USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 392 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: B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 23 HIS : no HE2:sc= -1.32 X(o=-1.3,f=-0.89) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.00292 USER MOD Set 2.2: A 12 THR OG1 : rot -73:sc= 0.00308 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.392 K(o=-0.39,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0835) USER MOD Single : A 23 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.019) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ -121:sc= -0.0935 (180deg=-0.74) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc=-0.00415 X(o=-0.0042,f=-0.042) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.2!) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 19.747 7.623 -18.860 1.00 0.00 N ATOM 70 CA PHE A 6 19.778 7.259 -17.453 1.00 0.00 C ATOM 71 C PHE A 6 19.252 5.838 -17.242 1.00 0.00 C ATOM 72 O PHE A 6 18.244 5.452 -17.834 1.00 0.00 O ATOM 73 CB PHE A 6 18.865 8.242 -16.717 1.00 0.00 C ATOM 74 CG PHE A 6 19.500 8.871 -15.475 1.00 0.00 C ATOM 75 CD1 PHE A 6 19.561 8.167 -14.313 1.00 0.00 C ATOM 76 CD2 PHE A 6 20.004 10.132 -15.533 1.00 0.00 C ATOM 77 CE1 PHE A 6 20.151 8.750 -13.160 1.00 0.00 C ATOM 78 CE2 PHE A 6 20.593 10.715 -14.380 1.00 0.00 C ATOM 79 CZ PHE A 6 20.653 10.012 -13.217 1.00 0.00 C ATOM 0 HA PHE A 6 20.802 7.297 -17.081 1.00 0.00 H new ATOM 0 HB2 PHE A 6 18.573 9.036 -17.405 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.952 7.724 -16.423 1.00 0.00 H new ATOM 0 HD1 PHE A 6 19.161 7.165 -14.267 1.00 0.00 H new ATOM 0 HD2 PHE A 6 19.956 10.691 -16.456 1.00 0.00 H new ATOM 0 HE1 PHE A 6 20.201 8.190 -12.238 1.00 0.00 H new ATOM 0 HE2 PHE A 6 20.993 11.717 -14.426 1.00 0.00 H new ATOM 0 HZ PHE A 6 21.099 10.456 -12.339 1.00 0.00 H new ATOM 88 N THR A 7 19.958 5.099 -16.398 1.00 0.00 N ATOM 89 CA THR A 7 19.574 3.729 -16.104 1.00 0.00 C ATOM 90 C THR A 7 19.489 3.513 -14.591 1.00 0.00 C ATOM 91 O THR A 7 20.506 3.532 -13.899 1.00 0.00 O ATOM 92 CB THR A 7 20.574 2.800 -16.794 1.00 0.00 C ATOM 93 OG1 THR A 7 20.331 2.999 -18.183 1.00 0.00 O ATOM 94 CG2 THR A 7 20.252 1.321 -16.567 1.00 0.00 C ATOM 0 H THR A 7 20.793 5.423 -15.909 1.00 0.00 H new ATOM 0 HA THR A 7 18.580 3.505 -16.490 1.00 0.00 H new ATOM 0 HB THR A 7 21.579 3.013 -16.429 1.00 0.00 H new ATOM 0 HG1 THR A 7 20.939 2.435 -18.705 1.00 0.00 H new ATOM 0 HG21 THR A 7 20.992 0.705 -17.078 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.274 1.104 -15.499 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.261 1.100 -16.962 1.00 0.00 H new ATOM 102 N VAL A 8 18.266 3.315 -14.122 1.00 0.00 N ATOM 103 CA VAL A 8 18.035 3.097 -12.705 1.00 0.00 C ATOM 104 C VAL A 8 17.305 1.766 -12.511 1.00 0.00 C ATOM 105 O VAL A 8 16.183 1.594 -12.985 1.00 0.00 O ATOM 106 CB VAL A 8 17.278 4.287 -12.108 1.00 0.00 C ATOM 107 CG1 VAL A 8 16.890 4.015 -10.654 1.00 0.00 C ATOM 108 CG2 VAL A 8 18.099 5.572 -12.226 1.00 0.00 C ATOM 0 H VAL A 8 17.425 3.301 -14.699 1.00 0.00 H new ATOM 0 HA VAL A 8 18.982 3.030 -12.170 1.00 0.00 H new ATOM 0 HB VAL A 8 16.360 4.422 -12.679 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.354 4.875 -10.253 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.250 3.134 -10.607 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.790 3.841 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.539 6.402 -11.795 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.041 5.452 -11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 8 18.303 5.779 -13.277 1.00 0.00 H new ATOM 132 N GLY A 10 16.337 -1.392 -13.483 1.00 0.00 N ATOM 133 CA GLY A 10 16.236 -2.186 -14.694 1.00 0.00 C ATOM 134 C GLY A 10 15.354 -1.490 -15.733 1.00 0.00 C ATOM 135 O GLY A 10 14.908 -2.116 -16.694 1.00 0.00 O ATOM 0 HA2 GLY A 10 17.230 -2.352 -15.108 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.821 -3.166 -14.457 1.00 0.00 H new ATOM 139 N ARG A 11 15.127 -0.206 -15.504 1.00 0.00 N ATOM 140 CA ARG A 11 14.307 0.582 -16.409 1.00 0.00 C ATOM 141 C ARG A 11 15.140 1.695 -17.049 1.00 0.00 C ATOM 142 O ARG A 11 15.489 2.672 -16.390 1.00 0.00 O ATOM 143 CB ARG A 11 13.118 1.204 -15.673 1.00 0.00 C ATOM 144 CG ARG A 11 13.569 1.889 -14.382 1.00 0.00 C ATOM 145 CD ARG A 11 13.230 1.033 -13.160 1.00 0.00 C ATOM 146 NE ARG A 11 13.062 1.895 -11.970 1.00 0.00 N ATOM 147 CZ ARG A 11 12.424 1.513 -10.842 1.00 0.00 C ATOM 148 NH1 ARG A 11 11.889 0.278 -10.743 1.00 0.00 N ATOM 149 NH2 ARG A 11 12.333 2.365 -9.838 1.00 0.00 N ATOM 0 H ARG A 11 15.496 0.309 -14.705 1.00 0.00 H new ATOM 0 HA ARG A 11 13.932 -0.087 -17.184 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.624 1.929 -16.320 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.385 0.432 -15.442 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.643 2.069 -14.418 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.086 2.862 -14.294 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.315 0.469 -13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.023 0.306 -12.984 1.00 0.00 H new ATOM 0 HE ARG A 11 13.452 2.837 -12.003 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.965 -0.375 -11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.409 -0.003 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.741 3.296 -9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.855 2.092 -8.979 1.00 0.00 H new ATOM 159 N THR A 12 15.434 1.509 -18.328 1.00 0.00 N ATOM 160 CA THR A 12 16.219 2.484 -19.065 1.00 0.00 C ATOM 161 C THR A 12 15.310 3.562 -19.658 1.00 0.00 C ATOM 162 O THR A 12 14.300 3.251 -20.288 1.00 0.00 O ATOM 163 CB THR A 12 17.038 1.734 -20.117 1.00 0.00 C ATOM 164 OG1 THR A 12 17.951 0.953 -19.352 1.00 0.00 O ATOM 165 CG2 THR A 12 17.938 2.665 -20.932 1.00 0.00 C ATOM 0 H THR A 12 15.142 0.697 -18.872 1.00 0.00 H new ATOM 0 HA THR A 12 16.911 3.012 -18.409 1.00 0.00 H new ATOM 0 HB THR A 12 16.365 1.200 -20.788 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.642 1.535 -18.973 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.497 2.082 -21.664 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.325 3.404 -21.448 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.634 3.174 -20.265 1.00 0.00 H new ATOM 173 N ALA A 13 15.701 4.809 -19.436 1.00 0.00 N ATOM 174 CA ALA A 13 14.933 5.935 -19.941 1.00 0.00 C ATOM 175 C ALA A 13 15.881 6.931 -20.613 1.00 0.00 C ATOM 176 O ALA A 13 16.922 7.274 -20.056 1.00 0.00 O ATOM 177 CB ALA A 13 14.139 6.566 -18.797 1.00 0.00 C ATOM 0 H ALA A 13 16.539 5.064 -18.914 1.00 0.00 H new ATOM 0 HA ALA A 13 14.215 5.605 -20.691 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.563 7.410 -19.176 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.461 5.825 -18.373 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.826 6.913 -18.025 1.00 0.00 H new ATOM 183 N LEU A 14 15.485 