USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 412 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 26 GLN : amide:sc= -0.762 X(o=-0.62,f=-0.74) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 0.144 USER MOD Single : A 11 MET CE :methyl 157:sc= -0.37 (180deg=-1.86) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 136:sc= -0.129 (180deg=-0.886) USER MOD Single : A 20 THR OG1 : rot -72:sc= 0.816 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.917 K(o=-0.92,f=-5.6!) USER MOD Single : A 40 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-4.8!) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0225) USER MOD Single : A 55 THR OG1 : rot 31:sc= 0.0737 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 59 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.2!) USER MOD Single : A 60 TYR OH : rot 30:sc= 0.587 USER MOD Single : A 64 ASN : amide:sc= -0.0442 K(o=-0.044,f=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ -149:sc= 1.02 (180deg=0.187) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 5.964 -22.057 13.605 1.00 40.31 N ATOM 135 CA GLU A 9 5.971 -22.623 14.953 1.00 11.44 C ATOM 136 C GLU A 9 6.781 -23.925 15.005 1.00 21.01 C ATOM 137 O GLU A 9 6.252 -25.014 14.770 1.00 65.32 O ATOM 138 CB GLU A 9 4.534 -22.864 15.436 1.00 61.14 C ATOM 139 CG GLU A 9 3.665 -21.605 15.461 1.00 63.33 C ATOM 140 CD GLU A 9 4.240 -20.502 16.340 1.00 65.22 C ATOM 141 OE1 GLU A 9 4.220 -20.651 17.579 1.00 44.35 O ATOM 142 OE2 GLU A 9 4.703 -19.472 15.796 1.00 71.22 O ATOM 0 HA GLU A 9 6.450 -21.905 15.619 1.00 11.44 H new ATOM 0 HB2 GLU A 9 4.064 -23.604 14.789 1.00 61.14 H new ATOM 0 HB3 GLU A 9 4.566 -23.291 16.438 1.00 61.14 H new ATOM 0 HG2 GLU A 9 3.550 -21.229 14.444 1.00 63.33 H new ATOM 0 HG3 GLU A 9 2.669 -21.865 15.819 1.00 63.33 H new ATOM 149 N TRP A 10 8.076 -23.794 15.277 1.00 42.24 N ATOM 150 CA TRP A 10 8.963 -24.950 15.419 1.00 33.32 C ATOM 151 C TRP A 10 8.823 -25.567 16.817 1.00 24.14 C ATOM 152 O TRP A 10 9.060 -24.902 17.827 1.00 43.34 O ATOM 153 CB TRP A 10 10.421 -24.536 15.169 1.00 3.23 C ATOM 154 CG TRP A 10 10.652 -23.934 13.810 1.00 30.12 C ATOM 155 CD1 TRP A 10 10.658 -22.605 13.486 1.00 24.33 C ATOM 156 CD2 TRP A 10 10.907 -24.645 12.595 1.00 50.13 C ATOM 157 NE1 TRP A 10 10.901 -22.450 12.143 1.00 13.43 N ATOM 158 CE2 TRP A 10 11.057 -23.687 11.573 1.00 65.25 C ATOM 159 CE3 TRP A 10 11.025 -26.000 12.271 1.00 14.20 C ATOM 160 CZ2 TRP A 10 11.317 -24.044 10.252 1.00 2.30 C ATOM 161 CZ3 TRP A 10 11.282 -26.353 10.960 1.00 33.13 C ATOM 162 CH2 TRP A 10 11.426 -25.378 9.963 1.00 74.33 C ATOM 0 H TRP A 10 8.539 -22.894 15.405 1.00 42.24 H new ATOM 0 HA TRP A 10 8.677 -25.697 14.679 1.00 33.32 H new ATOM 0 HB2 TRP A 10 10.722 -23.817 15.931 1.00 3.23 H new ATOM 0 HB3 TRP A 10 11.063 -25.410 15.284 1.00 3.23 H new ATOM 0 HD1 TRP A 10 10.496 -21.797 14.183 1.00 24.33 H new ATOM 0 HE1 TRP A 10 10.956 -21.559 11.650 1.00 13.43 H new ATOM 0 HE3 TRP A 10 10.917 -26.758 13.033 1.00 14.20 H new ATOM 0 HZ2 TRP A 10 11.429 -23.295 9.482 1.00 2.30 H new ATOM 0 HZ3 TRP A 10 11.373 -27.397 10.699 1.00 33.13 H new ATOM 0 HH2 TRP A 10 11.627 -25.685 8.947 1.00 74.33 H new ATOM 173 N MET A 11 8.430 -26.835 16.876 1.00 31.40 N ATOM 174 CA MET A 11 8.208 -27.510 18.157 1.00 32.13 C ATOM 175 C MET A 11 8.684 -28.971 18.126 1.00 42.02 C ATOM 176 O MET A 11 8.737 -29.599 17.069 1.00 62.13 O ATOM 177 CB MET A 11 6.720 -27.441 18.522 1.00 32.54 C ATOM 178 CG MET A 11 5.801 -28.049 17.471 1.00 55.42 C ATOM 179 SD MET A 11 4.057 -27.773 17.835 1.00 22.52 S ATOM 180 CE MET A 11 3.966 -25.988 17.713 1.00 23.41 C ATOM 0 H MET A 11 8.258 -27.417 16.056 1.00 31.40 H new ATOM 0 HA MET A 11 8.797 -26.995 18.917 1.00 32.13 H new ATOM 0 HB2 MET A 11 6.564 -27.956 19.470 1.00 32.54 H new ATOM 0 HB3 MET A 11 6.441 -26.399 18.676 1.00 32.54 H new ATOM 0 HG2 MET A 11 6.037 -27.622 16.496 1.00 55.42 H new ATOM 0 HG3 MET A 11 5.990 -29.120 17.404 1.00 55.42 H new ATOM 0 HE1 MET A 11 2.939 -25.689 17.504 1.00 23.41 H new ATOM 0 HE2 MET A 11 4.289 -25.542 18.654 1.00 23.41 H new ATOM 0 HE3 MET A 11 4.614 -25.645 16.907 1.00 23.41 H new ATOM 190 N VAL A 12 9.045 -29.498 19.295 1.00 2.23 N ATOM 191 CA VAL A 12 9.468 -30.899 19.418 1.00 61.53 C ATOM 192 C VAL A 12 8.269 -31.861 19.326 1.00 42.44 C ATOM 193 O VAL A 12 7.116 -31.441 19.439 1.00 22.42 O ATOM 194 CB VAL A 12 10.222 -31.144 20.750 1.00 3.31 C ATOM 195 CG1 VAL A 12 11.489 -30.293 20.818 1.00 13.41 C ATOM 196 CG2 VAL A 12 9.317 -30.863 21.950 1.00 11.33 C ATOM 0 H VAL A 12 9.054 -28.979 20.173 1.00 2.23 H new ATOM 0 HA VAL A 12 10.143 -31.098 18.585 1.00 61.53 H new ATOM 0 HB VAL A 12 10.513 -32.194 20.785 1.00 3.31 H new ATOM 0 HG11 VAL A 12 12.003 -30.480 21.761 1.00 13.41 H new ATOM 0 HG12 VAL A 12 12.147 -30.553 19.988 1.00 13.41 H new ATOM 0 HG13 VAL A 12 11.223 -29.238 20.753 1.00 13.41 H new ATOM 0 HG21 VAL A 12 9.870 -31.042 22.872 1.00 11.33 H new ATOM 0 HG22 VAL A 12 8.986 -29.825 21.921 1.00 11.33 H new ATOM 0 HG23 VAL A 12 8.449 -31.521 21.913 1.00 11.33 H new ATOM 206 N GLU A 13 8.553 -33.151 19.145 1.00 75.24 N ATOM 207 CA GLU A 13 7.508 -34.178 18.983 1.00 21.22 C ATOM 208 C GLU A 13 6.454 -34.119 20.107 1.00 34.42 C ATOM 209 O GLU A 13 5.247 -34.169 19.845 1.00 14.23 O ATOM 210 CB GLU A 13 8.160 -35.569 18.944 1.00 40.13 C ATOM 211 CG GLU A 13 7.174 -36.726 18.777 1.00 61.31 C ATOM 212 CD GLU A 13 7.857 -38.083 18.851 1.00 71.12 C ATOM 213 OE1 GLU A 13 8.237 -38.496 19.971 1.00 43.22 O ATOM 214 OE2 GLU A 13 8.041 -38.728 17.797 1.00 72.30 O ATOM 0 H GLU A 13 9.504 -33.518 19.106 1.00 75.24 H new ATOM 0 HA GLU A 13 6.989 -33.982 18.045 1.00 21.22 H new ATOM 0 HB2 GLU A 13 8.877 -35.598 18.123 1.00 40.13 H new ATOM 0 HB3 GLU A 13 8.724 -35.718 19.865 1.00 40.13 H new ATOM 0 HG2 GLU A 13 6.410 -36.664 19.552 1.00 61.31 H new ATOM 0 HG3 GLU A 13 6.664 -36.630 17.818 1.00 61.31 H new ATOM 221 N LYS A 14 6.918 -33.995 21.353 1.00 62.42 N ATOM 222 CA LYS A 14 6.026 -33.948 22.522 1.00 4.13 C ATOM 223 C LYS A 14 5.032 -32.779 22.413 1.00 43.22 C ATOM 224 O LYS A 14 3.829 -32.959 22.576 1.00 32.43 O ATOM 225 CB LYS A 14 6.859 -33.831 23.817 1.00 52.11 C ATOM 226 CG LYS A 14 6.086 -34.115 25.111 1.00 41.14 C ATOM 227 CD LYS A 14 5.272 -32.911 25.582 1.00 0.22 C ATOM 228 CE LYS A 14 6.163 -31.774 26.066 1.00 43.52 C ATOM 229 NZ LYS A 14 5.369 -30.588 26.481 1.00 61.24 N ATOM 0 H LYS A 14 7.909 -33.925 21.582 1.00 62.42 H new ATOM 0 HA LYS A 14 5.451 -34.873 22.553 1.00 4.13 H new ATOM 0 HB2 LYS A 14 7.700 -34.522 23.754 1.00 52.11 H new ATOM 0 HB3 LYS A 14 7.276 -32.826 23.874 1.00 52.11 H new ATOM 0 HG2 LYS A 14 5.418 -34.962 24.953 1.00 41.14 H new ATOM 0 HG3 LYS A 14 6.788 -34.404 25.894 1.00 41.14 H new ATOM 0 HD2 LYS A 14 4.643 -32.556 24.765 1.00 0.22 H new ATOM 0 HD3 LYS A 14 4.605 -33.217 26.388 1.00 0.22 H new ATOM 0 HE2 LYS A 14 6.768 -32.118 26.905 1.00 43.52 H new ATOM 0 HE3 LYS A 14 6.853 -31.490 25.271 1.00 43.52 H new ATOM 0 HZ1 LYS A 14 6.011 -29.836 26.804 1.00 61.24 H new ATOM 0 HZ2 LYS A 14 4.811 -30.244 25.674 1.00 61.24 H new ATOM 0 HZ3 LYS A 14 4.729 -30.853 27.256 1.00 61.24 H new ATOM 243 N ALA A 15 5.543 -31.581 22.143 1.00 55.41 N ATOM 244 CA ALA A 15 4.690 -30.396 22.000 1.00 12.15 C ATOM 245 C ALA A 15 3.795 -30.495 20.753 1.00 14.55 C ATOM 246 O ALA A 15 2.627 -30.100 20.775 1.00 2.13 O ATOM 247 CB ALA A 15 5.543 -29.132 21.940 1.00 34.23 C ATOM 0 H ALA A 15 6.539 -31.401 22.018 1.00 55.41 H new ATOM 0 HA ALA A 15 4.041 -30.345 22.874 1.00 12.15 H new ATOM 0 HB1 ALA A 15 4.896 -28.261 21.834 1.00 34.23 H new ATOM 0 HB2 ALA A 15 6.125 -29.042 22.857 1.00 34.23 H new ATOM 0 HB3 ALA A 15 6.218 -29.189 21.086 1.00 34.23 H new ATOM 253 N LEU A 16 4.353 -31.046 19.677 1.00 54.25 N ATOM 254 CA LEU A 16 3.649 -31.165 18.397 1.00 72.30 C ATOM 255 C LEU A 16 2.378 -32.019 18.533 1.00 12.31 C ATOM 256 O LEU A 16 1.301 -31.620 18.076 1.00 15.30 O ATOM 257 CB LEU A 16 4.605 -31.753 17.337 1.00 52.24 C ATOM 258 CG LEU A 16 4.110 -31.740 15.875 1.00 1.31 C ATOM 259 CD1 LEU A 16 3.135 -32.885 15.600 1.00 40.15 C ATOM 260 CD2 LEU A 16 3.471 -30.394 15.535 1.00 43.14 C ATOM 0 H LEU A 16 5.301 -31.422 19.665 1.00 54.25 H new ATOM 0 HA LEU A 16 3.332 -30.172 18.078 1.00 72.30 H new ATOM 0 HB2 LEU A 16 5.545 -31.202 17.383 1.00 52.24 H new ATOM 0 HB3 LEU A 16 4.826 -32.784 17.612 1.00 52.24 H new ATOM 0 HG LEU A 16 4.978 -31.886 15.232 1.00 1.31 H new ATOM 0 HD11 LEU A 16 2.808 -32.843 14.561 1.00 40.15 H new ATOM 0 HD12 LEU A 16 3.631 -33.838 15.786 1.00 40.15 H new ATOM 0 HD13 LEU A 16 2.270 -32.792 16.256 1.00 40.15 H new ATOM 0 HD21 LEU A 16 3.129 -30.405 14.500 1.00 43.14 H new ATOM 0 HD22 LEU A 16 2.623 -30.217 16.196 1.00 43.14 H new ATOM 0 HD23 LEU A 16 4.205 -29.599 15.666 1.00 43.14 H new ATOM 272 N MET A 17 2.498 -33.189 19.160 1.00 11.11 N ATOM 273 CA MET A 17 1.345 -34.083 19.334 1.00 32.32 C ATOM 274 C MET A 17 0.215 -33.400 20.125 1.00 3.22 C ATOM 275 O MET A 17 -0.965 -33.652 19.887 1.00 40.44 O ATOM 276 CB MET A 17 1.767 -35.390 20.024 1.00 44.33 C ATOM 277 CG MET A 17 2.260 -35.226 21.453 1.00 34.42 C ATOM 278 SD MET A 17 2.667 -36.804 22.226 1.00 41.23 S ATOM 279 CE MET A 17 4.031 -37.353 21.196 1.00 53.03 C ATOM 0 H MET A 17 3.371 -33.541 19.554 1.00 11.11 H new ATOM 0 HA MET A 17 0.963 -34.320 18.341 1.00 32.32 H new ATOM 0 HB2 MET A 17 0.919 -36.075 20.023 1.00 44.33 H new ATOM 0 HB3 MET A 17 2.555 -35.858 19.434 1.00 44.33 H new ATOM 0 HG2 MET A 17 3.141 -34.584 21.459 1.00 34.42 H new ATOM 0 HG3 MET A 17 1.494 -34.722 22.043 1.00 34.42 H new ATOM 0 HE1 MET A 17 4.827 -37.748 21.827 1.00 53.03 H new ATOM 0 HE2 MET A 17 3.684 -38.133 20.519 1.00 53.03 H new ATOM 0 HE3 MET A 17 4.411 -36.512 20.616 1.00 53.03 H new ATOM 289 N VAL A 18 0.587 -32.519 21.051 1.00 45.03 N ATOM 290 CA VAL A 18 -0.388 -31.767 21.846 1.00 62.14 C ATOM 291 C VAL A 18 -1.064 -30.668 21.008 1.00 34.34 C ATOM 292 O VAL A 18 -2.261 -30.409 21.144 1.00 32.10 O ATOM 293 CB VAL A 18 0.286 -31.129 23.090 1.00 65.51 C ATOM 294 CG1 VAL A 18 -0.734 -30.388 23.953 1.00 25.41 C ATOM 295 CG2 VAL A 18 1.020 -32.191 23.910 1.00 73.24 C ATOM 0 H VAL A 18 1.560 -32.306 21.272 1.00 45.03 H new ATOM 0 HA VAL A 18 -1.150 -32.474 22.176 1.00 62.14 H new ATOM 0 HB VAL A 18 1.016 -30.400 22.738 1.00 65.51 H new ATOM 0 HG11 VAL A 18 -0.232 -29.952 24.817 1.00 25.41 H new ATOM 0 HG12 VAL A 18 -1.200 -29.596 23.366 1.00 25.41 H new ATOM 0 HG13 VAL A 18 -1.499 -31.086 24.293 1.00 25.41 H new ATOM 0 HG21 VAL A 18 1.486 -31.723 24.778 1.00 73.24 H new ATOM 0 HG22 VAL A 18 0.310 -32.948 24.243 1.00 73.24 H new ATOM 0 HG23 VAL A 18 1.788 -32.659 23.294 1.00 73.24 H new ATOM 305 N ARG A 19 -0.290 -30.034 20.128 1.00 51.15 N ATOM 306 CA ARG A 19 -0.801 -28.952 19.275 1.00 75.21 C ATOM 307 C ARG A 19 -1.650 -29.492 18.110 1.00 14.34 C ATOM 308 O ARG A 19 -2.532 -28.798 17.598 1.00 70.43 O ATOM 309 CB ARG A 19 0.367 -28.118 18.727 1.00 4.21 C ATOM 310 CG ARG A 19 1.227 -27.474 19.812 1.00 12.30 C ATOM 311 CD ARG A 19 0.452 -26.441 20.621 1.00 75.41 C ATOM 312 NE ARG A 19 1.243 -25.911 21.729 1.00 41.44 N ATOM 313 CZ ARG A 19 0.930 -24.841 22.408 1.00 21.02 C ATOM 314 NH1 ARG A 19 -0.099 -24.129 22.083 1.00 51.02 N ATOM 315 NH2 ARG A 19 1.665 -24.470 23.402 1.00 42.33 N ATOM 0 H ARG A 19 0.697 -30.249 19.984 1.00 51.15 H new ATOM 0 HA ARG A 19 -1.444 -28.323 19.891 1.00 75.21 H new ATOM 0 HB2 ARG A 19 0.998 -28.756 18.108 1.00 4.21 H new ATOM 0 HB3 ARG A 19 -0.030 -27.336 18.079 1.00 4.21 H new ATOM 0 HG2 ARG A 19 1.605 -28.247 20.480 1.00 12.30 H new ATOM 0 HG3 ARG A 19 2.093 -26.998 19.352 1.00 12.30 H new ATOM 0 HD2 ARG A 19 0.148 -25.623 19.968 1.00 75.41 H new ATOM 0 HD3 ARG A 19 -0.460 -26.894 21.010 1.00 75.41 H new ATOM 0 HE ARG A 19 2.094 -26.409 21.989 1.00 41.44 H new ATOM 0 HH11 ARG A 19 -0.677 -24.401 21.288 1.00 51.02 H new ATOM 0 HH12 ARG A 19 -0.333 -23.295 22.622 1.00 51.02 H new ATOM 0 HH21 ARG A 19 2.490 -25.013 23.657 