USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 30:sc= -2.08! USER MOD Set 1.2: A 97 THR OG1 : rot -107:sc= -0.0183 USER MOD Set 2.1: A 72 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.938 K(o=-0.94,f=-7.9!) USER MOD Single : A 39 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.054) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= -0.0563 (180deg=-0.945) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 111:sc= 0.708 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -100:sc= -0.15 USER MOD Single : A 58 GLN : amide:sc= -0.0838 X(o=-0.084,f=-0.42) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -155:sc= -1.14 (180deg=-3.51!) USER MOD Single : A 70 THR OG1 : rot -61:sc= 0.742 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.073 K(o=-0.073,f=-1.8) USER MOD Single : A 81 THR OG1 : rot 70:sc= 0.331 USER MOD Single : A 83 CYS SG : rot 73:sc= -1.5 USER MOD Single : A 87 CYS SG : rot 180:sc=-0.00665 USER MOD Single : A 89 HIS : no HD1:sc= 0.4 K(o=0.4,f=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 107 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 3.641 6.896 -4.042 1.00 23.20 N ATOM 103 CA ARG A 9 4.732 7.808 -4.363 1.00 11.40 C ATOM 104 C ARG A 9 5.589 7.254 -5.498 1.00 24.42 C ATOM 105 O ARG A 9 5.309 6.183 -6.034 1.00 21.44 O ATOM 106 CB ARG A 9 5.600 8.053 -3.128 1.00 11.01 C ATOM 107 CG ARG A 9 5.665 9.512 -2.708 1.00 3.33 C ATOM 108 CD ARG A 9 6.906 9.799 -1.878 1.00 2.44 C ATOM 109 NE ARG A 9 7.740 10.835 -2.483 1.00 52.40 N ATOM 110 CZ ARG A 9 9.015 11.031 -2.163 1.00 2.13 C ATOM 111 NH1 ARG A 9 9.598 10.266 -1.251 1.00 53.42 N ATOM 112 NH2 ARG A 9 9.709 11.994 -2.758 1.00 44.43 N ATOM 0 HA ARG A 9 4.297 8.754 -4.687 1.00 11.40 H new ATOM 0 HB2 ARG A 9 5.212 7.462 -2.299 1.00 11.01 H new ATOM 0 HB3 ARG A 9 6.610 7.696 -3.328 1.00 11.01 H new ATOM 0 HG2 ARG A 9 5.664 10.147 -3.594 1.00 3.33 H new ATOM 0 HG3 ARG A 9 4.775 9.766 -2.133 1.00 3.33 H new ATOM 0 HD2 ARG A 9 6.609 10.111 -0.877 1.00 2.44 H new ATOM 0 HD3 ARG A 9 7.488 8.884 -1.767 1.00 2.44 H new ATOM 0 HE ARG A 9 7.321 11.440 -3.189 1.00 52.40 H new ATOM 0 HH11 ARG A 9 9.068 9.525 -0.793 1.00 53.42 H new ATOM 0 HH12 ARG A 9 10.577 10.419 -1.007 1.00 53.42 H new ATOM 0 HH21 ARG A 9 9.264 12.584 -3.461 1.00 44.43 H new ATOM 0 HH22 ARG A 9 10.687 12.144 -2.512 1.00 44.43 H new ATOM 126 N GLY A 10 6.633 7.993 -5.860 1.00 43.24 N ATOM 127 CA GLY A 10 7.513 7.560 -6.929 1.00 61.14 C ATOM 128 C GLY A 10 8.658 6.701 -6.426 1.00 10.32 C ATOM 129 O GLY A 10 8.752 5.520 -6.759 1.00 23.23 O ATOM 0 H GLY A 10 6.885 8.884 -5.432 1.00 43.24 H new ATOM 0 HA2 GLY A 10 6.937 6.998 -7.664 1.00 61.14 H new ATOM 0 HA3 GLY A 10 7.916 8.434 -7.440 1.00 61.14 H new ATOM 133 N LYS A 11 9.533 7.297 -5.622 1.00 65.10 N ATOM 134 CA LYS A 11 