7.368 -21.799 1.00 0.00 N ATOM 184 CA LEU A 14 16.284 8.319 -22.551 1.00 0.00 C ATOM 185 C LEU A 14 15.423 9.528 -22.917 1.00 0.00 C ATOM 186 O LEU A 14 14.226 9.552 -22.631 1.00 0.00 O ATOM 187 CB LEU A 14 16.929 7.637 -23.761 1.00 0.00 C ATOM 188 CG LEU A 14 15.973 7.184 -24.865 1.00 0.00 C ATOM 189 CD1 LEU A 14 16.579 7.423 -26.248 1.00 0.00 C ATOM 190 CD2 LEU A 14 15.559 5.724 -24.666 1.00 0.00 C ATOM 0 H LEU A 14 14.621 7.081 -22.258 1.00 0.00 H new ATOM 0 HA LEU A 14 17.109 8.688 -21.941 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.655 8.324 -24.196 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.484 6.767 -23.409 1.00 0.00 H new ATOM 0 HG LEU A 14 15.068 7.788 -24.802 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.878 7.092 -27.014 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.783 8.486 -26.377 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.509 6.862 -26.340 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.879 5.427 -25.464 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.444 5.089 -24.688 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.058 5.616 -23.704 1.00 0.00 H new ATOM 201 N ASN A 15 16.064 10.506 -23.541 1.00 0.00 N ATOM 202 CA ASN A 15 15.370 11.716 -23.948 1.00 0.00 C ATOM 203 C ASN A 15 15.226 11.729 -25.471 1.00 0.00 C ATOM 204 O ASN A 15 16.222 11.763 -26.191 1.00 0.00 O ATOM 205 CB ASN A 15 16.155 12.964 -23.537 1.00 0.00 C ATOM 206 CG ASN A 15 15.358 14.235 -23.834 1.00 0.00 C ATOM 207 OD1 ASN A 15 14.410 14.581 -23.146 1.00 0.00 O ATOM 208 ND2 ASN A 15 15.791 14.910 -24.895 1.00 0.00 N ATOM 0 H ASN A 15 17.057 10.485 -23.775 1.00 0.00 H new ATOM 0 HA ASN A 15 14.395 11.726 -23.462 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.389 12.917 -22.473 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.105 12.993 -24.071 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.324 15.772 -25.176 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.590 14.566 -25.427 1.00 0.00 H new ATOM 214 N THR A 16 13.978 11.702 -25.914 1.00 0.00 N ATOM 215 CA THR A 16 13.690 11.708 -27.339 1.00 0.00 C ATOM 216 C THR A 16 13.074 13.048 -27.751 1.00 0.00 C ATOM 217 O THR A 16 11.891 13.288 -27.520 1.00 0.00 O ATOM 218 CB THR A 16 12.794 10.508 -27.647 1.00 0.00 C ATOM 219 OG1 THR A 16 13.666 9.388 -27.538 1.00 0.00 O ATOM 220 CG2 THR A 16 12.333 10.480 -29.105 1.00 0.00 C ATOM 0 H THR A 16 13.155 11.676 -25.312 1.00 0.00 H new ATOM 0 HA THR A 16 14.602 11.609 -27.927 1.00 0.00 H new ATOM 0 HB THR A 16 11.923 10.528 -26.992 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.166 8.565 -27.721 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.700 9.608 -29.270 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.768 11.386 -29.325 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.202 10.426 -29.760 1.00 0.00 H new ATOM 242 N ALA A 18 12.084 16.285 -27.167 1.00 0.00 N ATOM 243 CA ALA A 18 11.782 17.158 -26.046 1.00 0.00 C ATOM 244 C ALA A 18 10.824 16.442 -25.091 1.00 0.00 C ATOM 245 O ALA A 18 10.193 17.079 -24.249 1.00 0.00 O ATOM 246 CB ALA A 18 11.209 18.477 -26.567 1.00 0.00 C ATOM 0 HA ALA A 18 12.688 17.394 -25.488 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.982 19.132 -25.726 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.939 18.960 -27.217 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.297 18.280 -27.130 1.00 0.00 H new ATOM 252 N VAL A 19 10.746 15.130 -25.255 1.00 0.00 N ATOM 253 CA VAL A 19 9.874 14.322 -24.418 1.00 0.00 C ATOM 254 C VAL A 19 10.702 13.234 -23.731 1.00 0.00 C ATOM 255 O VAL A 19 11.732 12.809 -24.253 1.00 0.00 O ATOM 256 CB VAL A 19 8.722 13.760 -25.253 1.00 0.00 C ATOM 257 CG1 VAL A 19 8.031 14.867 -26.051 1.00 0.00 C ATOM 258 CG2 VAL A 19 9.207 12.640 -26.176 1.00 0.00 C ATOM 0 H VAL A 19 11.272 14.606 -25.955 1.00 0.00 H new ATOM 0 HA VAL A 19 9.422 14.931 -23.635 1.00 0.00 H new ATOM 0 HB VAL A 19 7.990 13.335 -24.567 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.216 14.440 -26.636 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.633 15.615 -25.366 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.751 15.336 -26.721 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.368 12.259 -26.758 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.969 13.029 -26.851 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.630 11.833 -25.578 1.00 0.00 H new ATOM 268 N GLN A 20 10.220 12.814 -22.570 1.00 0.00 N ATOM 269 CA GLN A 20 10.901 11.783 -21.806 1.00 0.00 C ATOM 270 C GLN A 20 10.357 10.402 -22.174 1.00 0.00 C ATOM 271 O GLN A 20 9.154 10.234 -22.361 1.00 0.00 O ATOM 272 CB GLN A 20 10.773 12.040 -20.303 1.00 0.00 C ATOM 273 CG GLN A 20 11.731 13.144 -19.851 1.00 0.00 C ATOM 274 CD GLN A 20 11.024 14.139 -18.928 1.00 0.00 C ATOM 275 OE1 GLN A 20 9.859 13.997 -18.594 1.00 0.00 O ATOM 276 NE2 GLN A 20 11.792 15.149 -18.533 1.00 0.00 N ATOM 0 H GLN A 20 9.366 13.169 -22.140 1.00 0.00 H new ATOM 0 HA GLN A 20 11.961 11.813 -22.058 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.748 12.324 -20.065 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.985 11.122 -19.754 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.582 12.702 -19.332 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.125 13.667 -20.722 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.760 15.208 -18.850 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.414 15.865 -17.913 1.00 0.00 H new ATOM 283 N LYS A 21 11.271 9.447 -22.268 1.00 0.00 N ATOM 284 CA LYS A 21 10.898 8.086 -22.612 1.00 0.00 C ATOM 285 C LYS A 21 11.452 7.128 -21.555 1.00 0.00 C ATOM 286 O LYS A 21 12.664 6.942 -21.455 1.00 0.00 O ATOM 287 CB LYS A 21 11.341 7.751 -24.038 1.00 0.00 C ATOM 288 CG LYS A 21 10.223 7.048 -24.809 1.00 0.00 C ATOM 289 CD LYS A 21 10.337 5.528 -24.676 1.00 0.00 C ATOM 290 CE LYS A 21 10.816 4.896 -25.983 1.00 0.00 C ATOM 291 NZ LYS A 21 12.194 4.374 -25.833 1.00 0.00 N ATOM 0 H LYS A 21 12.269 9.589 -22.112 1.00 0.00 H new ATOM 0 HA LYS A 21 9.814 7.976 -22.607 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.627 8.665 -24.558 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.224 7.112 -24.008 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.254 7.378 -24.433 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.270 7.329 -25.861 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.032 5.281 -23.873 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.369 5.110 -24.400 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.144 4.087 -26.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.786 5.635 -26.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.621 4.247 -26.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.763 5.049 -25.