1.00 42.33 H new ATOM 0 HH22 ARG A 19 1.421 -23.634 23.933 1.00 42.33 H new ATOM 329 N THR A 20 -1.378 -30.725 17.689 1.00 32.30 N ATOM 330 CA THR A 20 -2.109 -31.345 16.571 1.00 22.22 C ATOM 331 C THR A 20 -3.229 -32.282 17.054 1.00 62.21 C ATOM 332 O THR A 20 -4.257 -32.428 16.388 1.00 72.32 O ATOM 333 CB THR A 20 -1.159 -32.161 15.664 1.00 73.04 C ATOM 334 OG1 THR A 20 -0.480 -33.163 16.440 1.00 32.50 O ATOM 335 CG2 THR A 20 -0.135 -31.265 14.975 1.00 64.44 C ATOM 0 H THR A 20 -0.658 -31.319 18.101 1.00 32.30 H new ATOM 0 HA THR A 20 -2.550 -30.520 16.011 1.00 22.22 H new ATOM 0 HB THR A 20 -1.764 -32.639 14.893 1.00 73.04 H new ATOM 0 HG1 THR A 20 0.185 -32.734 17.018 1.00 32.50 H new ATOM 0 HG21 THR A 20 0.515 -31.873 14.346 1.00 64.44 H new ATOM 0 HG22 THR A 20 -0.652 -30.529 14.359 1.00 64.44 H new ATOM 0 HG23 THR A 20 0.464 -30.752 15.727 1.00 64.44 H new ATOM 343 N GLY A 21 -3.032 -32.906 18.215 1.00 43.23 N ATOM 344 CA GLY A 21 -4.001 -33.875 18.731 1.00 4.25 C ATOM 345 C GLY A 21 -3.670 -35.320 18.346 1.00 14.30 C ATOM 346 O GLY A 21 -4.457 -36.237 18.598 1.00 14.11 O ATOM 0 H GLY A 21 -2.218 -32.761 18.812 1.00 43.23 H new ATOM 0 HA2 GLY A 21 -4.042 -33.795 19.817 1.00 4.25 H new ATOM 0 HA3 GLY A 21 -4.993 -33.623 18.355 1.00 4.25 H new ATOM 350 N LEU A 22 -2.506 -35.523 17.729 1.00 13.32 N ATOM 351 CA LEU A 22 -2.065 -36.863 17.303 1.00 14.21 C ATOM 352 C LEU A 22 -1.344 -37.616 18.436 1.00 65.14 C ATOM 353 O LEU A 22 -0.872 -37.015 19.402 1.00 1.40 O ATOM 354 CB LEU A 22 -1.135 -36.761 16.077 1.00 75.15 C ATOM 355 CG LEU A 22 -1.830 -36.551 14.717 1.00 23.32 C ATOM 356 CD1 LEU A 22 -2.709 -35.305 14.721 1.00 13.40 C ATOM 357 CD2 LEU A 22 -0.793 -36.474 13.597 1.00 33.23 C ATOM 0 H LEU A 22 -1.845 -34.778 17.510 1.00 13.32 H new ATOM 0 HA LEU A 22 -2.959 -37.426 17.037 1.00 14.21 H new ATOM 0 HB2 LEU A 22 -0.442 -35.936 16.239 1.00 75.15 H new ATOM 0 HB3 LEU A 22 -0.539 -37.672 16.021 1.00 75.15 H new ATOM 0 HG LEU A 22 -2.479 -37.409 14.539 1.00 23.32 H new ATOM 0 HD11 LEU A 22 -3.182 -35.190 13.746 1.00 13.40 H new ATOM 0 HD12 LEU A 22 -3.477 -35.404 15.488 1.00 13.40 H new ATOM 0 HD13 LEU A 22 -2.097 -34.428 14.933 1.00 13.40 H new ATOM 0 HD21 LEU A 22 -1.298 -36.326 12.643 1.00 33.23 H new ATOM 0 HD22 LEU A 22 -0.117 -35.639 13.783 1.00 33.23 H new ATOM 0 HD23 LEU A 22 -0.223 -37.402 13.565 1.00 33.23 H new ATOM 369 N GLY A 23 -1.264 -38.941 18.308 1.00 71.11 N ATOM 370 CA GLY A 23 -0.511 -39.750 19.261 1.00 41.12 C ATOM 371 C GLY A 23 0.865 -40.126 18.728 1.00 21.45 C ATOM 372 O GLY A 23 1.076 -40.146 17.513 1.00 34.12 O ATOM 0 H GLY A 23 -1.709 -39.472 17.559 1.00 71.11 H new ATOM 0 HA2 GLY A 23 -0.400 -39.200 20.195 1.00 41.12 H new ATOM 0 HA3 GLY A 23 -1.071 -40.657 19.489 1.00 41.12 H new ATOM 376 N ALA A 24 1.800 -40.429 19.625 1.00 61.24 N ATOM 377 CA ALA A 24 3.176 -40.773 19.234 1.00 32.31 C ATOM 378 C ALA A 24 3.220 -41.865 18.149 1.00 53.13 C ATOM 379 O ALA A 24 3.949 -41.739 17.162 1.00 74.42 O ATOM 380 CB ALA A 24 3.980 -41.207 20.456 1.00 63.13 C ATOM 0 H ALA A 24 1.635 -40.445 20.631 1.00 61.24 H new ATOM 0 HA ALA A 24 3.624 -39.876 18.807 1.00 32.31 H new ATOM 0 HB1 ALA A 24 4.996 -41.459 20.152 1.00 63.13 H new ATOM 0 HB2 ALA A 24 4.009 -40.393 21.180 1.00 63.13 H new ATOM 0 HB3 ALA A 24 3.510 -42.080 20.909 1.00 63.13 H new ATOM 386 N ARG A 25 2.416 -42.919 18.322 1.00 72.12 N ATOM 387 CA ARG A 25 2.394 -44.040 17.367 1.00 51.31 C ATOM 388 C ARG A 25 1.880 -43.600 15.984 1.00 71.11 C ATOM 389 O ARG A 25 2.149 -44.251 14.973 1.00 4.53 O ATOM 390 CB ARG A 25 1.543 -45.209 17.903 1.00 34.22 C ATOM 391 CG ARG A 25 0.025 -44.997 17.846 1.00 2.53 C ATOM 392 CD ARG A 25 -0.460 -43.896 18.786 1.00 52.14 C ATOM 393 NE ARG A 25 -0.072 -44.139 20.176 1.00 73.43 N ATOM 394 CZ ARG A 25 -0.681 -43.632 21.216 1.00 0.34 C ATOM 395 NH1 ARG A 25 -1.753 -42.924 21.081 1.00 40.23 N ATOM 396 NH2 ARG A 25 -0.228 -43.865 22.401 1.00 44.22 N ATOM 0 H ARG A 25 1.774 -43.023 19.108 1.00 72.12 H new ATOM 0 HA ARG A 25 3.423 -44.381 17.252 1.00 51.31 H new ATOM 0 HB2 ARG A 25 1.789 -46.106 17.335 1.00 34.22 H new ATOM 0 HB3 ARG A 25 1.828 -45.399 18.938 1.00 34.22 H new ATOM 0 HG2 ARG A 25 -0.263 -44.748 16.825 1.00 2.53 H new ATOM 0 HG3 ARG A 25 -0.476 -45.931 18.100 1.00 2.53 H new ATOM 0 HD2 ARG A 25 -0.054 -42.939 18.460 1.00 52.14 H new ATOM 0 HD3 ARG A 25 -1.545 -43.820 18.723 1.00 52.14 H new ATOM 0 HE ARG A 25 0.730 -44.746 20.345 1.00 73.43 H new ATOM 0 HH11 ARG A 25 -2.137 -42.753 20.152 1.00 40.23 H new ATOM 0 HH12 ARG A 25 -2.215 -42.536 21.904 1.00 40.23 H new ATOM 0 HH21 ARG A 25 0.603 -44.443 22.525 1.00 44.22 H new ATOM 0 HH22 ARG A 25 -0.701 -43.471 23.214 1.00 44.22 H new ATOM 410 N GLN A 26 1.141 -42.494 15.948 1.00 41.44 N ATOM 411 CA GLN A 26 0.622 -41.954 14.691 1.00 33.42 C ATOM 412 C GLN A 26 1.674 -41.072 14.004 1.00 14.41 C ATOM 413 O GLN A 26 1.907 -41.177 12.798 1.00 75.15 O ATOM 414 CB GLN A 26 -0.653 -41.144 14.945 1.00 14.22 C ATOM 415 CG GLN A 26 -1.446 -40.842 13.678 1.00 44.44 C ATOM 416 CD GLN A 26 -2.643 -39.947 13.934 1.00 41.54 C ATOM 417 OE1 GLN A 26 -3.201 -39.931 15.023 1.00 71.34 O ATOM 418 NE2 GLN A 26 -3.064 -39.213 12.924 1.00 4.25 N ATOM 0 H GLN A 26 0.887 -41.953 16.775 1.00 41.44 H new ATOM 0 HA GLN A 26 0.386 -42.790 14.033 1.00 33.42 H new ATOM 0 HB2 GLN A 26 -1.289 -41.692 15.640 1.00 14.22 H new ATOM 0 HB3 GLN A 26 -0.386 -40.205 15.430 1.00 14.22 H new ATOM 0 HG2 GLN A 26 -0.790 -40.365 12.949 1.00 44.44 H new ATOM 0 HG3 GLN A 26 -1.786 -41.778 13.236 1.00 44.44 H new ATOM 0 HE21 GLN A 26 -2.576 -39.249 12.029 1.00 4.25 H new ATOM 0 HE22 GLN A 26 -3.878 -38.608 13.037 1.00 4.25 H new ATOM 427 N ILE A 27 2.313 -40.203 14.786 1.00 14.05 N ATOM 428 CA ILE A 27 3.358 -39.319 14.260 1.00 3.33 C ATOM 429 C ILE A 27 4.529 -40.130 13.692 1.00 15.14 C ATOM 430 O ILE A 27 4.966 -39.893 12.565 1.00 73.10 O ATOM 431 CB ILE A 27 3.894 -38.341 15.342 1.00 45.31 C ATOM 432 CG1 ILE A 27 2.736 -37.549 15.969 1.00 64.42 C ATOM 433 CG2 ILE A 27 4.931 -37.386 14.744 1.00 63.22 C ATOM 434 CD1 ILE A 27 3.174 -36.583 17.050 1.00 62.24 C ATOM 0 H ILE A 27 2.128 -40.091 15.783 1.00 14.05 H new ATOM 0 HA ILE A 27 2.897 -38.735 13.463 1.00 3.33 H new ATOM 0 HB ILE A 27 4.379 -38.927 16.123 1.00 45.31 H new ATOM 0 HG12 ILE A 27 2.221 -36.994 15.185 1.00 64.42 H new ATOM 0 HG13 ILE A 27 2.015 -38.249 16.390 1.00 64.42 H new ATOM 0 HG21 ILE A 27 5.293 -36.710 15.519 1.00 63.22 H new ATOM 0 HG22 ILE A 27 5.767 -37.960 14.344 1.00 63.22 H new ATOM 0 HG23 ILE A 27 4.473 -36.807 13.943 1.00 63.22 H new ATOM 0 HD11 ILE A 27 2.303 -36.060 17.446 1.00 62.24 H new ATOM 0 HD12 ILE A 27 3.663 -37.134 17.854 1.00 62.24 H new ATOM 0 HD13 ILE A 27 3.872 -35.859 16.630 1.00 62.24 H new ATOM 446 N GLU A 28 5.026 -41.098 14.467 1.00 61.45 N ATOM 447 CA GLU A 28 6.152 -41.932 14.027 1.00 34.43 C ATOM 448 C GLU A 28 5.844 -42.654 12.708 1.00 43.14 C ATOM 449 O GLU A 28 6.746 -42.923 11.914 1.00 21.34 O ATOM 450 CB GLU A 28 6.536 -42.954 15.102 1.00 4.12 C ATOM 451 CG GLU A 28 5.498 -44.045 15.334 1.00 10.14 C ATOM 452 CD GLU A 28 6.026 -45.156 16.226 1.00 44.34 C ATOM 453 OE1 GLU A 28 6.802 -45.998 15.729 1.00 12.22 O ATOM 454 OE2 GLU A 28 5.679 -45.189 17.423 1.00 13.41 O ATOM 0 H GLU A 28 4.671 -41.324 15.396 1.00 61.45 H new ATOM 0 HA GLU A 28 6.995 -41.262 13.860 1.00 34.43 H new ATOM 0 HB2 GLU A 28 7.480 -43.421 14.821 1.00 4.12 H new ATOM 0 HB3 GLU A 28 6.708 -42.428 16.041 1.00 4.12 H new ATOM 0 HG2 GLU A 28 4.609 -43.608 15.788 1.00 10.14 H new ATOM 0 HG3 GLU A 28 5.193 -44.464 14.375 1.00 10.14 H new ATOM 461 N SER A 29 4.567 -42.957 12.481 1.00 73.42 N ATOM 462 CA SER A 29 4.120 -43.556 11.217 1.00 21.40 C ATOM 463 C SER A 29 4.390 -42.613 10.039 1.00 22.21 C ATOM 464 O SER A 29 4.952 -43.012 9.019 1.00 72.45 O ATOM 465 CB SER A 29 2.623 -43.881 11.285 1.00 1.23 C ATOM 466 OG SER A 29 2.149 -44.419 10.061 1.00 52.23 O ATOM 0 H SER A 29 3.819 -42.798 13.156 1.00 73.42 H new ATOM 0 HA SER A 29 4.683 -44.477 11.062 1.00 21.40 H new ATOM 0 HB2 SER A 29 2.441 -44.592 12.090 1.00 1.23 H new ATOM 0 HB3 SER A 29 2.064 -42.977 11.526 1.00 1.23 H new ATOM 0 HG SER A 29 1.192 -44.616 10.139 1.00 52.23 H new ATOM 472 N TYR A 30 4.003 -41.348 10.202 1.00 23.42 N ATOM 473 CA TYR A 30 4.188 -40.335 9.156 1.00 12.10 C ATOM 474 C TYR A 30 5.667 -39.948 8.992 1.00 73.02 C ATOM 475 O TYR A 30 6.112 -39.613 7.892 1.00 30.41 O ATOM 476 CB TYR A 30 3.347 -39.091 9.470 1.00 61.04 C ATOM 477 CG TYR A 30 1.868 -39.385 9.637 1.00 74.41 C ATOM 478 CD1 TYR A 30 1.224 -40.307 8.817 1.00 64.05 C ATOM 479 CD2 TYR A 30 1.117 -38.747 10.619 1.00 52.21 C ATOM 480 CE1 TYR A 30 -0.121 -40.580 8.967 1.00 5.15 C ATOM 481 CE2 TYR A 30 -0.228 -39.017 10.775 1.00 64.41 C ATOM 482 CZ TYR A 30 -0.842 -39.933 9.947 1.00 54.20 C ATOM 483 OH TYR A 30 -2.183 -40.206 10.100 1.00 22.43 O ATOM 0 H TYR A 30 3.558 -40.997 11.050 1.00 23.42 H new ATOM 0 HA TYR A 30 3.853 -40.768 8.213 1.00 12.10 H new ATOM 0 HB2 TYR A 30 3.723 -38.630 10.383 1.00 61.04 H new ATOM 0 HB3 TYR A 30 3.476 -38.363 8.669 1.00 61.04 H new ATOM 0 HD1 TYR A 30 1.787 -40.818 8.050 1.00 64.05 H new ATOM 0 HD2 TYR A 30 1.594 -38.029 11.270 1.00 52.21 H new ATOM 0 HE1 TYR A 30 -0.605 -41.296 8.320 1.00 5.15 H new ATOM 0 HE2 TYR A 30 -0.797 -38.513 11.542 1.00 64.41 H new ATOM 0 HH TYR A 30 -2.362 -41.131 9.829 1.00 22.43 H new ATOM 493 N ARG A 31 6.424 -40.010 10.088 1.00 3.15 N ATOM 494 CA ARG A 31 7.858 -39.677 10.069 1.00 54.15 C ATOM 495 C ARG A 31 8.654 -40.599 9.125 1.00 25.15 C ATOM 496 O ARG A 31 9.760 -40.262 8.702 1.00 3.55 O ATOM 497 CB ARG A 31 8.442 -39.757 11.492 1.00 2.23 C ATOM 498 CG ARG A 31 7.812 -38.771 12.478 1.00 12.20 C ATOM 499 CD ARG A 31 8.281 -38.998 13.917 1.00 12.23 C ATOM 500 NE ARG A 31 9.649 -38.547 14.150 1.00 53.22 N ATOM 501 CZ ARG A 31 10.694 -39.325 14.205 1.00 34.41 C ATOM 502 NH1 ARG A 31 10.595 -40.592 13.962 1.00 71.03 N ATOM 503 NH2 ARG A 31 11.844 -38.821 14.497 1.00 44.21 N ATOM 0 H ARG A 31 6.072 -40.288 11.004 1.00 3.15 H new ATOM 0 HA ARG A 31 7.949 -38.658 9.692 1.00 54.15 H new ATOM 0 HB2 ARG A 31 8.309 -40.770 11.872 1.00 2.23 H new ATOM 0 HB3 ARG A 31 9.515 -39.572 11.444 1.00 2.23 H new ATOM 0 HG2 ARG A 31 8.058 -37.753 12.176 1.00 12.20 H new ATOM 0 HG3 ARG A 31 6.727 -38.863 12.435 1.00 12.20 H new ATOM 0 HD2 ARG A 31 7.611 -38.474 14.598 1.00 12.23 H new ATOM 0 HD3 ARG A 31 8.209 -40.060 14.153 1.00 12.23 H new ATOM 0 HE ARG A 31 9.799 -37.547 14.280 1.00 53.22 H new ATOM 0 HH11 ARG A 31 9.690 -40.996 13.723 1.00 71.03 H new ATOM 0 HH12 ARG A 31 11.422 -41.187 14.009 1.00 71.03 H new ATOM 0 HH21 ARG A 31 11.931 -37.822 14.683 1.00 44.21 H new ATOM 0 HH22 ARG A 31 12.667 -39.421 14.542 1.00 44.21 H new ATOM 517 N GLN A 32 8.081 -41.756 8.791 1.00 41.50 N ATOM 518 CA GLN A 32 8.759 -42.746 7.941 1.00 23.03 C ATOM 519 C GLN A 32 8.658 -42.404 6.442 1.00 24.43 C ATOM 520 O GLN A 32 9.396 -42.961 5.623 1.00 1.42 O ATOM 521 CB GLN A 32 8.170 -44.145 8.190 1.00 34.14 C ATOM 522 CG GLN A 32 8.248 -44.610 9.647 1.00 14.35 C ATOM 523 CD GLN A 32 9.670 -44.855 10.134 1.00 22.41 C ATOM 524 OE1 GLN A 32 10.624 -44.238 9.674 1.00 72.45 O ATOM 525 NE2 GLN A 32 9.825 -45.753 11.083 1.00 0.30 N ATOM 0 H GLN A 32 7.148 -42.034 9.095 1.00 41.50 H new ATOM 0 HA GLN A 32 9.815 -42.729 8.211 1.00 23.03 H new ATOM 0 HB2 GLN A 32 7.127 -44.149 7.875 1.00 34.14 H new ATOM 0 HB3 GLN A 32 8.695 -44.865 7.562 1.00 34.14 H new ATOM 0 HG2 GLN A 32 7.779 -43.861 10.284 1.00 14.35 H new ATOM 0 HG3 GLN A 32 7.672 -45.529 9.758 1.00 14.35 H new ATOM 0 HE21 GLN A 32 9.015 -46.253 11.449 1.00 0.30 H new ATOM 0 HE22 GLN A 32 10.755 -45.949 11.453 1.00 0.30 H new ATOM 534 N GLY A 33 7.757 -41.487 6.079 1.00 64.34 N ATOM 535 CA GLY A 33 7.548 -41.174 4.663 1.00 23.14 C ATOM 536 C GLY A 33 6.921 -39.802 4.407 1.00 70.41 C ATOM 537 O GLY A 33 7.400 -39.042 3.563 1.00 52.41 O ATOM 0 H GLY A 33 7.173 -40.960 6.728 1.00 