 -5.720 0.225 1.00 0.00 H new ATOM 0 HA PHE A 106 10.169 -5.954 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.701 -3.779 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.535 -3.622 1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 106 10.557 -4.227 4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 106 12.817 -2.881 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.324 -3.426 5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.584 -2.089 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.342 -2.360 4.746 1.00 0.00 H new ATOM 909 N LEU A 107 9.218 -6.485 -0.518 1.00 0.00 N ATOM 910 CA LEU A 107 8.128 -6.768 -1.451 1.00 0.00 C ATOM 911 C LEU A 107 7.054 -7.661 -0.833 1.00 0.00 C ATOM 912 O LEU A 107 5.866 -7.365 -0.941 1.00 0.00 O ATOM 913 CB LEU A 107 8.710 -7.399 -2.725 1.00 0.00 C ATOM 914 CG LEU A 107 7.709 -7.905 -3.765 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.757 -6.803 -4.158 1.00 0.00 C ATOM 916 CD2 LEU A 107 8.441 -8.395 -5.000 1.00 0.00 C ATOM 0 H LEU A 107 10.142 -6.709 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 107 7.635 -5.829 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.355 -6.662 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.345 -8.235 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 107 7.145 -8.728 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.051 -7.179 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.212 -6.462 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.319 -5.971 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.718 -8.753 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 107 9.019 -7.576 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 107 9.113 -9.208 -4.726 1.00 0.00 H new ATOM 928 N ASP A 108 7.463 -8.737 -0.179 1.00 0.00 N ATOM 929 CA ASP A 108 6.501 -9.656 0.424 1.00 0.00 C ATOM 930 C ASP A 108 5.736 -8.984 1.565 1.00 0.00 C ATOM 931 O ASP A 108 4.526 -9.165 1.701 1.00 0.00 O ATOM 932 CB ASP A 108 7.198 -10.918 0.934 1.00 0.00 C ATOM 933 CG ASP A 108 6.213 -11.928 1.494 1.00 0.00 C ATOM 934 OD1 ASP A 108 5.545 -12.621 0.695 1.00 0.00 O ATOM 935 OD2 ASP A 108 6.110 -12.040 2.733 1.00 0.00 O ATOM 0 H ASP A 108 8.441 -8.996 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 108 5.788 -9.939 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.761 -11.375 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.917 -10.647 1.707 1.00 0.00 H new ATOM 940 N GLN A 109 6.446 -8.188 2.361 1.00 0.00 N ATOM 941 CA GLN A 109 5.859 -7.514 3.515 1.00 0.00 C ATOM 942 C GLN A 109 4.747 -6.553 3.091 1.00 0.00 C ATOM 943 O GLN A 109 3.627 -6.600 3.615 1.00 0.00 O ATOM 944 CB GLN A 109 6.959 -6.747 4.258 1.00 0.00 C ATOM 945 CG GLN A 109 6.443 -5.611 5.122 1.00 0.00 C ATOM 946 CD GLN A 109 7.558 -4.756 5.694 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.660 -5.242 5.947 1.00 0.00 O ATOM 948 NE2 GLN A 109 7.281 -3.476 5.886 1.00 0.00 N ATOM 0 H GLN A 109 7.438 -7.993 2.225 1.00 0.00 H new ATOM 0 HA GLN A 109 5.417 -8.264 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.513 -7.444 4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.663 -6.345 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.777 -4.983 4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.850 -6.022 5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.353 -3.116 5.662 1.00 0.00 H new ATOM 0 HE22 GLN A 109 7.995 -2.850 6.258 1.00 0.00 H new ATOM 957 N VAL A 110 5.051 -5.710 2.118 1.00 0.00 N ATOM 958 CA VAL A 110 4.100 -4.723 1.645 1.00 0.00 C ATOM 959 C VAL A 110 2.948 -5.386 0.904 1.00 0.00 C ATOM 960 O VAL A 110 1.788 -5.024 1.094 1.00 0.00 O ATOM 961 CB VAL A 110 4.771 -3.666 0.741 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.395 -2.573 1.570 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.844 -4.284 -0.122 1.00 0.00 C ATOM 0 H VAL A 110 5.952 -5.691 1.640 1.00 0.00 H new ATOM 0 HA VAL A 110 3.707 -4.214 2.525 1.00 0.00 H new ATOM 0 HB VAL A 110 3.991 -3.249 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.862 -1.839 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.625 -2.086 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.150 -3.002 