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.167 3.460 -25.338 1.00 0.00 H new ATOM 300 N TRP A 22 10.540 6.544 -20.793 1.00 0.00 N ATOM 301 CA TRP A 22 10.922 5.611 -19.747 1.00 0.00 C ATOM 302 C TRP A 22 10.397 4.227 -20.135 1.00 0.00 C ATOM 303 O TRP A 22 9.228 4.078 -20.486 1.00 0.00 O ATOM 304 CB TRP A 22 10.417 6.080 -18.382 1.00 0.00 C ATOM 305 CG TRP A 22 11.357 7.058 -17.674 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.608 8.336 -17.988 1.00 0.00 C ATOM 307 CD2 TRP A 22 12.165 6.783 -16.510 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.516 8.903 -17.117 1.00 0.00 N ATOM 309 CE2 TRP A 22 12.866 7.928 -16.189 1.00 0.00 C ATOM 310 CE3 TRP A 22 12.302 5.605 -15.754 1.00 0.00 C ATOM 311 CZ2 TRP A 22 13.750 8.008 -15.107 1.00 0.00 C ATOM 312 CZ3 TRP A 22 13.188 5.703 -14.675 1.00 0.00 C ATOM 313 CH2 TRP A 22 13.901 6.848 -14.339 1.00 0.00 C ATOM 0 H TRP A 22 9.536 6.699 -20.879 1.00 0.00 H new ATOM 0 HA TRP A 22 12.007 5.559 -19.653 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.444 6.555 -18.509 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.266 5.210 -17.743 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.156 8.857 -18.819 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.866 9.861 -17.148 1.00 0.00 H new ATOM 0 HE3 TRP A 22 11.766 4.697 -15.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 14.287 8.916 -14.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 13.328 4.827 -14.060 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.568 6.842 -13.490 1.00 0.00 H new ATOM 323 N HIS A 23 11.289 3.250 -20.059 1.00 0.00 N ATOM 324 CA HIS A 23 10.930 1.882 -20.397 1.00 0.00 C ATOM 325 C HIS A 23 11.238 0.963 -19.214 1.00 0.00 C ATOM 326 O HIS A 23 12.387 0.857 -18.787 1.00 0.00 O ATOM 327 CB HIS A 23 11.626 1.441 -21.686 1.00 0.00 C ATOM 328 CG HIS A 23 10.934 0.305 -22.400 1.00 0.00 C ATOM 329 ND1 HIS A 23 11.452 -0.292 -23.536 1.00 0.00 N ATOM 330 CD2 HIS A 23 9.762 -0.338 -22.127 1.00 0.00 C ATOM 331 CE1 HIS A 23 10.620 -1.249 -23.922 1.00 0.00 C ATOM 332 NE2 HIS A 23 9.574 -1.275 -23.047 1.00 0.00 N ATOM 0 H HIS A 23 12.258 3.378 -19.769 1.00 0.00 H new ATOM 0 HA HIS A 23 9.859 1.821 -20.591 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.692 2.294 -22.361 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.647 1.140 -21.451 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.100 -0.121 -21.302 1.00 0.00 H new ATOM 0 HE1 HIS A 23 10.748 -1.894 -24.778 1.00 0.00 H new ATOM 0 HE2 HIS A 23 8.778 -1.911 -23.093 1.00 0.00 H new ATOM 339 N PHE A 24 10.191 0.321 -18.716 1.00 0.00 N ATOM 340 CA PHE A 24 10.334 -0.586 -17.591 1.00 0.00 C ATOM 341 C PHE A 24 10.128 -2.038 -18.027 1.00 0.00 C ATOM 342 O PHE A 24 9.046 -2.406 -18.483 1.00 0.00 O ATOM 343 CB PHE A 24 9.252 -0.212 -16.575 1.00 0.00 C ATOM 344 CG PHE A 24 9.575 1.039 -15.755 1.00 0.00 C ATOM 345 CD1 PHE A 24 9.464 2.270 -16.321 1.00 0.00 C ATOM 346 CD2 PHE A 24 9.973 0.919 -14.460 1.00 0.00 C ATOM 347 CE1 PHE A 24 9.763 3.432 -15.561 1.00 0.00 C ATOM 348 CE2 PHE A 24 10.272 2.080 -13.699 1.00 0.00 C ATOM 349 CZ PHE A 24 10.161 3.312 -14.265 1.00 0.00 C ATOM 0 H PHE A 24 9.239 0.412 -19.072 1.00 0.00 H new ATOM 0 HA PHE A 24 11.335 -0.501 -17.169 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.311 -0.055 -17.103 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.101 -1.051 -15.895 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.148 2.364 -17.349 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.062 -0.059 -14.011 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.675 4.410 -16.011 1.00 0.00 H new ATOM 0 HE2 PHE A 24 10.588 1.985 -12.671 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.389 4.195 -13.686 1.00 0.00 H new ATOM 358 N VAL A 25 11.182 -2.825 -17.868 1.00 0.00 N ATOM 359 CA VAL A 25 11.129 -4.229 -18.239 1.00 0.00 C ATOM 360 C VAL A 25 11.588 -5.083 -17.056 1.00 0.00 C ATOM 361 O VAL A 25 12.758 -5.048 -16.678 1.00 0.00 O ATOM 362 CB VAL A 25 11.957 -4.467 -19.505 1.00 0.00 C ATOM 363 CG1 VAL A 25 11.595 -5.805 -20.153 1.00 0.00 C ATOM 364 CG2 VAL A 25 11.787 -3.314 -20.497 1.00 0.00 C ATOM 0 H VAL A 25 12.077 -2.517 -17.488 1.00 0.00 H new ATOM 0 HA VAL A 25 10.106 -4.523 -18.475 1.00 0.00 H new ATOM 0 HB VAL A 25 13.007 -4.508 -19.215 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.197 -5.950 -21.050 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.791 -6.615 -19.450 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.539 -5.805 -20.421 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.386 -3.508 -21.387 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.737 -3.227 -20.778 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.117 -2.384 -20.034 1.00 0.00 H new ATOM 374 N LEU A 26 10.643 -5.830 -16.504 1.00 0.00 N ATOM 375 CA LEU A 26 10.936 -6.690 -15.371 1.00 0.00 C ATOM 376 C LEU A 26 10.182 -8.012 -15.532 1.00 0.00 C ATOM 377 O LEU A 26 9.085 -8.173 -15.002 1.00 0.00 O ATOM 378 CB LEU A 26 10.636 -5.967 -14.057 1.00 0.00 C ATOM 379 CG LEU A 26 11.750 -5.068 -13.515 1.00 0.00 C ATOM 380 CD1 LEU A 26 11.205 -4.082 -12.480 1.00 0.00 C ATOM 381 CD2 LEU A 26 12.905 -5.902 -12.959 1.00 0.00 C ATOM 0 H LEU A 26 9.674 -5.857 -16.821 1.00 0.00 H new ATOM 0 HA LEU A 26 11.999 -6.930 -15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.742 -5.360 -14.196 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.399 -6.715 -13.300 1.00 0.00 H new ATOM 0 HG LEU A 26 12.146 -4.479 -14.342 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.017 -3.456 -12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.443 -3.454 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.766 -4.633 -11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.683 -5.239 -12.580 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.541 -6.534 -12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.316 -6.528 -13.751 1.00 0.00 H new ATOM 406 N GLY A 28 7.876 -10.417 -17.060 1.00 0.00 N ATOM 407 CA GLY A 28 6.700 -10.362 -17.914 1.00 0.00 C ATOM 408 C GLY A 28 5.944 -9.047 -17.722 1.00 0.00 C ATOM 409 O GLY A 28 4.942 -8.799 -18.392 1.00 0.00 O ATOM 0 HA2 GLY A 28 6.999 -10.465 -18.957 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.042 -11.201 -17.687 1.00 0.00 H new ATOM 413 N TYR A 29 6.451 -8.238 -16.804 1.00 0.00 N ATOM 414 CA TYR A 29 5.835 -6.954 -16.515 1.00 0.00 C ATOM 415 C TYR A 29 6.581 -5.818 -17.217 1.00 0.00 C ATOM 416 O TYR A 29 7.713 -5.496 -16.857 1.00 0.00 O ATOM 417 CB TYR A 29 5.949 -6.762 -15.001 1.00 0.00 C ATOM 418 CG TYR A 29 4.840 -7.450 -14.202 1.00 0.00 C ATOM 419 CD1 TYR A 29 4.340 -8.666 -14.621 1.00 0.00 C ATOM 420 CD2 TYR A 29 4.338 -6.853 -13.062 1.00 0.00 C ATOM 421 CE1 TYR A 29 3.296 -9.313 -13.868 1.00 0.00 C ATOM 422 CE2 TYR A 29 3.295 -7.499 -12.311 1.00 0.00 C ATOM 423 CZ TYR A 29 2.826 -8.697 -12.750 1.00 0.00 C ATOM 424 OH TYR A 29 1.839 -9.307 -12.041 1.00 0.00 O ATOM 0 H TYR A 29 7.282 -8.447 -16.250 1.00 0.00 H new ATOM 0 HA TYR A 29 4.802 -6.938 -16.862 