64.34 H new ATOM 0 HA2 GLY A 33 8.507 -41.224 4.147 1.00 23.14 H new ATOM 0 HA3 GLY A 33 6.909 -41.940 4.224 1.00 23.14 H new ATOM 541 N ALA A 34 5.842 -39.485 5.118 1.00 75.05 N ATOM 542 CA ALA A 34 5.124 -38.218 4.914 1.00 54.12 C ATOM 543 C ALA A 34 5.966 -37.001 5.340 1.00 0.42 C ATOM 544 O ALA A 34 5.899 -35.933 4.726 1.00 11.03 O ATOM 545 CB ALA A 34 3.799 -38.238 5.667 1.00 60.02 C ATOM 0 H ALA A 34 5.442 -40.083 5.841 1.00 75.05 H new ATOM 0 HA ALA A 34 4.929 -38.119 3.846 1.00 54.12 H new ATOM 0 HB1 ALA A 34 3.276 -37.295 5.509 1.00 60.02 H new ATOM 0 HB2 ALA A 34 3.184 -39.060 5.300 1.00 60.02 H new ATOM 0 HB3 ALA A 34 3.988 -38.374 6.732 1.00 60.02 H new ATOM 551 N TRP A 35 6.746 -37.162 6.408 1.00 54.13 N ATOM 552 CA TRP A 35 7.644 -36.102 6.880 1.00 65.52 C ATOM 553 C TRP A 35 8.867 -35.966 5.955 1.00 51.11 C ATOM 554 O TRP A 35 9.772 -36.797 5.974 1.00 32.40 O ATOM 555 CB TRP A 35 8.102 -36.387 8.321 1.00 62.10 C ATOM 556 CG TRP A 35 7.132 -35.987 9.413 1.00 34.33 C ATOM 557 CD1 TRP A 35 7.467 -35.741 10.712 1.00 62.43 C ATOM 558 CD2 TRP A 35 5.705 -35.779 9.329 1.00 45.40 C ATOM 559 NE1 TRP A 35 6.355 -35.407 11.441 1.00 21.43 N ATOM 560 CE2 TRP A 35 5.263 -35.420 10.619 1.00 32.00 C ATOM 561 CE3 TRP A 35 4.757 -35.859 8.303 1.00 71.23 C ATOM 562 CZ2 TRP A 35 3.929 -35.147 10.904 1.00 62.45 C ATOM 563 CZ3 TRP A 35 3.433 -35.587 8.590 1.00 43.04 C ATOM 564 CH2 TRP A 35 3.030 -35.234 9.880 1.00 64.33 C ATOM 0 H TRP A 35 6.776 -38.016 6.965 1.00 54.13 H new ATOM 0 HA TRP A 35 7.093 -35.162 6.864 1.00 65.52 H new ATOM 0 HB2 TRP A 35 8.304 -37.454 8.414 1.00 62.10 H new ATOM 0 HB3 TRP A 35 9.045 -35.868 8.491 1.00 62.10 H new ATOM 0 HD1 TRP A 35 8.469 -35.801 11.111 1.00 62.43 H new ATOM 0 HE1 TRP A 35 6.344 -35.185 12.436 1.00 21.43 H new ATOM 0 HE3 TRP A 35 5.056 -36.129 7.301 1.00 71.23 H new ATOM 0 HZ2 TRP A 35 3.615 -34.876 11.901 1.00 62.45 H new ATOM 0 HZ3 TRP A 35 2.696 -35.648 7.803 1.00 43.04 H new ATOM 0 HH2 TRP A 35 1.988 -35.026 10.071 1.00 64.33 H new ATOM 575 N ILE A 36 8.873 -34.916 5.135 1.00 2.15 N ATOM 576 CA ILE A 36 9.983 -34.652 4.212 1.00 30.34 C ATOM 577 C ILE A 36 11.102 -33.836 4.886 1.00 24.22 C ATOM 578 O ILE A 36 10.829 -32.841 5.572 1.00 54.53 O ATOM 579 CB ILE A 36 9.488 -33.885 2.960 1.00 34.42 C ATOM 580 CG1 ILE A 36 8.322 -34.636 2.296 1.00 61.13 C ATOM 581 CG2 ILE A 36 10.632 -33.678 1.967 1.00 51.21 C ATOM 582 CD1 ILE A 36 7.711 -33.900 1.119 1.00 54.52 C ATOM 0 H ILE A 36 8.120 -34.230 5.089 1.00 2.15 H new ATOM 0 HA ILE A 36 10.384 -35.621 3.915 1.00 30.34 H new ATOM 0 HB ILE A 36 9.130 -32.905 3.276 1.00 34.42 H new ATOM 0 HG12 ILE A 36 8.675 -35.611 1.959 1.00 61.13 H new ATOM 0 HG13 ILE A 36 7.547 -34.817 3.041 1.00 61.13 H new ATOM 0 HG21 ILE A 36 10.264 -33.138 1.095 1.00 51.21 H new ATOM 0 HG22 ILE A 36 11.426 -33.102 2.442 1.00 51.21 H new ATOM 0 HG23 ILE A 36 11.023 -34.647 1.655 1.00 51.21 H new ATOM 0 HD11 ILE A 36 6.895 -34.492 0.703 1.00 54.52 H new ATOM 0 HD12 ILE A 36 7.327 -32.936 1.452 1.00 54.52 H new ATOM 0 HD13 ILE A 36 8.471 -33.742 0.354 1.00 54.52 H new ATOM 594 N GLU A 37 12.355 -34.250 4.669 1.00 73.32 N ATOM 595 CA GLU A 37 13.523 -33.562 5.242 1.00 4.03 C ATOM 596 C GLU A 37 13.619 -32.107 4.754 1.00 52.35 C ATOM 597 O GLU A 37 13.371 -31.813 3.582 1.00 61.23 O ATOM 598 CB GLU A 37 14.817 -34.306 4.879 1.00 4.13 C ATOM 599 CG GLU A 37 14.850 -35.758 5.341 1.00 30.22 C ATOM 600 CD GLU A 37 16.197 -36.423 5.086 1.00 5.22 C ATOM 601 OE1 GLU A 37 16.495 -36.747 3.916 1.00 12.01 O ATOM 602 OE2 GLU A 37 16.961 -36.623 6.055 1.00 32.10 O ATOM 0 H GLU A 37 12.590 -35.062 4.098 1.00 73.32 H new ATOM 0 HA GLU A 37 13.395 -33.556 6.324 1.00 4.03 H new ATOM 0 HB2 GLU A 37 14.949 -34.277 3.797 1.00 4.13 H new ATOM 0 HB3 GLU A 37 15.663 -33.777 5.318 1.00 4.13 H new ATOM 0 HG2 GLU A 37 14.623 -35.802 6.406 1.00 30.22 H new ATOM 0 HG3 GLU A 37 14.069 -36.317 4.826 1.00 30.22 H new ATOM 609 N GLY A 38 13.970 -31.202 5.661 1.00 44.23 N ATOM 610 CA GLY A 38 14.092 -29.785 5.323 1.00 61.12 C ATOM 611 C GLY A 38 12.744 -29.069 5.230 1.00 41.23 C ATOM 612 O GLY A 38 12.569 -27.977 5.774 1.00 71.31 O ATOM 0 H GLY A 38 14.175 -31.422 6.636 1.00 44.23 H new ATOM 0 HA2 GLY A 38 14.707 -29.291 6.075 1.00 61.12 H new ATOM 0 HA3 GLY A 38 14.613 -29.689 4.371 1.00 61.12 H new ATOM 616 N VAL A 39 11.791 -29.690 4.538 1.00 65.21 N ATOM 617 CA VAL A 39 10.473 -29.091 4.305 1.00 32.03 C ATOM 618 C VAL A 39 9.604 -29.073 5.578 1.00 43.52 C ATOM 619 O VAL A 39 9.187 -28.012 6.040 1.00 14.53 O ATOM 620 CB VAL A 39 9.718 -29.842 3.178 1.00 64.02 C ATOM 621 CG1 VAL A 39 8.367 -29.189 2.889 1.00 4.45 C ATOM 622 CG2 VAL A 39 10.569 -29.907 1.912 1.00 74.41 C ATOM 0 H VAL A 39 11.906 -30.615 4.125 1.00 65.21 H new ATOM 0 HA VAL A 39 10.651 -28.059 4.003 1.00 32.03 H new ATOM 0 HB VAL A 39 9.530 -30.860 3.519 1.00 64.02 H new ATOM 0 HG11 VAL A 39 7.860 -29.737 2.095 1.00 4.45 H new ATOM 0 HG12 VAL A 39 7.754 -29.207 3.790 1.00 4.45 H new ATOM 0 HG13 VAL A 39 8.522 -28.156 2.576 1.00 4.45 H new ATOM 0 HG21 VAL A 39 10.022 -30.438 1.133 1.00 74.41 H new ATOM 0 HG22 VAL A 39 10.794 -28.896 1.573 1.00 74.41 H new ATOM 0 HG23 VAL A 39 11.499 -30.434 2.125 1.00 74.41 H new ATOM 632 N HIS A 40 9.322 -30.252 6.138 1.00 40.13 N ATOM 633 CA HIS A 40 8.469 -30.352 7.336 1.00 25.53 C ATOM 634 C HIS A 40 9.296 -30.320 8.637 1.00 63.11 C ATOM 635 O HIS A 40 8.800 -29.909 9.688 1.00 15.41 O ATOM 636 CB HIS A 40 7.620 -31.633 7.286 1.00 61.10 C ATOM 637 CG HIS A 40 6.599 -31.663 6.177 1.00 21.32 C ATOM 638 ND1 HIS A 40 6.307 -30.579 5.369 1.00 1.43 N ATOM 639 CD2 HIS A 40 5.787 -32.666 5.747 1.00 4.00 C ATOM 640 CE1 HIS A 40 5.370 -30.912 4.502 1.00 70.24 C ATOM 641 NE2 HIS A 40 5.040 -32.169 4.708 1.00 51.22 N ATOM 0 H HIS A 40 9.666 -31.146 5.789 1.00 40.13 H new ATOM 0 HA HIS A 40 7.812 -29.483 7.338 1.00 25.53 H new ATOM 0 HB2 HIS A 40 8.284 -32.490 7.175 1.00 61.10 H new ATOM 0 HB3 HIS A 40 7.106 -31.750 8.240 1.00 