2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.297 -3.514 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.608 -4.732 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.403 -5.053 -0.756 1.00 0.00 H new ATOM 973 N ALA A 111 3.276 -6.376 0.086 1.00 0.00 N ATOM 974 CA ALA A 111 2.278 -7.096 -0.696 1.00 0.00 C ATOM 975 C ALA A 111 1.270 -7.802 0.207 1.00 0.00 C ATOM 976 O ALA A 111 0.081 -7.837 -0.096 1.00 0.00 O ATOM 977 CB ALA A 111 2.953 -8.093 -1.621 1.00 0.00 C ATOM 0 H ALA A 111 4.232 -6.702 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 111 1.733 -6.369 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.196 -8.623 -2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.623 -7.564 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.525 -8.808 -1.030 1.00 0.00 H new ATOM 983 N LYS A 112 1.746 -8.364 1.312 1.00 0.00 N ATOM 984 CA LYS A 112 0.868 -9.020 2.270 1.00 0.00 C ATOM 985 C LYS A 112 -0.149 -8.052 2.845 1.00 0.00 C ATOM 986 O LYS A 112 -1.337 -8.367 2.933 1.00 0.00 O ATOM 987 CB LYS A 112 1.683 -9.655 3.390 1.00 0.00 C ATOM 988 CG LYS A 112 1.761 -11.159 3.263 1.00 0.00 C ATOM 989 CD LYS A 112 2.449 -11.575 1.974 1.00 0.00 C ATOM 990 CE LYS A 112 2.282 -13.058 1.704 1.00 0.00 C ATOM 991 NZ LYS A 112 3.023 -13.475 0.487 1.00 0.00 N ATOM 0 H LYS A 112 2.734 -8.378 1.565 1.00 0.00 H new ATOM 0 HA LYS A 112 0.324 -9.802 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.691 -9.240 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 112 1.238 -9.397 4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.304 -11.569 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.756 -11.580 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.038 -11.005 1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 112 3.510 -11.333 2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.639 -13.628 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.224 -13.291 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.706 -14.421 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.841 -12.796 -0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.042 -13.500 0.693 1.00 0.00 H new ATOM 1005 N PHE A 113 0.317 -6.875 3.234 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.584 -5.839 3.728 1.00 0.00 C ATOM 1007 C PHE A 113 -1.586 -5.452 2.640 1.00 0.00 C ATOM 1008 O PHE A 113 -2.774 -5.261 2.911 1.00 0.00 O ATOM 1009 CB PHE A 113 0.195 -4.609 4.191 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.621 -3.719 5.082 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.539 -2.839 4.541 1.00 0.00 C ATOM 1012 CD2 PHE A 113 -0.479 -3.773 6.459 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -2.306 -2.027 5.352 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -1.241 -2.963 7.277 1.00 0.00 C ATOM 1015 CZ PHE A 113 -2.156 -2.088 6.723 1.00 0.00 C ATOM 0 H PHE A 113 1.303 -6.613 3.219 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.126 -6.239 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 113 1.091 -4.929 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.526 -4.043 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.658 -2.786 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.235 -4.455 6.897 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -3.021 -1.346 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.122 -3.013 8.349 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.753 -1.453 7.361 1.00 0.00 H new ATOM 1025 N ILE A 114 -1.097 -5.362 1.409 1.00 0.00 N ATOM 1026 CA ILE A 114 -1.937 -5.077 0.252 1.00 0.00 C ATOM 1027 C ILE A 114 -3.056 -6.111 0.121 1.00 0.00 C ATOM 1028 O ILE A 114 -4.222 -5.766 -0.087 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.083 -5.082 -1.029 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.113 -3.908 -1.035 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -1.954 -5.052 -2.272 1.00 0.00 C ATOM 1032 CD1 ILE A 114 1.026 -4.101 -2.003 1.00 0.00 C ATOM 0 H ILE A 114 -0.109 -5.484 1.185 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.386 -4.093 0.392 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.509 -6.009 -1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.653 -2.997 