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.914 -7.145 -14.668 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.935 -5.695 -14.778 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.731 -9.132 -15.513 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.729 -5.901 -12.734 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.896 -10.265 -14.184 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.894 -7.042 -11.418 1.00 0.00 H new ATOM 0 HH TYR A 29 1.602 -8.754 -11.267 1.00 0.00 H new ATOM 433 N LYS A 30 5.917 -5.241 -18.209 1.00 0.00 N ATOM 434 CA LYS A 30 6.504 -4.148 -18.965 1.00 0.00 C ATOM 435 C LYS A 30 5.607 -2.914 -18.848 1.00 0.00 C ATOM 436 O LYS A 30 4.468 -2.922 -19.315 1.00 0.00 O ATOM 437 CB LYS A 30 6.769 -4.579 -20.409 1.00 0.00 C ATOM 438 CG LYS A 30 5.476 -4.597 -21.224 1.00 0.00 C ATOM 439 CD LYS A 30 5.675 -5.329 -22.553 1.00 0.00 C ATOM 440 CE LYS A 30 4.726 -6.525 -22.668 1.00 0.00 C ATOM 441 NZ LYS A 30 5.444 -7.785 -22.378 1.00 0.00 N ATOM 0 H LYS A 30 4.979 -5.510 -18.506 1.00 0.00 H new ATOM 0 HA LYS A 30 7.476 -3.877 -18.552 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.484 -3.897 -20.870 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.222 -5.570 -20.419 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.688 -5.085 -20.651 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.147 -3.575 -21.413 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.501 -4.641 -23.381 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.707 -5.670 -22.633 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.894 -6.405 -21.974 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.301 -6.564 -23.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.786 -8.586 -22.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.223 -7.905 -23.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.829 -7.751 -21.412 1.00 0.00 H new ATOM 450 N CYS A 31 6.154 -1.882 -18.221 1.00 0.00 N ATOM 451 CA CYS A 31 5.417 -0.644 -18.036 1.00 0.00 C ATOM 452 C CYS A 31 6.094 0.447 -18.870 1.00 0.00 C ATOM 453 O CYS A 31 7.020 1.106 -18.401 1.00 0.00 O ATOM 454 CB CYS A 31 5.324 -0.256 -16.559 1.00 0.00 C ATOM 455 SG CYS A 31 4.529 -1.509 -15.487 1.00 0.00 S ATOM 0 H CYS A 31 7.098 -1.878 -17.835 1.00 0.00 H new ATOM 0 HA CYS A 31 4.389 -0.776 -18.375 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.329 -0.062 -16.184 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.768 0.678 -16.477 1.00 0.00 H new ATOM 459 N GLU A 32 5.606 0.602 -20.091 1.00 0.00 N ATOM 460 CA GLU A 32 6.152 1.601 -20.994 1.00 0.00 C ATOM 461 C GLU A 32 5.342 2.896 -20.906 1.00 0.00 C ATOM 462 O GLU A 32 4.113 2.869 -20.959 1.00 0.00 O ATOM 463 CB GLU A 32 6.194 1.077 -22.431 1.00 0.00 C ATOM 464 CG GLU A 32 4.781 0.879 -22.983 1.00 0.00 C ATOM 465 CD GLU A 32 4.609 -0.530 -23.558 1.00 0.00 C ATOM 466 OE1 GLU A 32 5.603 -1.248 -23.746 1.00 0.00 O ATOM 467 OE2 GLU A 32 3.390 -0.871 -23.810 1.00 0.00 O ATOM 0 H GLU A 32 4.838 0.053 -20.477 1.00 0.00 H new ATOM 0 HA GLU A 32 7.177 1.815 -20.690 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.740 1.778 -23.062 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.736 0.132 -22.462 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.051 1.044 -22.191 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.583 1.619 -23.758 1.00 0.00 H new ATOM 473 N ILE A 33 6.064 4.000 -20.771 1.00 0.00 N ATOM 474 CA ILE A 33 5.427 5.302 -20.676 1.00 0.00 C ATOM 475 C ILE A 33 6.060 6.252 -21.695 1.00 0.00 C ATOM 476 O ILE A 33 7.272 6.222 -21.906 1.00 0.00 O ATOM 477 CB ILE A 33 5.480 5.820 -19.236 1.00 0.00 C ATOM 478 CG1 ILE A 33 6.912 6.187 -18.840 1.00 0.00 C ATOM 479 CG2 ILE A 33 4.856 4.814 -18.267 1.00 0.00 C ATOM 480 CD1 ILE A 33 6.923 7.108 -17.619 1.00 0.00 C ATOM 0 H ILE A 33 7.083 4.019 -20.725 1.00 0.00 H new ATOM 0 HA ILE A 33 4.369 5.227 -20.926 1.00 0.00 H new ATOM 0 HB ILE A 33 4.885 6.732 -19.178 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.477 5.281 -18.622 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.410 6.679 -19.676 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.907 5.207 -17.252 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.814 4.645 -18.539 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.402 3.872 -18.319 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.952 7.354 -17.358 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.378 8.024 -17.849 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.446 6.604 -16.779 1.00 0.00 H new ATOM 491 N LEU A 34 5.213 7.071 -22.299 1.00 0.00 N ATOM 492 CA LEU A 34 5.675 8.027 -23.292 1.00 0.00 C ATOM 493 C LEU A 34 5.384 9.446 -22.800 1.00 0.00 C ATOM 494 O LEU A 34 4.400 10.060 -23.212 1.00 0.00 O ATOM 495 CB LEU A 34 5.067 7.713 -24.661 1.00 0.00 C ATOM 496 CG LEU A 34 6.060 7.559 -25.815 1.00 0.00 C ATOM 497 CD1 LEU A 34 5.421 6.822 -26.992 1.00 0.00 C ATOM 498 CD2 LEU A 34 6.633 8.917 -26.231 1.00 0.00 C ATOM 0 H LEU A 34 4.209 7.093 -22.120 1.00 0.00 H new ATOM 0 HA LEU A 34 6.754 7.950 -23.423 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.491 6.792 -24.578 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.364 8.507 -24.915 1.00 0.00 H new ATOM 0 HG LEU A 34 6.895 6.950 -25.469 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.148 6.726 -27.799 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.102 5.830 -26.671 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.557 7.384 -27.347 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.336 8.779 -27.053 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.822 9.571 -26.553 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.149 9.369 -25.384 1.00 0.00 H new ATOM 509 N ALA A 35 6.256 9.926 -21.927 1.00 0.00 N ATOM 510 CA ALA A 35 6.106 11.262 -21.374 1.00 0.00 C ATOM 511 C ALA A 35 7.358 12.082 -21.687 1.00 0.00 C ATOM 512 O ALA A 35 7.554 13.162 -21.128 1.00 0.00 O ATOM 513 CB ALA A 35 5.831 11.166 -19.872 1.00 0.00 C ATOM 0 H ALA A 35 7.070 9.414 -21.588 1.00 0.00 H new ATOM 0 HA ALA A 35 5.256 11.772 -21.828 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.719 12.168 -19.458 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.915 10.600 -19.705 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.663 10.662 -19.381 1.00 0.00 H new ATOM 571 N LYS B 5 -14.734 -10.227 -17.498 1.00 0.00 N ATOM 572 CA LYS B 5 -13.774 -9.142 -17.395 1.00 0.00 C ATOM 573 C LYS B 5 -14.089 -8.305 -16.152 1.00 0.00 C ATOM 574 O LYS B 5 -15.198 -7.795 -16.008 1.00 0.00 O ATOM 575 CB LYS B 5 -13.744 -8.328 -18.691 1.00 0.00 C ATOM 576 CG LYS B 5 -15.077 -7.615 -18.921 1.00 0.00 C ATOM 577 CD LYS B 5 -15.135 -7.002 -20.323 1.00 0.00 C ATOM 578 CE LYS B 5 -14.558 -5.585 -20.325 1.00 0.00 C ATOM 579 NZ LYS B 5 -15.396 -4.682 -19.503 1.00 0.00 N ATOM 0 HA LYS B 5 -12.766 -9.536 -17.269 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -12.938 -7.595 -18.646 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -13.529 -8.986 -19.533 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -15.898 -8.321 -18.794 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -15.210 -6.834 -18.173 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -14.577 -7.627 -21.021 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -16.168 -6.979 -20.671 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -13.540 -5.600 -19.936 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -14.503 -5.210 -21.