61.10 H new ATOM 0 HD1 HIS A 40 6.749 -29.662 5.434 1.00 1.43 H new ATOM 0 HD2 HIS A 40 5.739 -33.667 6.148 1.00 4.00 H new ATOM 0 HE1 HIS A 40 4.946 -30.263 3.750 1.00 70.24 H new ATOM 650 N PHE A 41 10.547 -30.766 8.561 1.00 40.12 N ATOM 651 CA PHE A 41 11.449 -30.770 9.723 1.00 72.21 C ATOM 652 C PHE A 41 12.912 -30.667 9.273 1.00 0.00 C ATOM 653 O PHE A 41 13.245 -31.044 8.152 1.00 1.23 O ATOM 654 CB PHE A 41 11.260 -32.052 10.551 1.00 61.34 C ATOM 655 CG PHE A 41 11.752 -33.308 9.866 1.00 44.41 C ATOM 656 CD1 PHE A 41 10.970 -33.957 8.924 1.00 14.31 C ATOM 657 CD2 PHE A 41 13.001 -33.837 10.170 1.00 21.15 C ATOM 658 CE1 PHE A 41 11.423 -35.105 8.300 1.00 40.30 C ATOM 659 CE2 PHE A 41 13.456 -34.982 9.548 1.00 70.40 C ATOM 660 CZ PHE A 41 12.666 -35.617 8.613 1.00 11.10 C ATOM 0 H PHE A 41 10.966 -31.132 7.706 1.00 40.12 H new ATOM 0 HA PHE A 41 11.203 -29.906 10.340 1.00 72.21 H new ATOM 0 HB2 PHE A 41 11.784 -31.939 11.500 1.00 61.34 H new ATOM 0 HB3 PHE A 41 10.202 -32.169 10.784 1.00 61.34 H new ATOM 0 HD1 PHE A 41 9.996 -33.562 8.674 1.00 14.31 H new ATOM 0 HD2 PHE A 41 13.624 -33.345 10.903 1.00 21.15 H new ATOM 0 HE1 PHE A 41 10.804 -35.601 7.567 1.00 40.30 H new ATOM 0 HE2 PHE A 41 14.430 -35.380 9.793 1.00 70.40 H new ATOM 0 HZ PHE A 41 13.019 -36.514 8.126 1.00 11.10 H new ATOM 670 N LYS A 42 13.786 -30.176 10.146 1.00 24.02 N ATOM 671 CA LYS A 42 15.217 -30.083 9.823 1.00 54.20 C ATOM 672 C LYS A 42 16.104 -30.360 11.045 1.00 34.31 C ATOM 673 O LYS A 42 15.632 -30.374 12.185 1.00 11.14 O ATOM 674 CB LYS A 42 15.543 -28.713 9.207 1.00 53.54 C ATOM 675 CG LYS A 42 15.224 -27.516 10.102 1.00 22.35 C ATOM 676 CD LYS A 42 15.449 -26.199 9.357 1.00 20.14 C ATOM 677 CE LYS A 42 15.130 -24.982 10.217 1.00 60.31 C ATOM 678 NZ LYS A 42 16.081 -24.825 11.348 1.00 74.04 N ATOM 0 H LYS A 42 13.538 -29.838 11.076 1.00 24.02 H new ATOM 0 HA LYS A 42 15.437 -30.857 9.088 1.00 54.20 H new ATOM 0 HB2 LYS A 42 16.603 -28.687 8.954 1.00 53.54 H new ATOM 0 HB3 LYS A 42 14.989 -28.609 8.274 1.00 53.54 H new ATOM 0 HG2 LYS A 42 14.189 -27.575 10.439 1.00 22.35 H new ATOM 0 HG3 LYS A 42 15.852 -27.546 10.993 1.00 22.35 H new ATOM 0 HD2 LYS A 42 16.486 -26.145 9.026 1.00 20.14 H new ATOM 0 HD3 LYS A 42 14.828 -26.181 8.462 1.00 20.14 H new ATOM 0 HE2 LYS A 42 15.155 -24.086 9.597 1.00 60.31 H new ATOM 0 HE3 LYS A 42 14.116 -25.072 10.607 1.00 60.31 H new ATOM 0 HZ1 LYS A 42 15.865 -23.948 11.864 1.00 74.04 H new ATOM 0 HZ2 LYS A 42 15.991 -25.636 11.992 1.00 74.04 H new ATOM 0 HZ3 LYS A 42 17.053 -24.780 10.981 1.00 74.04 H new ATOM 692 N ARG A 43 17.393 -30.587 10.791 1.00 65.31 N ATOM 693 CA ARG A 43 18.346 -30.977 11.837 1.00 13.20 C ATOM 694 C ARG A 43 18.865 -29.755 12.611 1.00 2.40 C ATOM 695 O ARG A 43 19.432 -28.829 12.029 1.00 73.03 O ATOM 696 CB ARG A 43 19.522 -31.744 11.208 1.00 61.03 C ATOM 697 CG ARG A 43 19.087 -32.930 10.345 1.00 1.12 C ATOM 698 CD ARG A 43 20.272 -33.633 9.686 1.00 20.24 C ATOM 699 NE ARG A 43 21.094 -34.371 10.644 1.00 13.42 N ATOM 700 CZ ARG A 43 22.287 -34.834 10.377 1.00 62.25 C ATOM 701 NH1 ARG A 43 22.847 -34.602 9.234 1.00 55.30 N ATOM 702 NH2 ARG A 43 22.921 -35.524 11.261 1.00 35.02 N ATOM 0 H ARG A 43 17.806 -30.507 9.862 1.00 65.31 H new ATOM 0 HA ARG A 43 17.827 -31.622 12.546 1.00 13.20 H new ATOM 0 HB2 ARG A 43 20.108 -31.057 10.598 1.00 61.03 H new ATOM 0 HB3 ARG A 43 20.177 -32.104 12.002 1.00 61.03 H new ATOM 0 HG2 ARG A 43 18.541 -33.644 10.961 1.00 1.12 H new ATOM 0 HG3 ARG A 43 18.399 -32.583 9.574 1.00 1.12 H new ATOM 0 HD2 ARG A 43 19.904 -34.320 8.924 1.00 20.24 H new ATOM 0 HD3 ARG A 43 20.890 -32.894 9.177 1.00 20.24 H new ATOM 0 HE ARG A 43 20.714 -34.534 11.576 1.00 13.42 H new ATOM 0 HH11 ARG A 43 22.357 -34.052 8.528 1.00 55.30 H new ATOM 0 HH12 ARG A 43 23.778 -34.969 9.039 1.00 55.30 H new ATOM 0 HH21 ARG A 43 22.492 -35.708 12.168 1.00 35.02 H new ATOM 0 HH22 ARG A 43 23.852 -35.886 11.054 1.00 35.02 H new ATOM 716 N VAL A 44 18.664 -29.761 13.926 1.00 22.32 N ATOM 717 CA VAL A 44 19.115 -28.665 14.791 1.00 22.54 C ATOM 718 C VAL A 44 20.194 -29.137 15.777 1.00 12.41 C ATOM 719 O VAL A 44 19.965 -30.035 16.589 1.00 60.21 O ATOM 720 CB VAL A 44 17.933 -28.056 15.587 1.00 15.23 C ATOM 721 CG1 VAL A 44 18.410 -26.907 16.478 1.00 62.33 C ATOM 722 CG2 VAL A 44 16.829 -27.590 14.637 1.00 73.35 C ATOM 0 H VAL A 44 18.189 -30.515 14.422 1.00 22.32 H new ATOM 0 HA VAL A 44 19.539 -27.902 14.138 1.00 22.54 H new ATOM 0 HB VAL A 44 17.521 -28.831 16.233 1.00 15.23 H new ATOM 0 HG11 VAL A 44 17.562 -26.496 17.026 1.00 62.33 H new ATOM 0 HG12 VAL A 44 19.153 -27.278 17.184 1.00 62.33 H new ATOM 0 HG13 VAL A 44 18.854 -26.127 15.859 1.00 62.33 H new ATOM 0 HG21 VAL A 44 16.008 -27.165 15.214 1.00 73.35 H new ATOM 0 HG22 VAL A 44 17.226 -26.833 13.961 1.00 73.35 H new ATOM 0 HG23 VAL A 44 16.465 -28.439 14.058 1.00 73.35 H new ATOM 876 N THR A 55 19.118 -32.722 17.020 1.00 71.32 N ATOM 877 CA THR A 55 17.750 -32.557 17.532 1.00 10.02 C ATOM 878 C THR A 55 16.776 -32.235 16.387 1.00 25.00 C ATOM 879 O THR A 55 17.109 -31.483 15.474 1.00 45.25 O ATOM 880 CB THR A 55 17.684 -31.430 18.595 1.00 4.41 C ATOM 881 OG1 THR A 55 18.598 -31.713 19.670 1.00 4.14 O ATOM 882 CG2 THR A 55 16.270 -31.276 19.156 1.00 43.13 C ATOM 0 HA THR A 55 17.459 -33.499 17.998 1.00 10.02 H new ATOM 0 HB THR A 55 17.965 -30.496 18.109 1.00 4.41 H new ATOM 0 HG1 THR A 55 19.363 -32.218 19.324 1.00 4.14 H new ATOM 0 HG21 THR A 55 16.258 -30.478 19.898 1.00 43.13 H new ATOM 0 HG22 THR A 55 15.582 -31.029 18.347 1.00 43.13 H new ATOM 0 HG23 THR A 55 15.960 -32.211 19.623 1.00 43.13 H new ATOM 890 N THR A 56 15.575 -32.806 16.429 1.00 3.35 N ATOM 891 CA THR A 56 14.618 -32.668 15.320 1.00 70.42 C ATOM 892 C THR A 56 13.393 -31.821 15.704 1.00 71.24 C ATOM 893 O THR A 56 12.539 -32.254 16.478 1.00 23.30 O ATOM 894 CB THR A 56 14.142 -34.054 14.825 1.00 35.41 C ATOM 895 OG1 THR A 56 15.280 -34.872 14.494 1.00 63.20 O ATOM 896 CG2 THR A 