10.677 6.581 -5.073 1.00 42.03 C ATOM 135 C LYS A 11 10.221 5.412 -4.204 1.00 74.01 C ATOM 136 O LYS A 11 10.777 4.315 -4.280 1.00 43.51 O ATOM 137 CB LYS A 11 11.552 7.530 -4.251 1.00 71.22 C ATOM 138 CG LYS A 11 12.941 7.733 -4.830 1.00 33.01 C ATOM 139 CD LYS A 11 13.078 9.097 -5.485 1.00 51.13 C ATOM 140 CE LYS A 11 13.202 10.203 -4.447 1.00 72.11 C ATOM 141 NZ LYS A 11 12.892 11.541 -5.022 1.00 55.12 N ATOM 0 H LYS A 11 9.471 8.274 -5.337 1.00 65.10 H new ATOM 0 HA LYS A 11 11.261 6.187 -5.905 1.00 42.03 H new ATOM 0 HB2 LYS A 11 11.054 8.497 -4.176 1.00 71.22 H new ATOM 0 HB3 LYS A 11 11.644 7.140 -3.237 1.00 71.22 H new ATOM 0 HG2 LYS A 11 13.684 7.632 -4.039 1.00 33.01 H new ATOM 0 HG3 LYS A 11 13.148 6.954 -5.563 1.00 33.01 H new ATOM 0 HD2 LYS A 11 13.954 9.104 -6.133 1.00 51.13 H new ATOM 0 HD3 LYS A 11 12.212 9.286 -6.119 1.00 51.13 H new ATOM 0 HE2 LYS A 11 12.526 9.999 -3.617 1.00 72.11 H new ATOM 0 HE3 LYS A 11 14.213 10.208 -4.041 1.00 72.11 H new ATOM 0 HZ1 LYS A 11 12.988 12.267 -4.283 1.00 55.12 H new ATOM 0 HZ2 LYS A 11 13.553 11.747 -5.798 1.00 55.12 H new ATOM 0 HZ3 LYS A 11 11.918 11.545 -5.387 1.00 55.12 H new ATOM 155 N LYS A 12 9.208 5.653 -3.380 1.00 61.30 N ATOM 156 CA LYS A 12 8.675 4.620 -2.499 1.00 42.51 C ATOM 157 C LYS A 12 8.089 3.466 -3.306 1.00 30.20 C ATOM 158 O LYS A 12 8.255 2.300 -2.950 1.00 44.14 O ATOM 159 CB LYS A 12 7.604 5.209 -1.579 1.00 43.11 C ATOM 160 CG LYS A 12 8.143 5.677 -0.238 1.00 14.53 C ATOM 161 CD LYS A 12 9.029 6.904 -0.392 1.00 63.31 C ATOM 162 CE LYS A 12 10.504 6.531 -0.386 1.00 62.51 C ATOM 163 NZ LYS A 12 11.101 6.652 0.973 1.00 21.52 N ATOM 0 H LYS A 12 8.739 6.555 -3.303 1.00 61.30 H new ATOM 0 HA LYS A 12 9.495 4.236 -1.892 1.00 42.51 H new ATOM 0 HB2 LYS A 12 7.127 6.050 -2.083 1.00 43.11 H new ATOM 0 HB3 LYS A 12 6.831 4.459 -1.409 1.00 43.11 H new ATOM 0 HG2 LYS A 12 7.312 5.908 0.429 1.00 14.53 H new ATOM 0 HG3 LYS A 12 8.712 4.872 0.228 1.00 14.53 H new ATOM 0 HD2 LYS A 12 8.786 7.415 -1.323 1.00 63.31 H new ATOM 0 HD3 LYS A 12 8.826 7.604 0.418 1.00 63.31 H new ATOM 0 HE2 LYS A 12 10.621 5.508 -0.745 1.00 62.51 H new ATOM 0 HE3 LYS A 12 11.045 7.176 -1.079 1.00 62.51 H new ATOM 0 HZ1 LYS A 12 12.107 6.389 0.935 1.00 21.52 H new ATOM 0 HZ2 LYS A 12 11.012 7.633 1.305 1.00 21.52 H new ATOM 0 HZ3 LYS A 12 10.602 6.018 1.629 1.00 21.52 H new ATOM 177 N ALA A 13 7.404 3.799 -4.395 1.00 22.22 N ATOM 178 CA ALA A 13 6.796 2.790 -5.254 1.00 72.23 C ATOM 179 C ALA A 13 7.825 1.754 -5.696 1.00 42.31 C ATOM 180 O ALA A 13 7.498 0.584 -5.888 1.00 71.45 O ATOM 181 CB ALA A 13 6.151 3.447 -6.465 1.00 11.31 C ATOM 0 H ALA A 13 7.256 4.760 -4.703 1.00 22.22 H new ATOM 0 HA ALA A 13 6.025 2.276 -4.680 1.00 72.23 H new ATOM 0 HB1 ALA A 13 5.701 2.682 -7.098 1.00 11.31 H new ATOM 