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -15.744 -3.899 -20.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -16.204 -5.212 -19.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -14.829 -4.300 -18.719 1.00 0.00 H new ATOM 588 N PHE B 6 -13.092 -8.192 -15.287 1.00 0.00 N ATOM 589 CA PHE B 6 -13.248 -7.428 -14.060 1.00 0.00 C ATOM 590 C PHE B 6 -12.542 -6.076 -14.164 1.00 0.00 C ATOM 591 O PHE B 6 -11.479 -5.972 -14.775 1.00 0.00 O ATOM 592 CB PHE B 6 -12.602 -8.244 -12.939 1.00 0.00 C ATOM 593 CG PHE B 6 -13.602 -8.826 -11.938 1.00 0.00 C ATOM 594 CD1 PHE B 6 -14.162 -8.025 -10.992 1.00 0.00 C ATOM 595 CD2 PHE B 6 -13.930 -10.144 -11.994 1.00 0.00 C ATOM 596 CE1 PHE B 6 -15.089 -8.565 -10.063 1.00 0.00 C ATOM 597 CE2 PHE B 6 -14.857 -10.685 -11.064 1.00 0.00 C ATOM 598 CZ PHE B 6 -15.417 -9.884 -10.118 1.00 0.00 C ATOM 0 H PHE B 6 -12.173 -8.617 -15.411 1.00 0.00 H new ATOM 0 HA PHE B 6 -14.305 -7.242 -13.869 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -12.029 -9.059 -13.381 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -11.894 -7.611 -12.404 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -13.901 -6.978 -10.948 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -13.486 -10.780 -12.746 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -15.534 -7.929 -9.312 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -15.117 -11.732 -11.108 1.00 0.00 H new ATOM 0 HZ PHE B 6 -16.122 -10.295 -9.411 1.00 0.00 H new ATOM 607 N THR B 7 -13.160 -5.072 -13.557 1.00 0.00 N ATOM 608 CA THR B 7 -12.602 -3.730 -13.574 1.00 0.00 C ATOM 609 C THR B 7 -12.328 -3.250 -12.148 1.00 0.00 C ATOM 610 O THR B 7 -13.217 -2.718 -11.485 1.00 0.00 O ATOM 611 CB THR B 7 -13.568 -2.827 -14.343 1.00 0.00 C ATOM 612 OG1 THR B 7 -13.357 -3.178 -15.709 1.00 0.00 O ATOM 613 CG2 THR B 7 -13.171 -1.351 -14.273 1.00 0.00 C ATOM 0 H THR B 7 -14.041 -5.161 -13.051 1.00 0.00 H new ATOM 0 HA THR B 7 -11.638 -3.708 -14.083 1.00 0.00 H new ATOM 0 HB THR B 7 -14.575 -2.951 -13.946 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.945 -2.641 -16.279 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.889 -0.754 -14.835 1.00 0.00 H new ATOM 0 HG22 THR B 7 -13.163 -1.025 -13.233 1.00 0.00 H new ATOM 0 HG23 THR B 7 -12.177 -1.221 -14.701 1.00 0.00 H new ATOM 621 N VAL B 8 -11.091 -3.454 -11.717 1.00 0.00 N ATOM 622 CA VAL B 8 -10.688 -3.048 -10.381 1.00 0.00 C ATOM 623 C VAL B 8 -9.407 -2.217 -10.470 1.00 0.00 C ATOM 624 O VAL B 8 -8.479 -2.575 -11.192 1.00 0.00 O ATOM 625 CB VAL B 8 -10.541 -4.277 -9.483 1.00 0.00 C ATOM 626 CG1 VAL B 8 -9.115 -4.827 -9.535 1.00 0.00 C ATOM 627 CG2 VAL B 8 -10.952 -3.958 -8.044 1.00 0.00 C ATOM 0 H VAL B 8 -10.355 -3.895 -12.269 1.00 0.00 H new ATOM 0 HA VAL B 8 -11.453 -2.419 -9.926 1.00 0.00 H new ATOM 0 HB VAL B 8 -11.212 -5.048 -9.860 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -9.038 -5.700 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -8.872 -5.112 -10.559 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -8.417 -4.061 -9.196 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -10.838 -4.849 -7.427 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -10.318 -3.162 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -11.993 -3.635 -8.026 1.00 0.00 H new ATOM 651 N GLY B 10 -8.977 0.216 -11.950 1.00 0.00 N ATOM 652 CA GLY B 10 -9.016 0.911 -13.226 1.00 0.00 C ATOM 653 C GLY B 10 -8.307 0.100 -14.313 1.00 0.00 C ATOM 654 O GLY B 10 -8.159 0.565 -15.442 1.00 0.00 O ATOM 0 HA2 GLY B 10 -10.052 1.088 -13.516 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -8.541 1.887 -13.127 1.00 0.00 H new ATOM 658 N ARG B 11 -7.887 -1.098 -13.933 1.00 0.00 N ATOM 659 CA ARG B 11 -7.197 -1.977 -14.861 1.00 0.00 C ATOM 660 C ARG B 11 -8.132 -3.095 -15.328 1.00 0.00 C ATOM 661 O ARG B 11 -8.750 -3.775 -14.510 1.00 0.00 O ATOM 662 CB ARG B 11 -5.957 -2.597 -14.214 1.00 0.00 C ATOM 663 CG ARG B 11 -6.324 -3.356 -12.938 1.00 0.00 C ATOM 664 CD ARG B 11 -5.766 -2.652 -11.700 1.00 0.00 C ATOM 665 NE ARG B 11 -6.207 -3.356 -10.475 1.00 0.00 N ATOM 666 CZ ARG B 11 -5.560 -3.293 -9.292 1.00 0.00 C ATOM 667 NH1 ARG B 11 -4.435 -2.557 -9.164 1.00 0.00 N ATOM 668 NH2 ARG B 11 -6.042 -3.963 -8.263 1.00 0.00 N ATOM 0 H ARG B 11 -8.011 -1.480 -12.995 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.886 -1.377 -15.716 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.476 -3.275 -14.919 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.235 -1.815 -13.981 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -7.408 -3.436 -12.857 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -5.933 -4.372 -12.990 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.677 -2.629 -11.744 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.106 -1.617 -11.676 1.00 0.00 H new ATOM 0 HE ARG B 11 -7.052 -3.924 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.068 -2.043 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -3.952 -2.515 -8.266 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.891 -4.518 -8.368 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.565 -3.926 -7.362 1.00 0.00 H new ATOM 678 N THR B 12 -8.205 -3.252 -16.642 1.00 0.00 N ATOM 679 CA THR B 12 -9.053 -4.276 -17.228 1.00 0.00 C ATOM 680 C THR B 12 -8.315 -5.614 -17.282 1.00 0.00 C ATOM 681 O THR B 12 -7.378 -5.779 -18.063 1.00 0.00 O ATOM 682 CB THR B 12 -9.515 -3.780 -18.599 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.351 -2.664 -18.303 1.00 0.00 O ATOM 684 CG2 THR B 12 -10.448 -4.771 -19.298 1.00 0.00 C ATOM 0 H THR B 12 -7.690 -2.687 -17.317 1.00 0.00 H new ATOM 0 HA THR B 12 -9.937 -4.454 -16.616 1.00 0.00 H new ATOM 0 HB THR B 12 -8.645 -3.596 -19.229 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.692 -2.281 -19.138 1.00 0.00 H new ATOM 0 HG21 THR B 12 -10.746 -4.369 -20.267 1.00 0.00 H new ATOM 0 HG22 THR B 12 -9.930 -5.719 -19.442 1.00 0.00 H new ATOM 0 HG23 THR B 12 -11.334 -4.932 -18.684 1.00 0.00 H new ATOM 692 N ALA B 13 -8.763 -6.537 -16.444 1.00 0.00 N ATOM 693 CA ALA B 13 -8.156 -7.856 -16.387 1.00 0.00 C ATOM 694 C ALA B 13 -9.197 -8.907 -16.776 1.00 0.00 C ATOM 695 O ALA B 13 -10.260 -8.991 -16.164 1.00 0.00 O ATOM 696 CB ALA B 13 -7.582 -8.092 -14.990 1.00 0.00 C ATOM 0 H ALA B 13 -9.540 -6.397 -15.798 