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.288 -3.768 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.321 -5.056 -3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.602 -5.929 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.565 -4.149 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.686 -3.234 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.586 -4.996 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.631 -4.213 -3.013 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.688 -7.377 0.259 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.647 -8.471 0.204 1.00 0.00 C ATOM 1046 C ILE A 115 -4.673 -8.352 1.316 1.00 0.00 C ATOM 1047 O ILE A 115 -5.873 -8.414 1.064 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.950 -9.837 0.329 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.205 -10.173 -0.957 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.966 -10.922 0.656 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -1.133 -11.219 -0.781 1.00 0.00 C ATOM 0 H ILE A 115 -1.724 -7.673 0.411 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.142 -8.405 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.227 -9.785 1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.921 -10.521 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.752 -9.264 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.458 -11.883 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.458 -10.687 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.710 -10.975 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.646 -11.406 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.394 -10.866 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.582 -12.143 -0.416 1.00 0.00 H new ATOM 1063 N ASP A 116 -4.186 -8.160 2.535 1.00 0.00 N ATOM 1064 CA ASP A 116 -5.032 -8.185 3.727 1.00 0.00 C ATOM 1065 C ASP A 116 -6.153 -7.156 3.647 1.00 0.00 C ATOM 1066 O ASP A 116 -7.244 -7.386 4.157 1.00 0.00 O ATOM 1067 CB ASP A 116 -4.202 -7.962 4.989 1.00 0.00 C ATOM 1068 CG ASP A 116 -4.615 -8.878 6.128 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -5.600 -9.636 5.977 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -3.925 -8.874 7.172 1.00 0.00 O ATOM 0 H ASP A 116 -3.200 -7.983 2.728 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.488 -9.174 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.149 -8.125 4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.303 -6.924 5.307 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.878 -6.017 3.018 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.893 -4.975 2.849 1.00 0.00 C ATOM 1077 C ASN A 117 -8.071 -5.483 2.013 1.00 0.00 C ATOM 1078 O ASN A 117 -9.193 -5.010 2.156 1.00 0.00 O ATOM 1079 CB ASN A 117 -6.285 -3.725 2.199 1.00 0.00 C ATOM 1080 CG ASN A 117 -7.296 -2.603 2.019 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -7.519 -1.799 2.925 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -7.897 -2.528 0.839 1.00 0.00 N ATOM 0 H ASN A 117 -4.967 -5.790 2.618 1.00 0.00 H new ATOM 0 HA ASN A 117 -7.264 -4.710 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.458 -3.368 2.813 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.869 -3.992 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.571 -1.785 0.656 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.685 -3.214 0.114 1.00 0.00 H new ATOM 1089 N THR A 118 -7.804 -6.441 1.135 1.00 0.00 N ATOM 1090 CA THR A 118 -8.857 -7.086 0.358 1.00 0.00 C ATOM 1091 C THR A 118 -9.130 -8.494 0.882 1.00 0.00 C ATOM 1092 O THR A 118 -9.939 -9.242 0.327 1.00 0.00 O ATOM 1093 CB THR A 118 -8.497 -7.150 -1.138 1.00 0.00 C ATOM 1094 OG1 THR A 118 -7.099 -7.446 -1.300 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.834 -5.839 -1.830 1.00 0.00 C ATOM 0 H THR A 118 -6.865 -6.790 0.942 1.00 0.00 H new ATOM 0 HA THR A 118 -9.757 -6.482 0.469 1.00 0.00 H new ATOM 0 HB THR A 118 -9.085 -7.945 -1.597 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.771 -7.920 -0.507 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.571 -5.907 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.901 -5.641 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.271 -5.028 -1.368 1.00 0.00 H new