0 HB2 ALA A 13 5.381 4.143 -6.134 1.00 11.31 H new ATOM 0 HB3 ALA A 13 6.909 3.987 -7.032 1.00 11.31 H new ATOM 187 N ASP A 14 9.068 2.194 -5.858 1.00 62.35 N ATOM 188 CA ASP A 14 10.145 1.305 -6.278 1.00 71.11 C ATOM 189 C ASP A 14 10.368 0.199 -5.251 1.00 34.02 C ATOM 190 O ASP A 14 10.851 -0.883 -5.585 1.00 5.14 O ATOM 191 CB ASP A 14 11.438 2.095 -6.483 1.00 1.34 C ATOM 192 CG ASP A 14 12.403 1.395 -7.419 1.00 75.25 C ATOM 193 OD1 ASP A 14 13.056 0.426 -6.979 1.00 53.41 O ATOM 194 OD2 ASP A 14 12.506 1.814 -8.591 1.00 50.32 O ATOM 0 H ASP A 14 9.355 3.161 -5.705 1.00 62.35 H new ATOM 0 HA ASP A 14 9.856 0.846 -7.223 1.00 71.11 H new ATOM 0 HB2 ASP A 14 11.199 3.080 -6.883 1.00 1.34 H new ATOM 0 HB3 ASP A 14 11.921 2.252 -5.519 1.00 1.34 H new ATOM 199 N GLU A 15 10.015 0.480 -4.000 1.00 3.22 N ATOM 200 CA GLU A 15 10.179 -0.491 -2.924 1.00 30.05 C ATOM 201 C GLU A 15 8.875 -1.240 -2.663 1.00 0.22 C ATOM 202 O GLU A 15 8.884 -2.418 -2.306 1.00 53.01 O ATOM 203 CB GLU A 15 10.645 0.207 -1.644 1.00 0.13 C ATOM 204 CG GLU A 15 12.063 -0.155 -1.236 1.00 23.00 C ATOM 205 CD GLU A 15 12.142 -1.494 -0.528 1.00 74.00 C ATOM 206 OE1 GLU A 15 11.362 -1.711 0.422 1.00 44.22 O ATOM 207 OE2 GLU A 15 12.985 -2.325 -0.926 1.00 54.43 O ATOM 0 H GLU A 15 9.614 1.371 -3.707 1.00 3.22 H new ATOM 0 HA GLU A 15 10.936 -1.212 -3.232 1.00 30.05 H new ATOM 0 HB2 GLU A 15 10.580 1.286 -1.784 1.00 0.13 H new ATOM 0 HB3 GLU A 15 9.965 -0.050 -0.832 1.00 0.13 H new ATOM 0 HG2 GLU A 15 12.697 -0.179 -2.122 1.00 23.00 H new ATOM 0 HG3 GLU A 15 12.458 0.622 -0.582 1.00 23.00 H new ATOM 214 N LEU A 16 7.756 -0.547 -2.844 1.00 31.34 N ATOM 215 CA LEU A 16 6.443 -1.145 -2.628 1.00 10.34 C ATOM 216 C LEU A 16 6.095 -2.114 -3.755 1.00 64.14 C ATOM 217 O LEU A 16 5.452 -3.138 -3.527 1.00 11.30 O ATOM 218 CB LEU A 16 5.375 -0.055 -2.529 1.00 2.43 C ATOM 219 CG LEU A 16 3.971 -0.524 -2.145 1.00 4.34 C ATOM 220 CD1 LEU A 16 3.207 -0.986 -3.377 1.00 61.31 C ATOM 221 CD2 LEU A 16 4.045 -1.639 -1.113 1.00 62.04 C ATOM 0 H LEU A 16 7.732 0.429 -3.140 1.00 31.34 H new ATOM 0 HA LEU A 16 6.473 -1.701 -1.691 1.00 10.34 H new ATOM 0 HB2 LEU A 16 5.703 0.682 -1.796 1.00 2.43 H new ATOM 0 HB3 LEU A 16 5.316 0.456 -3.490 1.00 2.43 H new ATOM 0 HG LEU A 16 3.436 0.317 -1.704 1.00 4.34 H new ATOM 0 HD11 LEU A 16 2.210 -1.316 -3.084 1.00 61.31 H new ATOM 0 HD12 LEU A 16 3.123 -0.160 -4.084 1.00 61.31 H new ATOM 0 HD13 LEU A 16 3.740 -1.813 -3.847 1.00 61.31 H new ATOM 0 HD21 LEU A 16 3.037 -1.960 -0.852 1.00 62.04 H new ATOM 0 HD22 LEU A 16 4.599 -2.482 -1.527 1.00 62.04 H new ATOM 0 HD23 LEU A 16 4.553 -1.275 -0.220 1.00 62.04 H new ATOM 233 N GLU A 17 6.524 -1.783 -4.968 1.00 73.13 N ATOM 234 CA GLU A 17 6.258 -2.625 -6.128 1.00 53.42 C ATOM 235 C GLU A 17 7.278 -3.756 -6.225 1.00 