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.331 -7.932 -17.095 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -7.126 -9.081 -14.946 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.828 -7.335 -14.774 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -8.382 -8.028 -14.252 1.00 0.00 H new ATOM 702 N LEU B 14 -8.853 -9.685 -17.793 1.00 0.00 N ATOM 703 CA LEU B 14 -9.744 -10.729 -18.271 1.00 0.00 C ATOM 704 C LEU B 14 -8.981 -12.053 -18.337 1.00 0.00 C ATOM 705 O LEU B 14 -7.752 -12.066 -18.332 1.00 0.00 O ATOM 706 CB LEU B 14 -10.384 -10.320 -19.600 1.00 0.00 C ATOM 707 CG LEU B 14 -9.549 -10.582 -20.855 1.00 0.00 C ATOM 708 CD1 LEU B 14 -10.394 -11.239 -21.948 1.00 0.00 C ATOM 709 CD2 LEU B 14 -8.876 -9.297 -21.344 1.00 0.00 C ATOM 0 H LEU B 14 -7.970 -9.613 -18.299 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.572 -10.872 -17.576 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -11.332 -10.848 -19.702 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -10.615 -9.256 -19.557 1.00 0.00 H new ATOM 0 HG LEU B 14 -8.755 -11.283 -20.597 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -9.777 -11.414 -22.829 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -10.785 -12.189 -21.584 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -11.223 -10.582 -22.211 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -8.289 -9.511 -22.237 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -9.638 -8.554 -21.580 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -8.221 -8.909 -20.563 1.00 0.00 H new ATOM 720 N ASN B 15 -9.742 -13.135 -18.399 1.00 0.00 N ATOM 721 CA ASN B 15 -9.154 -14.462 -18.466 1.00 0.00 C ATOM 722 C ASN B 15 -9.239 -14.981 -19.902 1.00 0.00 C ATOM 723 O ASN B 15 -10.331 -15.218 -20.417 1.00 0.00 O ATOM 724 CB ASN B 15 -9.903 -15.444 -17.564 1.00 0.00 C ATOM 725 CG ASN B 15 -9.892 -14.968 -16.109 1.00 0.00 C ATOM 726 OD1 ASN B 15 -8.872 -14.956 -15.441 1.00 0.00 O ATOM 727 ND2 ASN B 15 -11.082 -14.581 -15.658 1.00 0.00 N ATOM 0 H ASN B 15 -10.762 -13.120 -18.404 1.00 0.00 H new ATOM 0 HA ASN B 15 -8.118 -14.388 -18.135 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -10.932 -15.548 -17.909 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -9.443 -16.430 -17.632 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -11.180 -14.248 -14.699 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -11.896 -14.617 -16.271 1.00 0.00 H new ATOM 733 N THR B 16 -8.074 -15.142 -20.511 1.00 0.00 N ATOM 734 CA THR B 16 -8.003 -15.628 -21.879 1.00 0.00 C ATOM 735 C THR B 16 -7.433 -17.048 -21.911 1.00 0.00 C ATOM 736 O THR B 16 -6.217 -17.233 -21.888 1.00 0.00 O ATOM 737 CB THR B 16 -7.186 -14.625 -22.695 1.00 0.00 C ATOM 738 OG1 THR B 16 -8.036 -13.487 -22.799 1.00 0.00 O ATOM 739 CG2 THR B 16 -6.987 -15.075 -24.144 1.00 0.00 C ATOM 0 H THR B 16 -7.170 -14.944 -20.082 1.00 0.00 H new ATOM 0 HA THR B 16 -8.994 -15.700 -22.326 1.00 0.00 H new ATOM 0 HB THR B 16 -6.215 -14.479 -22.223 1.00 0.00 H new ATOM 0 HG1 THR B 16 -7.583 -12.786 -23.313 1.00 0.00 H new ATOM 0 HG21 THR B 16 -6.401 -14.328 -24.680 1.00 0.00 H new ATOM 0 HG22 THR B 16 -6.460 -16.029 -24.160 1.00 0.00 H new ATOM 0 HG23 THR B 16 -7.958 -15.189 -24.626 1.00 0.00 H new ATOM 761 N ALA B 18 -6.179 -19.896 -20.450 1.00 0.00 N ATOM 762 CA ALA B 18 -5.589 -20.320 -19.191 1.00 0.00 C ATOM 763 C ALA B 18 -4.491 -19.333 -18.790 1.00 0.00 C ATOM 764 O ALA B 18 -3.668 -19.630 -17.928 1.00 0.00 O ATOM 765 CB ALA B 18 -5.066 -21.751 -19.326 1.00 0.00 C ATOM 0 HA ALA B 18 -6.337 -20.321 -18.399 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -4.624 -22.067 -18.381 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -5.890 -22.417 -19.582 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -4.311 -21.790 -20.111 1.00 0.00 H new ATOM 771 N VAL B 19 -4.514 -18.177 -19.438 1.00 0.00 N ATOM 772 CA VAL B 19 -3.531 -17.143 -19.161 1.00 0.00 C ATOM 773 C VAL B 19 -4.240 -15.905 -18.607 1.00 0.00 C ATOM 774 O VAL B 19 -5.411 -15.671 -18.903 1.00 0.00 O ATOM 775 CB VAL B 19 -2.712 -16.849 -20.419 1.00 0.00 C ATOM 776 CG1 VAL B 19 -2.082 -18.128 -20.975 1.00 0.00 C ATOM 777 CG2 VAL B 19 -3.567 -16.153 -21.480 1.00 0.00 C ATOM 0 H VAL B 19 -5.198 -17.934 -20.154 1.00 0.00 H new ATOM 0 HA VAL B 19 -2.826 -17.481 -18.401 1.00 0.00 H new ATOM 0 HB VAL B 19 -1.905 -16.171 -20.142 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.505 -17.891 -21.869 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -1.424 -18.566 -20.224 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -2.867 -18.840 -21.228 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -2.960 -15.955 -22.364 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.405 -16.795 -21.751 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -3.946 -15.212 -21.082 1.00 0.00 H new ATOM 787 N GLN B 20 -3.500 -15.145 -17.811 1.00 0.00 N ATOM 788 CA GLN B 20 -4.044 -13.938 -17.214 1.00 0.00 C ATOM 789 C GLN B 20 -3.637 -12.711 -18.032 1.00 0.00 C ATOM 790 O GLN B 20 -2.462 -12.533 -18.347 1.00 0.00 O ATOM 791 CB GLN B 20 -3.596 -13.799 -15.757 1.00 0.00 C ATOM 792 CG GLN B 20 -4.388 -14.740 -14.848 1.00 0.00 C ATOM 793 CD GLN B 20 -5.414 -13.966 -14.017 1.00 0.00 C ATOM 794 OE1 GLN B 20 -5.274 -12.782 -13.756 1.00 0.00 O ATOM 795 NE2 GLN B 20 -6.450 -14.696 -13.618 1.00 0.00 N ATOM 0 H GLN B 20 -2.530 -15.342 -17.567 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.132 -14.010 -17.221 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -2.532 -14.021 -15.677 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -3.732 -12.769 -15.428 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -4.896 -15.492 -15.452 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -3.705 -15.272 -14.186 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.506 -15.683 -13.871 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -7.189 -14.270 -13.059 1.00 0.00 H new ATOM 802 N LYS B 21 -4.632 -11.897 -18.352 1.00 0.00 N ATOM 803 CA LYS B 21 -4.393 -10.692 -19.128 1.00 0.00 C ATOM 804 C LYS B 21 -4.750 -9.467 -18.282 1.00 0.00 C ATOM 805 O LYS B 21 -5.916 -9.251 -17.959 1.00 0.00 O ATOM 806 CB LYS B 21 -5.138 -10.757 -20.462 1.00 0.00 C ATOM 807 CG LYS B 21 -4.284 -10.190 -21.596 1.00 0.00 C ATOM 808 CD LYS B 21 -4.008 -11.255 -22.660 1.00 0.00 C ATOM 809 CE LYS B 21 -4.224 -10.694 -24.067 1.00 0.00 C ATOM 810 NZ LYS B 21 -3.015 -9.979 -24.531 1.00 0.00 N ATOM 0 H LYS B 21 -5.606 -12.048 -18.088 1.00 0.00 H new ATOM 0 HA LYS B 21 -3.337 -10.606 -19.384 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -5.404 -11.791 -20.684 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -6.070 -10.197 -20.389 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -4.794 -9.341 -22.050 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.341 -9.818 -21.195 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.984 -11.615 -22.562 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.664 -12.111 -22.501 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -4.461 -11.505 -24.756 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -5.077 -10.016 -24.