56 13.239 -33.923 13.603 1.00 73.22 C ATOM 0 H THR A 56 15.237 -33.367 17.211 1.00 3.35 H new ATOM 0 HA THR A 56 15.150 -32.154 14.519 1.00 70.42 H new ATOM 0 HB THR A 56 13.571 -34.521 15.627 1.00 35.41 H new ATOM 0 HG1 THR A 56 14.973 -35.749 14.183 1.00 63.20 H new ATOM 0 HG21 THR A 56 12.920 -34.913 13.278 1.00 73.22 H new ATOM 0 HG22 THR A 56 12.364 -33.326 13.860 1.00 73.22 H new ATOM 0 HG23 THR A 56 13.787 -33.435 12.797 1.00 73.22 H new ATOM 904 N TRP A 57 13.319 -30.608 15.155 1.00 43.41 N ATOM 905 CA TRP A 57 12.171 -29.714 15.379 1.00 60.52 C ATOM 906 C TRP A 57 11.209 -29.742 14.179 1.00 24.31 C ATOM 907 O TRP A 57 11.638 -29.713 13.022 1.00 10.43 O ATOM 908 CB TRP A 57 12.653 -28.278 15.638 1.00 62.41 C ATOM 909 CG TRP A 57 13.411 -28.118 16.926 1.00 62.34 C ATOM 910 CD1 TRP A 57 14.680 -28.544 17.189 1.00 44.21 C ATOM 911 CD2 TRP A 57 12.947 -27.484 18.125 1.00 73.44 C ATOM 912 NE1 TRP A 57 15.033 -28.213 18.473 1.00 12.52 N ATOM 913 CE2 TRP A 57 13.987 -27.565 19.070 1.00 63.44 C ATOM 914 CE3 TRP A 57 11.753 -26.857 18.492 1.00 21.31 C ATOM 915 CZ2 TRP A 57 13.870 -27.042 20.355 1.00 33.44 C ATOM 916 CZ3 TRP A 57 11.637 -26.338 19.769 1.00 30.32 C ATOM 917 CH2 TRP A 57 12.690 -26.434 20.687 1.00 72.40 C ATOM 0 H TRP A 57 14.040 -30.217 14.549 1.00 43.41 H new ATOM 0 HA TRP A 57 11.633 -30.069 16.258 1.00 60.52 H new ATOM 0 HB2 TRP A 57 13.289 -27.963 14.811 1.00 62.41 H new ATOM 0 HB3 TRP A 57 11.791 -27.611 15.649 1.00 62.41 H new ATOM 0 HD1 TRP A 57 15.315 -29.066 16.488 1.00 44.21 H new ATOM 0 HE1 TRP A 57 15.931 -28.417 18.912 1.00 12.52 H new ATOM 0 HE3 TRP A 57 10.935 -26.779 17.791 1.00 21.31 H new ATOM 0 HZ2 TRP A 57 14.681 -27.114 21.064 1.00 33.44 H new ATOM 0 HZ3 TRP A 57 10.719 -25.851 20.063 1.00 30.32 H new ATOM 0 HH2 TRP A 57 12.568 -26.020 21.677 1.00 72.40 H new ATOM 928 N TYR A 58 9.908 -29.799 14.466 1.00 41.53 N ATOM 929 CA TYR A 58 8.873 -29.890 13.426 1.00 21.34 C ATOM 930 C TYR A 58 8.105 -28.566 13.273 1.00 44.33 C ATOM 931 O TYR A 58 7.759 -27.920 14.264 1.00 10.34 O ATOM 932 CB TYR A 58 7.903 -31.032 13.770 1.00 41.11 C ATOM 933 CG TYR A 58 8.596 -32.373 13.927 1.00 70.34 C ATOM 934 CD1 TYR A 58 8.887 -33.153 12.815 1.00 64.10 C ATOM 935 CD2 TYR A 58 8.984 -32.846 15.179 1.00 64.14 C ATOM 936 CE1 TYR A 58 9.536 -34.364 12.943 1.00 13.33 C ATOM 937 CE2 TYR A 58 9.642 -34.056 15.311 1.00 41.24 C ATOM 938 CZ TYR A 58 9.913 -34.809 14.188 1.00 12.41 C ATOM 939 OH TYR A 58 10.583 -36.007 14.303 1.00 33.34 O ATOM 0 H TYR A 58 9.540 -29.784 15.417 1.00 41.53 H new ATOM 0 HA TYR A 58 9.361 -30.096 12.473 1.00 21.34 H new ATOM 0 HB2 TYR A 58 7.379 -30.790 14.695 1.00 41.11 H new ATOM 0 HB3 TYR A 58 7.149 -31.109 12.987 1.00 41.11 H new ATOM 0 HD1 TYR A 58 8.600 -32.806 11.833 1.00 64.10 H new ATOM 0 HD2 TYR A 58 8.768 -32.259 16.060 1.00 64.14 H new ATOM 0 HE1 TYR A 58 9.747 -34.960 12.068 1.00 13.33 H new ATOM 0 HE2 TYR A 58 9.941 -34.408 16.287 1.00 41.24 H new ATOM 0 HH TYR A 58 10.781 -36.182 15.247 1.00 33.34 H new ATOM 949 N ASN A 59 7.849 -28.165 12.025 1.00 22.44 N ATOM 950 CA ASN A 59 7.100 -26.933 11.743 1.00 2.51 C ATOM 951 C ASN A 59 5.585 -27.207 11.687 1.00 43.33 C ATOM 952 O ASN A 59 5.095 -27.884 10.780 1.00 34.43 O ATOM 953 CB ASN A 59 7.584 -26.304 10.427 1.00 24.15 C ATOM 954 CG ASN A 59 6.967 -24.937 10.171 1.00 74.13 C ATOM 955 OD1 ASN A 59 6.597 -24.223 11.096 1.00 1.23 O ATOM 956 ND2 ASN A 59 6.870 -24.548 8.917 1.00 74.10 N ATOM 0 H ASN A 59 8.148 -28.674 11.193 1.00 22.44 H new ATOM 0 HA ASN A 59 7.284 -26.229 12.555 1.00 2.51 H new ATOM 0 HB2 ASN A 59 8.670 -26.210 10.451 1.00 24.15 H new ATOM 0 HB3 ASN A 59 7.340 -26.970 9.599 1.00 24.15 H new ATOM 0 HD21 ASN A 59 6.479 -23.632 8.696 1.00 74.10 H new ATOM 0 HD22 ASN A 59 7.186 -25.162 8.167 1.00 74.10 H new ATOM 963 N TYR A 60 4.859 -26.660 12.664 1.00 13.33 N ATOM 964 CA TYR A 60 3.417 -26.918 12.836 1.00 54.41 C ATOM 965 C TYR A 60 2.589 -26.703 11.539 1.00 50.10 C ATOM 966 O TYR A 60 1.864 -27.609 11.123 1.00 33.10 O ATOM 967 CB TYR A 60 2.875 -26.052 13.988 1.00 12.45 C ATOM 968 CG TYR A 60 1.414 -26.291 14.326 1.00 75.44 C ATOM 969 CD1 TYR A 60 0.998 -27.497 14.882 1.00 61.42 C ATOM 970 CD2 TYR A 60 0.453 -25.306 14.104 1.00 12.31 C ATOM 971 CE1 TYR A 60 -0.326 -27.714 15.207 1.00 63.12 C ATOM 972 CE2 TYR A 60 -0.873 -25.519 14.425 1.00 13.14 C ATOM 973 CZ TYR A 60 -1.257 -26.724 14.976 1.00 24.14 C ATOM 974 OH TYR A 60 -2.577 -26.937 15.308 1.00 71.50 O ATOM 0 H TYR A 60 5.248 -26.025 13.361 1.00 13.33 H new ATOM 0 HA TYR A 60 3.305 -27.974 13.081 1.00 54.41 H new ATOM 0 HB2 TYR A 60 3.475 -26.238 14.878 1.00 12.45 H new ATOM 0 HB3 TYR A 60 3.007 -25.002 13.729 1.00 12.45 H new ATOM 0 HD1 TYR A 60 1.723 -28.277 15.062 1.00 61.42 H new ATOM 0 HD2 TYR A 60 0.750 -24.361 13.674 1.00 12.31 H new ATOM 0 HE1 TYR A 60 -0.631 -28.655 15.640 1.00 63.12 H new ATOM 0 HE2 TYR A 60 -1.606 -24.746 14.246 1.00 13.14 H new ATOM 0 HH TYR A 60 -2.628 -27.549 16.072 1.00 71.50 H new ATOM 984 N PRO A 61 2.670 -25.518 10.877 1.00 25.43 N ATOM 985 CA PRO A 61 1.914 -25.259 9.630 1.00 3.55 C ATOM 986 C PRO A 61 2.116 -26.349 8.560 1.00 51.14 C ATOM 987 O PRO A 61 1.176 -26.731 7.857 1.00 61.44 O ATOM 988 CB PRO A 61 2.480 -23.918 9.144 1.00 3.31 C ATOM 989 CG PRO A 61 2.958 -23.244 10.384 1.00 53.53 C ATOM 990 CD PRO A 61 3.473 -24.342 11.277 1.00 50.55 C ATOM 0 HA PRO A 61 0.839 -25.250 9.810 1.00 3.55 H new ATOM 0 HB2 PRO A 61 3.293 -24.065 8.433 1.00 3.31 H new ATOM 0 HB3 PRO A 61 1.718 -23.325 8.639 1.00 3.31 H new ATOM 0 HG2 PRO A 61 3.744 -22.523 10.159 1.00 53.53 H new ATOM 0 HG3 PRO A 61 2.150 -22.695 10.867 1.00 53.53 H new ATOM 0 HD2 PRO A 61 4.539 -24.514 11.127 1.00 50.55 H new ATOM 0 HD3 PRO A 61 3.334 -24.101 12.331 1.00 50.55 H new ATOM 998 N GLU A 62 3.344 -26.858 8.461 1.00 4.34 N ATOM 999 CA GLU A 62 3.685 -27.899 7.483 1.00 51.31 C ATOM 1000 C GLU A 62 2.950 -29.220 7.761 1.00 11.24 C ATOM 1001 O GLU A 62 2.730 -30.024 6.852 1.00 