65.11 C ATOM 236 O GLU A 17 7.106 -4.696 -7.002 1.00 41.33 O ATOM 237 CB GLU A 17 6.284 -1.789 -7.409 1.00 22.25 C ATOM 238 CG GLU A 17 6.020 -2.597 -8.668 1.00 4.03 C ATOM 239 CD GLU A 17 5.390 -1.769 -9.772 1.00 53.32 C ATOM 240 OE1 GLU A 17 4.204 -1.402 -9.637 1.00 74.22 O ATOM 241 OE2 GLU A 17 6.085 -1.488 -10.771 1.00 1.40 O ATOM 0 H GLU A 17 7.057 -0.938 -5.173 1.00 73.13 H new ATOM 0 HA GLU A 17 5.267 -3.062 -6.008 1.00 53.42 H new ATOM 0 HB2 GLU A 17 5.538 -0.998 -7.332 1.00 22.25 H new ATOM 0 HB3 GLU A 17 7.256 -1.303 -7.496 1.00 22.25 H new ATOM 0 HG2 GLU A 17 6.958 -3.020 -9.027 1.00 4.03 H new ATOM 0 HG3 GLU A 17 5.364 -3.434 -8.427 1.00 4.03 H new ATOM 248 N ARG A 18 8.339 -3.657 -5.431 1.00 73.34 N ATOM 249 CA ARG A 18 9.387 -4.670 -5.428 1.00 34.15 C ATOM 250 C ARG A 18 9.000 -5.851 -4.542 1.00 34.25 C ATOM 251 O ARG A 18 9.184 -7.008 -4.919 1.00 30.44 O ATOM 252 CB ARG A 18 10.707 -4.067 -4.944 1.00 32.20 C ATOM 253 CG ARG A 18 11.782 -4.012 -6.018 1.00 5.24 C ATOM 254 CD ARG A 18 12.942 -3.122 -5.600 1.00 33.12 C ATOM 255 NE ARG A 18 14.224 -3.817 -5.689 1.00 72.01 N ATOM 256 CZ ARG A 18 15.398 -3.217 -5.526 1.00 11.13 C ATOM 257 NH1 ARG A 18 15.451 -1.917 -5.268 1.00 33.51 N ATOM 258 NH2 ARG A 18 16.521 -3.917 -5.622 1.00 40.35 N ATOM 0 H ARG A 18 8.495 -2.886 -4.782 1.00 73.34 H new ATOM 0 HA ARG A 18 9.512 -5.030 -6.449 1.00 34.15 H new ATOM 0 HB2 ARG A 18 10.522 -3.058 -4.575 1.00 32.20 H new ATOM 0 HB3 ARG A 18 11.077 -4.652 -4.102 1.00 32.20 H new ATOM 0 HG2 ARG A 18 12.148 -5.019 -6.219 1.00 5.24 H new ATOM 0 HG3 ARG A 18 11.351 -3.638 -6.947 1.00 5.24 H new ATOM 0 HD2 ARG A 18 12.965 -2.235 -6.234 1.00 33.12 H new ATOM 0 HD3 ARG A 18 12.786 -2.779 -4.577 1.00 33.12 H new ATOM 0 HE ARG A 18 14.217 -4.818 -5.887 1.00 72.01 H new ATOM 0 HH11 ARG A 18 14.589 -1.376 -5.194 1.00 33.51 H new ATOM 0 HH12 ARG A 18 16.353 -1.458 -5.143 1.00 33.51 H new ATOM 0 HH21 ARG A 18 16.483 -4.917 -5.821 1.00 40.35 H new ATOM 0 HH22 ARG A 18 17.422 -3.455 -5.497 1.00 40.35 H new ATOM 272 N ILE A 19 8.466 -5.549 -3.363 1.00 33.45 N ATOM 273 CA ILE A 19 8.053 -6.585 -2.425 1.00 32.02 C ATOM 274 C ILE A 19 7.115 -7.587 -3.090 1.00 73.22 C ATOM 275 O ILE A 19 6.211 -7.207 -3.834 1.00 21.11 O ATOM 276 CB ILE A 19 7.352 -5.982 -1.193 1.00 21.20 C ATOM 277 CG1 ILE A 19 8.283 -4.999 -0.482 1.00 51.41 C ATOM 278 CG2 ILE A 19 6.911 -7.085 -0.243 1.00 64.12 C ATOM 279 CD1 ILE A 19 7.554 -4.007 0.399 1.00 13.50 C ATOM 0 H ILE A 19 8.309 -4.596 -3.035 1.00 33.45 H new ATOM 0 HA ILE A 19 8.959 -7.098 -2.103 1.00 32.02 H new ATOM 0 HB ILE A 19 6.466 -5.440 -1.525 1.00 21.20 H new ATOM 0 HG12 ILE A 19 8.994 -5.559 0.126 1.00 51.41 H new ATOM 0 HG13 ILE A 19 8.861 -4.454 -1.228 1.00 51.41 H new ATOM 0 HG21 ILE A 19 6.417 -6.644 0.623 1.00 64.12 