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -3.179 -9.605 -25.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -2.806 -9.193 -23.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.209 -10.636 -24.550 1.00 0.00 H new ATOM 819 N TRP B 22 -3.722 -8.700 -17.947 1.00 0.00 N ATOM 820 CA TRP B 22 -3.912 -7.503 -17.147 1.00 0.00 C ATOM 821 C TRP B 22 -3.372 -6.311 -17.940 1.00 0.00 C ATOM 822 O TRP B 22 -2.172 -6.224 -18.196 1.00 0.00 O ATOM 823 CB TRP B 22 -3.256 -7.653 -15.773 1.00 0.00 C ATOM 824 CG TRP B 22 -4.180 -8.237 -14.702 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.763 -9.443 -14.685 1.00 0.00 C ATOM 826 CD2 TRP B 22 -4.605 -7.587 -13.486 1.00 0.00 C ATOM 827 NE1 TRP B 22 -5.530 -9.617 -13.550 1.00 0.00 N ATOM 828 CE2 TRP B 22 -5.431 -8.452 -12.798 1.00 0.00 C ATOM 829 CE3 TRP B 22 -4.301 -6.309 -12.982 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -6.022 -8.135 -11.569 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -4.899 -6.007 -11.754 1.00 0.00 C ATOM 832 CH2 TRP B 22 -5.734 -6.867 -11.050 1.00 0.00 C ATOM 0 H TRP B 22 -2.755 -8.885 -18.215 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.971 -7.337 -16.949 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.378 -8.292 -15.869 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -2.904 -6.676 -15.441 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -4.648 -10.185 -15.461 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -6.070 -10.448 -13.308 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -3.657 -5.616 -13.502 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -6.665 -8.830 -11.050 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -4.698 -5.038 -11.323 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -6.159 -6.558 -10.106 1.00 0.00 H new ATOM 842 N HIS B 23 -4.284 -5.423 -18.307 1.00 0.00 N ATOM 843 CA HIS B 23 -3.915 -4.241 -19.066 1.00 0.00 C ATOM 844 C HIS B 23 -4.088 -2.996 -18.194 1.00 0.00 C ATOM 845 O HIS B 23 -5.127 -2.815 -17.563 1.00 0.00 O ATOM 846 CB HIS B 23 -4.708 -4.165 -20.373 1.00 0.00 C ATOM 847 CG HIS B 23 -4.243 -5.136 -21.431 1.00 0.00 C ATOM 848 ND1 HIS B 23 -3.498 -4.746 -22.532 1.00 0.00 N ATOM 849 CD2 HIS B 23 -4.424 -6.484 -21.546 1.00 0.00 C ATOM 850 CE1 HIS B 23 -3.250 -5.819 -23.269 1.00 0.00 C ATOM 851 NE2 HIS B 23 -3.824 -6.893 -22.656 1.00 0.00 N ATOM 0 H HIS B 23 -5.278 -5.499 -18.093 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.864 -4.300 -19.349 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -5.760 -4.353 -20.159 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.640 -3.152 -20.769 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -3.193 -3.795 -22.740 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -4.964 -7.111 -20.852 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -2.691 -5.839 -24.193 1.00 0.00 H new ATOM 858 N PHE B 24 -3.052 -2.170 -18.186 1.00 0.00 N ATOM 859 CA PHE B 24 -3.076 -0.948 -17.402 1.00 0.00 C ATOM 860 C PHE B 24 -2.978 0.285 -18.304 1.00 0.00 C ATOM 861 O PHE B 24 -2.036 0.414 -19.084 1.00 0.00 O ATOM 862 CB PHE B 24 -1.857 -0.986 -16.477 1.00 0.00 C ATOM 863 CG PHE B 24 -1.989 -1.972 -15.316 1.00 0.00 C ATOM 864 CD1 PHE B 24 -1.784 -3.301 -15.525 1.00 0.00 C ATOM 865 CD2 PHE B 24 -2.311 -1.521 -14.073 1.00 0.00 C ATOM 866 CE1 PHE B 24 -1.907 -4.216 -14.446 1.00 0.00 C ATOM 867 CE2 PHE B 24 -2.433 -2.438 -12.995 1.00 0.00 C ATOM 868 CZ PHE B 24 -2.229 -3.765 -13.205 1.00 0.00 C ATOM 0 H PHE B 24 -2.191 -2.324 -18.710 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.010 -0.883 -16.843 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -0.976 -1.247 -17.064 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.687 0.013 -16.075 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.528 -3.660 -16.511 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.474 -0.466 -13.906 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.745 -5.271 -14.612 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.688 -2.080 -12.008 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.323 -4.462 -12.385 1.00 0.00 H new ATOM 877 N VAL B 25 -3.964 1.159 -18.166 1.00 0.00 N ATOM 878 CA VAL B 25 -4.001 2.375 -18.958 1.00 0.00 C ATOM 879 C VAL B 25 -4.227 3.574 -18.034 1.00 0.00 C ATOM 880 O VAL B 25 -5.227 3.631 -17.319 1.00 0.00 O ATOM 881 CB VAL B 25 -5.063 2.256 -20.053 1.00 0.00 C ATOM 882 CG1 VAL B 25 -4.490 1.583 -21.302 1.00 0.00 C ATOM 883 CG2 VAL B 25 -6.296 1.506 -19.541 1.00 0.00 C ATOM 0 H VAL B 25 -4.743 1.049 -17.517 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.048 2.529 -19.464 1.00 0.00 H new ATOM 0 HB VAL B 25 -5.374 3.263 -20.329 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -5.265 1.511 -22.065 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -3.658 2.174 -21.685 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -4.137 0.584 -21.047 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.036 1.435 -20.338 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -6.007 0.504 -19.224 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -6.724 2.044 -18.696 1.00 0.00 H new ATOM 893 N LEU B 26 -3.283 4.502 -18.080 1.00 0.00 N ATOM 894 CA LEU B 26 -3.367 5.697 -17.256 1.00 0.00 C ATOM 895 C LEU B 26 -2.815 6.891 -18.039 1.00 0.00 C ATOM 896 O LEU B 26 -1.749 7.410 -17.714 1.00 0.00 O ATOM 897 CB LEU B 26 -2.674 5.469 -15.911 1.00 0.00 C ATOM 898 CG LEU B 26 -2.791 6.606 -14.895 1.00 0.00 C ATOM 899 CD1 LEU B 26 -3.595 6.167 -13.671 1.00 0.00 C ATOM 900 CD2 LEU B 26 -1.411 7.146 -14.513 1.00 0.00 C ATOM 0 H LEU B 26 -2.456 4.451 -18.675 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.406 5.925 -17.018 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.084 4.564 -15.462 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.616 5.282 -16.097 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.338 7.425 -15.361 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.663 6.994 -12.964 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.597 5.871 -13.981 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.099 5.322 -13.194 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.524 7.953 -13.789 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.816 6.345 -14.074 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.909 7.524 -15.404 1.00 0.00 H new ATOM 925 N GLY B 28 -0.890 8.611 -20.616 1.00 0.00 N ATOM 926 CA GLY B 28 0.274 8.327 -21.440 1.00 0.00 C ATOM 927 C GLY B 28 1.049 7.124 -20.898 1.00 0.00 C ATOM 928 O GLY B 28 1.992 6.654 -21.531 1.00 0.00 O ATOM 0 HA2 GLY B 28 -0.041 8.130 -22.465 1.00 0.00 H new ATOM 0 HA3 GLY B 28 0.925 9.201 -21.469 