61.31 O ATOM 1002 CB GLU A 62 5.202 -28.133 7.477 1.00 63.52 C ATOM 1003 CG GLU A 62 5.992 -27.033 6.776 1.00 15.44 C ATOM 1004 CD GLU A 62 5.679 -26.945 5.288 1.00 32.34 C ATOM 1005 OE1 GLU A 62 5.930 -27.932 4.569 1.00 42.32 O ATOM 1006 OE2 GLU A 62 5.186 -25.894 4.825 1.00 44.53 O ATOM 0 H GLU A 62 4.125 -26.566 9.048 1.00 4.34 H new ATOM 0 HA GLU A 62 3.362 -27.547 6.503 1.00 51.31 H new ATOM 0 HB2 GLU A 62 5.551 -28.219 8.506 1.00 63.52 H new ATOM 0 HB3 GLU A 62 5.411 -29.085 6.989 1.00 63.52 H new ATOM 0 HG2 GLU A 62 5.771 -26.075 7.247 1.00 15.44 H new ATOM 0 HG3 GLU A 62 7.058 -27.215 6.909 1.00 15.44 H new ATOM 1013 N ILE A 63 2.581 -29.442 9.018 1.00 73.34 N ATOM 1014 CA ILE A 63 1.846 -30.646 9.412 1.00 65.13 C ATOM 1015 C ILE A 63 0.327 -30.458 9.236 1.00 51.21 C ATOM 1016 O ILE A 63 -0.371 -31.383 8.820 1.00 42.24 O ATOM 1017 CB ILE A 63 2.194 -31.053 10.865 1.00 71.54 C ATOM 1018 CG1 ILE A 63 3.699 -31.380 10.950 1.00 1.01 C ATOM 1019 CG2 ILE A 63 1.342 -32.240 11.321 1.00 65.41 C ATOM 1020 CD1 ILE A 63 4.171 -31.789 12.324 1.00 70.23 C ATOM 0 H ILE A 63 2.779 -28.802 9.787 1.00 73.34 H new ATOM 0 HA ILE A 63 2.155 -31.456 8.752 1.00 65.13 H new ATOM 0 HB ILE A 63 1.971 -30.223 11.535 1.00 71.54 H new ATOM 0 HG12 ILE A 63 3.924 -32.183 10.248 1.00 1.01 H new ATOM 0 HG13 ILE A 63 4.267 -30.507 10.629 1.00 1.01 H new ATOM 0 HG21 ILE A 63 1.606 -32.506 12.345 1.00 65.41 H new ATOM 0 HG22 ILE A 63 0.287 -31.969 11.277 1.00 65.41 H new ATOM 0 HG23 ILE A 63 1.525 -33.092 10.666 1.00 65.41 H new ATOM 0 HD11 ILE A 63 5.240 -32.001 12.294 1.00 70.23 H new ATOM 0 HD12 ILE A 63 3.981 -30.980 13.030 1.00 70.23 H new ATOM 0 HD13 ILE A 63 3.633 -32.682 12.643 1.00 70.23 H new ATOM 1032 N ASN A 64 -0.178 -29.255 9.529 1.00 61.03 N ATOM 1033 CA ASN A 64 -1.575 -28.909 9.208 1.00 51.34 C ATOM 1034 C ASN A 64 -1.854 -29.141 7.715 1.00 73.53 C ATOM 1035 O ASN A 64 -2.920 -29.629 7.329 1.00 31.51 O ATOM 1036 CB ASN A 64 -1.875 -27.447 9.566 1.00 1.32 C ATOM 1037 CG ASN A 64 -1.871 -27.190 11.061 1.00 25.35 C ATOM 1038 OD1 ASN A 64 -1.146 -27.825 11.818 1.00 72.14 O ATOM 1039 ND2 ASN A 64 -2.689 -26.256 11.500 1.00 3.04 N ATOM 0 H ASN A 64 0.349 -28.509 9.983 1.00 61.03 H new ATOM 0 HA ASN A 64 -2.224 -29.554 9.800 1.00 51.34 H new ATOM 0 HB2 ASN A 64 -1.135 -26.803 9.090 1.00 1.32 H new ATOM 0 HB3 ASN A 64 -2.847 -27.171 9.158 1.00 1.32 H new ATOM 0 HD21 ASN A 64 -2.732 -26.043 12.497 1.00 3.04 H new ATOM 0 HD22 ASN A 64 -3.280 -25.745 10.843 1.00 3.04 H new ATOM 1046 N LYS A 65 -0.873 -28.788 6.887 1.00 75.14 N ATOM 1047 CA LYS A 65 -0.917 -29.055 5.446 1.00 3.41 C ATOM 1048 C LYS A 65 -1.256 -30.531 5.168 1.00 0.10 C ATOM 1049 O LYS A 65 -2.086 -30.846 4.311 1.00 64.44 O ATOM 1050 CB LYS A 65 0.445 -28.705 4.830 1.00 3.12 C ATOM 1051 CG LYS A 65 0.518 -28.873 3.316 1.00 61.22 C ATOM 1052 CD LYS A 65 1.933 -28.631 2.791 1.00 72.53 C ATOM 1053 CE LYS A 65 2.452 -27.243 3.165 1.00 51.42 C ATOM 1054 NZ LYS A 65 3.836 -27.014 2.669 1.00 64.32 N ATOM 0 H LYS A 65 -0.026 -28.310 7.193 1.00 75.14 H new ATOM 0 HA LYS A 65 -1.697 -28.441 4.997 1.00 3.41 H new ATOM 0 HB2 LYS A 65 0.688 -27.672 5.080 1.00 3.12 H new ATOM 0 HB3 LYS A 65 1.209 -29.332 5.289 1.00 3.12 H new ATOM 0 HG2 LYS A 65 0.196 -29.878 3.045 1.00 61.22 H new ATOM 0 HG3 LYS A 65 -0.172 -28.177 2.838 1.00 61.22 H new ATOM 0 HD2 LYS A 65 2.604 -29.390 3.194 1.00 72.53 H new ATOM 0 HD3 LYS A 65 1.941 -28.741 1.707 1.00 72.53 H new ATOM 0 HE2 LYS A 65 1.788 -26.484 2.751 1.00 51.42 H new ATOM 0 HE3 LYS A 65 2.431 -27.128 4.249 1.00 51.42 H new ATOM 0 HZ1 LYS A 65 4.337 -26.375 3.320 1.00 64.32 H new ATOM 0 HZ2 LYS A 65 4.341 -27.922 2.618 1.00 64.32 H new ATOM 0 HZ3 LYS A 65 3.799 -26.585 1.723 1.00 64.32 H new ATOM 1068 N PHE A 66 -0.611 -31.423 5.914 1.00 5.44 N ATOM 1069 CA PHE A 66 -0.839 -32.867 5.793 1.00 41.54 C ATOM 1070 C PHE A 66 -2.244 -33.260 6.288 1.00 35.21 C ATOM 1071 O PHE A 66 -2.919 -34.096 5.680 1.00 73.04 O ATOM 1072 CB PHE A 66 0.237 -33.623 6.589 1.00 14.11 C ATOM 1073 CG PHE A 66 0.072 -35.125 6.593 1.00 14.32 C ATOM 1074 CD1 PHE A 66 0.552 -35.894 5.541 1.00 64.31 C ATOM 1075 CD2 PHE A 66 -0.563 -35.768 7.648 1.00 13.34 C ATOM 1076 CE1 PHE A 66 0.403 -37.268 5.542 1.00 61.11 C ATOM 1077 CE2 PHE A 66 -0.714 -37.141 7.652 1.00 53.45 C ATOM 1078 CZ PHE A 66 -0.230 -37.892 6.598 1.00 22.31 C ATOM 0 H PHE A 66 0.083 -31.171 6.618 1.00 5.44 H new ATOM 0 HA PHE A 66 -0.774 -33.139 4.739 1.00 41.54 H new ATOM 0 HB2 PHE A 66 1.216 -33.379 6.176 1.00 14.11 H new ATOM 0 HB3 PHE A 66 0.227 -33.266 7.619 1.00 14.11 H new ATOM 0 HD1 PHE A 66 1.048 -35.412 4.711 1.00 64.31 H new ATOM 0 HD2 PHE A 66 -0.943 -35.187 8.475 1.00 13.34 H new ATOM 0 HE1 PHE A 66 0.782 -37.853 4.717 1.00 61.11 H new ATOM 0 HE2 PHE A 66 -1.210 -37.627 8.479 1.00 53.45 H new ATOM 0 HZ PHE A 66 -0.347 -38.966 6.600 1.00 22.31 H new ATOM 1088 N ILE A 67 -2.677 -32.647 7.392 1.00 42.40 N ATOM 1089 CA ILE A 67 -3.990 -32.933 7.985 1.00 52.30 C ATOM 1090 C ILE A 67 -5.135 -32.695 6.981 1.00 44.42 C ATOM 1091 O ILE A 67 -6.129 -33.429 6.969 1.00 51.52 O ATOM 1092 CB ILE A 67 -4.229 -32.080 9.260 1.00 74.14 C ATOM 1093 CG1 ILE A 67 -3.127 -32.357 10.301 1.00 72.12 C ATOM 1094 CG2 ILE A 67 -5.611 -32.360 9.852 1.00 25.12 C ATOM 1095 CD1 ILE A 67 -3.267 -31.554 11.583 1.00 33.12 C ATOM 0 H ILE A 67 -2.136 -31.945 7.897 1.00 42.40 H new ATOM 0 HA ILE A 67 -3.987 -33.988 8.260 1.00 52.30 H new ATOM 0 HB ILE A 67 -4.189 -31.027 8.981 1.00 74.14 H new ATOM 0 HG12 ILE A 67 -3.134 -33.419 10.548 1.00 72.12 H new ATOM 0 HG13 ILE A 67 -2.157 -32.140 9.854 1.00 72.12 H new ATOM 0 HG21 ILE A 67 -5.755 -31.751 10.744 1.00 25.12 H new ATOM 0 HG22 ILE A 67 -6.378 -32.115 9.117 1.00 25.12 H new ATOM 0 HG23 ILE A 67 -5.686 -33.415 10.117 1.00 25.12 H new ATOM 0 HD11 ILE A 67 -2.453 -31.808 12.262 1.00 33.12 H new ATOM 0 HD12 ILE A 67 -3.228 -30.490 11.352 1.00 33.12 H new ATOM 0 HD13 ILE A 67 -4.220 -31.788 12.057 1.00 33.12 H new