H new ATOM 0 HG22 ILE A 19 6.217 -7.751 -0.756 1.00 64.12 H new ATOM 0 HG23 ILE A 19 7.782 -7.652 0.086 1.00 64.12 H new ATOM 0 HD11 ILE A 19 8.276 -3.341 0.872 1.00 13.50 H new ATOM 0 HD12 ILE A 19 6.863 -3.421 -0.207 1.00 13.50 H new ATOM 0 HD13 ILE A 19 6.998 -4.543 1.168 1.00 13.50 H new ATOM 291 N ARG A 20 7.336 -8.868 -2.815 1.00 21.23 N ATOM 292 CA ARG A 20 6.509 -9.926 -3.385 1.00 10.03 C ATOM 293 C ARG A 20 5.471 -10.408 -2.377 1.00 41.00 C ATOM 294 O ARG A 20 5.757 -10.530 -1.185 1.00 31.14 O ATOM 295 CB ARG A 20 7.383 -11.098 -3.835 1.00 32.44 C ATOM 296 CG ARG A 20 8.538 -10.688 -4.734 1.00 54.11 C ATOM 297 CD ARG A 20 9.858 -10.687 -3.979 1.00 74.10 C ATOM 298 NE ARG A 20 10.639 -11.893 -4.241 1.00 10.12 N ATOM 299 CZ ARG A 20 11.288 -12.116 -5.379 1.00 71.14 C ATOM 300 NH1 ARG A 20 11.250 -11.218 -6.354 1.00 33.41 N ATOM 301 NH2 ARG A 20 11.977 -13.238 -5.542 1.00 75.14 N ATOM 0 H ARG A 20 8.080 -9.199 -2.201 1.00 21.23 H new ATOM 0 HA ARG A 20 5.986 -9.518 -4.250 1.00 10.03 H new ATOM 0 HB2 ARG A 20 7.781 -11.602 -2.954 1.00 32.44 H new ATOM 0 HB3 ARG A 20 6.762 -11.821 -4.363 1.00 32.44 H new ATOM 0 HG2 ARG A 20 8.602 -11.372 -5.580 1.00 54.11 H new ATOM 0 HG3 ARG A 20 8.349 -9.694 -5.140 1.00 54.11 H new ATOM 0 HD2 ARG A 20 10.439 -9.810 -4.265 1.00 74.10 H new ATOM 0 HD3 ARG A 20 9.664 -10.606 -2.909 1.00 74.10 H new ATOM 0 HE ARG A 20 10.689 -12.603 -3.510 1.00 10.12 H new ATOM 0 HH11 ARG A 20 10.722 -10.354 -6.231 1.00 33.41 H new ATOM 0 HH12 ARG A 20 11.749 -11.391 -7.227 1.00 33.41 H new ATOM 0 HH21 ARG A 20 12.009 -13.930 -4.794 1.00 75.14 H new ATOM 0 HH22 ARG A 20 12.475 -13.408 -6.416 1.00 75.14 H new ATOM 315 N LEU A 21 4.265 -10.681 -2.863 1.00 2.43 N ATOM 316 CA LEU A 21 3.182 -11.150 -2.004 1.00 11.43 C ATOM 317 C LEU A 21 3.535 -12.490 -1.367 1.00 41.13 C ATOM 318 O LEU A 21 2.988 -12.856 -0.326 1.00 11.12 O ATOM 319 CB LEU A 21 1.888 -11.279 -2.808 1.00 24.44 C ATOM 320 CG LEU A 21 1.585 -10.140 -3.782 1.00 4.42 C ATOM 321 CD1 LEU A 21 0.231 -10.348 -4.443 1.00 11.00 C ATOM 322 CD2 LEU A 21 1.630 -8.799 -3.064 1.00 23.25 C ATOM 0 H LEU A 21 4.012 -10.586 -3.847 1.00 2.43 H new ATOM 0 HA LEU A 21 3.037 -10.418 -1.209 1.00 11.43 H new ATOM 0 HB2 LEU A 21 1.926 -12.211 -3.371 1.00 24.44 H new ATOM 0 HB3 LEU A 21 1.056 -11.363 -2.108 1.00 24.44 H new ATOM 0 HG LEU A 21 2.349 -10.139 -4.560 1.00 4.42 H new ATOM 0 HD11 LEU A 21 0.033 -9.527 -5.133 1.00 11.00 H new ATOM 0 HD12 LEU A 21 0.235 -11.290 -4.991 1.00 11.00 H new ATOM 0 HD13 LEU A 21 -0.546 -10.376 -3.679 1.00 11.00 H new ATOM 0 HD21 LEU A 21 1.412 -8.000 -3.772 1.00 23.25 H new ATOM 0 HD22 LEU A 21 0.888 -8.789 -2.266 1.00 23.25 H new ATOM 0 HD23 LEU A 21 2.622 -8.647 -2.639 1.00 23.25 H new ATOM 334 N ARG A 22 4.453 -13.215 -1.997 1.00 71.31 N