1.00 0.00 H new ATOM 932 N TYR B 29 0.621 6.662 -19.732 1.00 0.00 N ATOM 933 CA TYR B 29 1.262 5.522 -19.099 1.00 0.00 C ATOM 934 C TYR B 29 0.470 4.237 -19.349 1.00 0.00 C ATOM 935 O TYR B 29 -0.624 4.063 -18.813 1.00 0.00 O ATOM 936 CB TYR B 29 1.267 5.821 -17.599 1.00 0.00 C ATOM 937 CG TYR B 29 2.310 6.853 -17.172 1.00 0.00 C ATOM 938 CD1 TYR B 29 2.331 8.100 -17.765 1.00 0.00 C ATOM 939 CD2 TYR B 29 3.233 6.538 -16.195 1.00 0.00 C ATOM 940 CE1 TYR B 29 3.315 9.072 -17.364 1.00 0.00 C ATOM 941 CE2 TYR B 29 4.217 7.511 -15.794 1.00 0.00 C ATOM 942 CZ TYR B 29 4.209 8.730 -16.398 1.00 0.00 C ATOM 943 OH TYR B 29 5.138 9.648 -16.018 1.00 0.00 O ATOM 0 H TYR B 29 -0.161 7.056 -19.210 1.00 0.00 H new ATOM 0 HA TYR B 29 2.265 5.375 -19.500 1.00 0.00 H new ATOM 0 HB2 TYR B 29 0.279 6.177 -17.307 1.00 0.00 H new ATOM 0 HB3 TYR B 29 1.445 4.893 -17.055 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.609 8.346 -18.530 1.00 0.00 H new ATOM 0 HD2 TYR B 29 3.218 5.563 -15.731 1.00 0.00 H new ATOM 0 HE1 TYR B 29 3.342 10.051 -17.820 1.00 0.00 H new ATOM 0 HE2 TYR B 29 4.945 7.278 -15.031 1.00 0.00 H new ATOM 0 HH TYR B 29 5.709 9.266 -15.319 1.00 0.00 H new ATOM 952 N LYS B 30 1.052 3.369 -20.165 1.00 0.00 N ATOM 953 CA LYS B 30 0.414 2.106 -20.493 1.00 0.00 C ATOM 954 C LYS B 30 1.355 0.955 -20.132 1.00 0.00 C ATOM 955 O LYS B 30 2.426 0.817 -20.722 1.00 0.00 O ATOM 956 CB LYS B 30 -0.036 2.098 -21.955 1.00 0.00 C ATOM 957 CG LYS B 30 1.169 2.098 -22.900 1.00 0.00 C ATOM 958 CD LYS B 30 0.769 2.574 -24.297 1.00 0.00 C ATOM 959 CE LYS B 30 1.997 3.008 -25.101 1.00 0.00 C ATOM 960 NZ LYS B 30 1.698 4.224 -25.891 1.00 0.00 N ATOM 0 H LYS B 30 1.959 3.516 -20.608 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.493 1.972 -19.904 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.652 1.219 -22.145 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.658 2.971 -22.153 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.949 2.746 -22.501 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.589 1.094 -22.960 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.250 1.773 -24.823 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.070 3.407 -24.215 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.831 3.202 -24.426 1.00 0.00 H new ATOM 0 HE3 LYS B 30 2.306 2.202 -25.766 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 2.542 4.504 -26.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 0.917 4.027 -26.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.425 4.996 -25.250 1.00 0.00 H new ATOM 969 N CYS B 31 0.922 0.161 -19.164 1.00 0.00 N ATOM 970 CA CYS B 31 1.713 -0.973 -18.717 1.00 0.00 C ATOM 971 C CYS B 31 0.948 -2.255 -19.054 1.00 0.00 C ATOM 972 O CYS B 31 -0.268 -2.319 -18.881 1.00 0.00 O ATOM 973 CB CYS B 31 2.043 -0.881 -17.226 1.00 0.00 C ATOM 974 SG CYS B 31 3.013 -2.284 -16.565 1.00 0.00 S ATOM 0 H CYS B 31 0.034 0.280 -18.677 1.00 0.00 H new ATOM 0 HA CYS B 31 2.672 -0.976 -19.234 1.00 0.00 H new ATOM 0 HB2 CYS B 31 2.596 0.041 -17.047 1.00 0.00 H new ATOM 0 HB3 CYS B 31 1.111 -0.807 -16.666 1.00 0.00 H new ATOM 978 N GLU B 32 1.691 -3.243 -19.527 1.00 0.00 N ATOM 979 CA GLU B 32 1.099 -4.520 -19.889 1.00 0.00 C ATOM 980 C GLU B 32 1.774 -5.656 -19.119 1.00 0.00 C ATOM 981 O GLU B 32 2.987 -5.830 -19.199 1.00 0.00 O ATOM 982 CB GLU B 32 1.183 -4.755 -21.400 1.00 0.00 C ATOM 983 CG GLU B 32 -0.122 -5.347 -21.936 1.00 0.00 C ATOM 984 CD GLU B 32 -0.275 -5.071 -23.432 1.00 0.00 C ATOM 985 OE1 GLU B 32 -0.211 -6.006 -24.245 1.00 0.00 O ATOM 986 OE2 GLU B 32 -0.468 -3.833 -23.741 1.00 0.00 O ATOM 0 H GLU B 32 2.700 -3.186 -19.668 1.00 0.00 H new ATOM 0 HA GLU B 32 0.044 -4.499 -19.616 1.00 0.00 H new ATOM 0 HB2 GLU B 32 1.395 -3.814 -21.907 1.00 0.00 H new ATOM 0 HB3 GLU B 32 2.010 -5.429 -21.621 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -0.138 -6.422 -21.757 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.968 -4.921 -21.396 1.00 0.00 H new ATOM 992 N ILE B 33 0.955 -6.400 -18.389 1.00 0.00 N ATOM 993 CA ILE B 33 1.458 -7.515 -17.605 1.00 0.00 C ATOM 994 C ILE B 33 0.569 -8.738 -17.837 1.00 0.00 C ATOM 995 O ILE B 33 -0.643 -8.679 -17.625 1.00 0.00 O ATOM 996 CB ILE B 33 1.586 -7.119 -16.132 1.00 0.00 C ATOM 997 CG1 ILE B 33 0.210 -6.991 -15.476 1.00 0.00 C ATOM 998 CG2 ILE B 33 2.417 -5.843 -15.979 1.00 0.00 C ATOM 999 CD1 ILE B 33 0.342 -6.660 -13.988 1.00 0.00 C ATOM 0 H ILE B 33 -0.052 -6.252 -18.324 1.00 0.00 H new ATOM 0 HA ILE B 33 2.463 -7.785 -17.928 1.00 0.00 H new ATOM 0 HB ILE B 33 2.117 -7.914 -15.609 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.364 -6.211 -15.976 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.343 -7.922 -15.598 1.00 0.00 H new ATOM 0 HG21 ILE B 33 2.493 -5.583 -14.923 1.00 0.00 H new ATOM 0 HG22 ILE B 33 3.415 -6.008 -16.385 1.00 0.00 H new ATOM 0 HG23 ILE B 33 1.936 -5.028 -16.520 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.650 -6.574 -13.545 1.00 0.00 H new ATOM 0 HD12 ILE B 33 0.896 -7.453 -13.487 1.00 0.00 H new ATOM 0 HD13 ILE B 33 0.874 -5.716 -13.871 1.00 0.00 H new ATOM 1010 N LEU B 34 1.202 -9.818 -18.266 1.00 0.00 N ATOM 1011 CA LEU B 34 0.483 -11.054 -18.529 1.00 0.00 C ATOM 1012 C LEU B 34 1.287 -12.233 -17.978 1.00 0.00 C ATOM 1013 O LEU B 34 2.422 -12.465 -18.394 1.00 0.00 O ATOM 1014 CB LEU B 34 0.154 -11.176 -20.019 1.00 0.00 C ATOM 1015 CG LEU B 34 1.346 -11.393 -20.954 1.00 0.00 C ATOM 1016 CD1 LEU B 34 1.402 -12.839 -21.447 1.00 0.00 C ATOM 1017 CD2 LEU B 34 1.323 -10.392 -22.111 1.00 0.00 C ATOM 0 H LEU B 34 2.206 -9.864 -18.439 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.477 -11.054 -18.013 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -0.541 -12.005 -20.150 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -0.367 -10.271 -20.331 1.00 0.00 H new ATOM 0 HG LEU B 34 2.261 -11.212 -20.389 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.258 -12.965 -22.109 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.501 -13.511 -20.594 1.00 0.00 H new ATOM 0 HD13 LEU B 34 0.486 -13.074 -21.989 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.180 -10.567 -22.761 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.403 -10.517 -22.682 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.369 -9.377 -21.715 1.00 0.00 H new ATOM 1028 N ALA B 35 0.666 -12.949 -17.051 1.00 0.00 N ATOM 1029 CA ALA B 35 1.309 -14.099 -16.440 1.00 0.00 C ATOM 1030 C ALA B 35 0.435 -15.336 -16.645 1.00 0.00 C ATOM 1031 O ALA B 35 -0.705 -15.229 -17.095 1.00 0.00 O ATOM 1032 CB ALA B 35 1.572 -13.810 -14.961 1.00 0.00 C ATOM 0 H ALA B 35 -0.275 -12.754 -16.709 1.00 0.00 H new ATOM 0 HA ALA B 35 2.272 -14.295 -16.911 1.00 0.00 H new ATOM 0 HB1 ALA B 35 2.055 -14.673 -14.502 1.00 0.00 H new ATOM 0 HB2 ALA B 35 2.222 -12.940 -14.870 1.00 0.00 H new ATOM 0 HB3 ALA B 35 0.627 -13.611 -14.455 1.00 0.00 H new