ATOM 335 CA ARG A 22 4.879 -14.514 -1.490 1.00 63.52 C ATOM 336 C ARG A 22 6.399 -14.646 -1.542 1.00 43.45 C ATOM 337 O ARG A 22 7.083 -13.934 -2.276 1.00 3.33 O ATOM 338 CB ARG A 22 4.232 -15.639 -2.300 1.00 63.42 C ATOM 339 CG ARG A 22 3.058 -16.299 -1.595 1.00 63.41 C ATOM 340 CD ARG A 22 1.733 -15.906 -2.231 1.00 60.12 C ATOM 341 NE ARG A 22 0.595 -16.254 -1.383 1.00 1.45 N ATOM 342 CZ ARG A 22 0.107 -17.485 -1.279 1.00 52.14 C ATOM 343 NH1 ARG A 22 0.654 -18.479 -1.964 1.00 60.11 N ATOM 344 NH2 ARG A 22 -0.931 -17.723 -0.487 1.00 2.44 N ATOM 0 H ARG A 22 4.916 -12.925 -2.859 1.00 71.31 H new ATOM 0 HA ARG A 22 4.559 -14.593 -0.451 1.00 63.52 H new ATOM 0 HB2 ARG A 22 3.893 -15.239 -3.255 1.00 63.42 H new ATOM 0 HB3 ARG A 22 4.985 -16.396 -2.521 1.00 63.42 H new ATOM 0 HG2 ARG A 22 3.173 -17.382 -1.631 1.00 63.41 H new ATOM 0 HG3 ARG A 22 3.057 -16.013 -0.543 1.00 63.41 H new ATOM 0 HD2 ARG A 22 1.727 -14.833 -2.423 1.00 60.12 H new ATOM 0 HD3 ARG A 22 1.632 -16.403 -3.196 1.00 60.12 H new ATOM 0 HE ARG A 22 0.152 -15.512 -0.842 1.00 1.45 H new ATOM 0 HH11 ARG A 22 1.452 -18.300 -2.573 1.00 60.11 H new ATOM 0 HH12 ARG A 22 0.277 -19.423 -1.882 1.00 60.11 H new ATOM 0 HH21 ARG A 22 -1.354 -16.961 0.042 1.00 2.44 H new ATOM 0 HH22 ARG A 22 -1.306 -18.668 -0.407 1.00 2.44 H new ATOM 358 N PRO A 23 6.940 -15.578 -0.744 1.00 62.25 N ATOM 359 CA PRO A 23 8.383 -15.826 -0.680 1.00 1.41 C ATOM 360 C PRO A 23 8.917 -16.467 -1.956 1.00 74.11 C ATOM 361 O PRO A 23 10.053 -16.218 -2.359 1.00 14.42 O ATOM 362 CB PRO A 23 8.527 -16.787 0.503 1.00 3.13 C ATOM 363 CG PRO A 23 7.208 -17.474 0.594 1.00 33.43 C ATOM 364 CD PRO A 23 6.183 -16.464 0.157 1.00 61.53 C ATOM 0 HA PRO A 23 8.951 -14.902 -0.567 1.00 1.41 H new ATOM 0 HB2 PRO A 23 9.335 -17.500 0.338 1.00 3.13 H new ATOM 0 HB3 PRO A 23 8.759 -16.251 1.423 1.00 3.13 H new ATOM 0 HG2 PRO A 23 7.183 -18.357 -0.045 1.00 33.43 H new ATOM 0 HG3 PRO A 23 7.014 -17.812 1.612 1.00 33.43 H new ATOM 0 HD2 PRO A 23 5.345 -16.937 -0.355 1.00 61.53 H new ATOM 0 HD3 PRO A 23 5.770 -15.917 1.005 1.00 61.53 H new ATOM 372 N GLY A 24 8.092 -17.294 -2.589 1.00 61.22 N ATOM 373 CA GLY A 24 8.500 -17.958 -3.813 1.00 3.33 C ATOM 374 C GLY A 24 7.616 -17.597 -4.991 1.00 22.41 C ATOM 375 O GLY A 24 7.517 -18.353 -5.956 1.00 14.43 O ATOM 0 H GLY A 24 7.147 -17.516 -2.276 1.00 61.22 H new ATOM 0 HA2 GLY A 24 9.532 -17.690 -4.041 1.00 3.33 H new ATOM 0 HA3 GLY A 24 8.477 -19.037 -3.662 1.00 3.33 H new ATOM 379 N GLY A 25 6.969 -16.439 -4.911 1.00 41.33 N ATOM 380 CA GLY A 25 6.096 -16.000 -5.984 1.00 52.12 C ATOM 381 C GLY A 25 6.681 -14.845 -6.772 1.00 65.05 C ATOM 382 O GLY A 25 7.768 -14.359 -6.462 1.00 31.35 O ATOM 0 H GLY A 25 7.034 -15.796 -4.122 1.00 41.33 H new ATOM 0 HA2 GLY A 25 5.905 -16.835 -6.658 1.00 52.12 H new ATOM 0 HA3 GLY A 25 5.135 -15.701 -5.567 1.00 52.12 H new ATOM 386 N LYS A 26 5.957 -14.403 -7.795 1.00 52.13 N ATOM 387 CA LYS A 26 6.409 -13.297 -8.631 1.00 44.00 C ATOM 388 C LYS A 26 5.394 -12.158 -8.623 1.00 73.23 C ATOM 389 O LYS A 26 5.504 -11.209 -9.399 1.00 3.24 O ATOM 390 CB LYS A 26 6.641 -13.777 -10.065 1.00 45.31 C ATOM 391 CG LYS A 26 5.418 -14.420 -10.697 1.00 40.31 C ATOM 392 CD LYS A 26 5.617 -15.912 -10.902 1.00 62.21 C ATOM 393 CE LYS A 26 4.411 -16.546 -11.579 1.00 34.02 C ATOM 394 NZ LYS A 26 3.915 -17.733 -10.830 1.00 64.02 N ATOM 0 H LYS A 26 5.054 -14.794 -8.065 1.00 52.13 H new ATOM 0 HA LYS A 26 7.348 -12.926 -8.222 1.00 44.00 H new ATOM 0 HB2 LYS A 26 6.953 -12.930 -10.677 1.00 45.31 H new ATOM 0 HB3 LYS A 26 7.462 -14.494 -10.071 1.00 45.31 H new ATOM 0 HG2 LYS A 26 4.548 -14.252 -10.062 1.00 40.31 H new ATOM 0 HG3 LYS A 26 5.210 -13.944 -11.655 1.00 40.31 H new ATOM 0 HD2 LYS A 26 6.507 -16.082 -11.508 1.00 62.21 H new ATOM 0 HD3 LYS A 26 5.790 -16.393 -9.939 1.00 62.21 H new ATOM 0 HE2 LYS A 26 3.612 -15.809 -11.662 1.00 34.02 H new ATOM 0 HE3 LYS A 26 4.678 -16.842 -12.593 1.00 34.02 H new ATOM 0 HZ1 LYS A 26 3.093 -18.136 -11.323 1.00 64.02 H new ATOM 0 HZ2 LYS A 26 4.669 -18.447 -10.772 1.00 64.02 H new ATOM 0 HZ3 LYS A 26 3.636 -17.446 -9.870 1.00 64.02 H new ATOM 408 N LYS A 27 4.408 -12.258 -7.738 1.00 22.13 N ATOM 409 CA LYS A 27 3.374 -11.235 -7.626 1.00 51.34 C ATOM 410 C LYS A 27 3.845 -10.079 -6.748 1.00 31.32 C ATOM 411 O LYS A 27 4.350 -10.289 -5.645 1.00 33.15 O ATOM 412 CB LYS A 27 2.092 -11.838 -7.047 1.00 11.34 C ATOM 413 CG LYS A 27 0.852 -11.535 -7.871 1.00 34.03 C ATOM 414 CD LYS A 27 0.924 -12.180 -9.245 1.00 15.12 C ATOM 415 CE LYS A 27 -0.463 -12.448 -9.809 1.00 54.44 C ATOM 416 NZ LYS A 27 -0.865 -11.417 -10.806 1.00 54.20 N ATOM 0 H LYS A 27 4.303 -13.037 -7.088 1.00 22.13 H new ATOM 0 HA LYS A 27 3.169 -10.850 -8.625 1.00 51.34 H new ATOM 0 HB2 LYS A 27 2.211 -12.919 -6.969 1.00 11.34 H new ATOM 0 HB3 LYS A 27 1.947 -11.460 -6.035 1.00 11.34 H new ATOM 0 HG2 LYS A 27 -0.032 -11.895 -7.345 1.00 34.03 H new ATOM 0 HG3 LYS A 27 0.741 -10.456 -7.980 1.00 34.03 H new ATOM 0 HD2 LYS A 27 1.475 -11.530 -9.925 1.00 15.12 H new ATOM 0 HD3 LYS A 27 1.478 -13.116 -9.180 1.00 15.12 H new ATOM 0 HE2 LYS A 27 -0.481 -13.432 -10.277 1.00 54.44 H new ATOM 0 HE3 LYS A 27 -1.188 -12.469 -8.995 1.00 54.44 H new ATOM 0 HZ1 LYS A 27 -1.816 -11.635 -11.167 1.00 54.20 H new ATOM 0 HZ2 LYS A 27 -0.873 -10.481 -10.353 1.00 54.20 H new ATOM 0 HZ3 LYS A 27 -0.188 -11.414 -11.595 1.00 54.20 H new ATOM 430 N LYS A 28 3.676 -8.859 -7.245 1.00 42.23 N ATOM 431 CA LYS A 28 4.081 -7.669 -6.506 1.00 1.50 C ATOM 432 C LYS A 28 2.864 -6.899 -6.004 1.00 62.35 C ATOM 433 O LYS A 28 1.801 -6.925 -6.625 1.00 63.12 O ATOM 434 CB LYS A 28 4.941 -6.763 -7.390 1.00 5.42 C ATOM 435 CG LYS A 28 6.283 -7.369 -7.760 1.00 1.02 C ATOM 436 CD LYS A 28 6.825 -6.778 -9.050 1.00 32.33 C ATOM 437 CE LYS A 28 7.128 -7.860 -10.076 1.00 73.32 C ATOM 438 NZ LYS A 28 6.988 -7.358 -11.471 1.00 44.31 N ATOM 0 H LYS A 28 3.261 -8.668 -8.157 1.00 42.23 H new ATOM 0 HA LYS A 28 4.667 -7.989 -5.645 1.00 1.50 H new ATOM 0 HB2 LYS A 28 4.392 -6.533 -8.303 1.00 5.42 H new ATOM 0 HB3 LYS A 28 5.109 -5.818 -6.873 1.00 5.42 H new ATOM 0 HG2 LYS A 28 6.995 -7.198 -6.953 1.00 1.02 H new ATOM 0 HG3 LYS A 28 6.178 -8.448 -7.869 1.00 1.02 H new ATOM 0 HD2 LYS A 28 6.100 -6.077 -9.463 1.00 32.33 H new ATOM 0 HD3 LYS A 28 7.732 -6.211 -8.839 1.00 32.33 H new ATOM 0 HE2 LYS A 28 8.142 -8.231 -9.924 1.00 73.32 H new ATOM 0 HE3 LYS A 28 6.454 -8.703 -9.924 1.00 73.32 H new ATOM 0 HZ1 LYS A 28 7.203 -8.125 -12.139 1.00 44.31 H new ATOM 0 HZ2 LYS A 28 6.014 -7.027 -11.625 1.00 44.31 H new ATOM 0 HZ3 LYS A 28 7.649 -6.570 -11.624 1.00 44.31 H new ATOM 452 N TYR A 29 3.026 -6.215 -4.877 1.00 62.34 N ATOM 453 CA TYR A 29 1.939 -5.440 -4.290 1.00 65.40 C ATOM 454 C TYR A 29 1.483 -4.336 -5.240 1.00 55.03 C ATOM 455 O TYR A 29 2.298 -3.714 -5.922 1.00 53.25 O ATOM 456 CB TYR A 29 2.379 -4.832 -2.957 1.00 34.43 C ATOM 457 CG TYR A 29 2.126 -5.733 -1.769 1.00 54.42 C ATOM 458 CD1 TYR A 29 0.847 -5.884 -1.248 1.00 75.24 C ATOM 459 CD2 TYR A 29 3.167 -6.430 -1.166 1.00 11.54 C ATOM 460 CE1 TYR A 29 0.612 -6.705 -0.161 1.00 14.30 C ATOM 461 CE2 TYR A 29 2.940 -7.253 -0.081 1.00 52.12 C ATOM 462 CZ TYR A 29 1.662 -7.387 0.418 1.00 44.12 C ATOM 463 OH TYR A 29 1.431 -8.205 1.500 1.00 73.43 O ATOM 0 H TYR A 29 3.900 -6.181 -4.351 1.00 62.34 H new ATOM 0 HA TYR A 29 1.100 -6.113 -4.115 1.00 65.40 H new ATOM 0 HB2 TYR A 29 3.443 -4.600 -3.006 1.00 34.43 H new ATOM 0 HB3 TYR A 29 1.854 -3.889 -2.806 1.00 34.43 H new ATOM 0 HD1 TYR A 29 0.023 -5.351 -1.700 1.00 75.24 H new ATOM 0 HD2 TYR A 29 4.170 -6.326 -1.553 1.00 11.54 H new ATOM 0 HE1 TYR A 29 -0.388 -6.812 0.233 1.00 14.30 H new ATOM 0 HE2 TYR A 29 3.759 -7.789 0.374 1.00 52.12 H new ATOM 0 HH TYR A 29 0.524 -8.571 1.446 1.00 73.43 H new ATOM 473 N ARG A 30 0.177 -4.099 -5.277 1.00 52.01 N ATOM 474 CA ARG A 30 -0.389 -3.070 -6.143 1.00 73.01 C ATOM 475 C ARG A 30 -1.680 -2.512 -5.551 1.00 11.12 C ATOM 476 O ARG A 30 -2.211 -3.047 -4.577 1.00 0.52 O ATOM 477 CB ARG A 30 -0.657 -3.638 -7.537 1.00 64.41 C ATOM 478 CG ARG A 30 0.073 -2.901 -8.647 1.00 44.50 C ATOM 479 CD ARG A 30 1.145 -3.771 -9.284 1.00 43.43 C ATOM 480 NE ARG A 30 0.611 -4.589 -10.371 1.00 52.25 N ATOM 481 CZ ARG A 30 0.200 -4.091 -11.531 1.00 53.40 C ATOM 482 NH1 ARG A 30 0.261 -2.785 -11.756 1.00 52.15 N ATOM 483 NH2 ARG A 30 -0.273 -4.899 -12.471 1.00 75.42 N ATOM 0 H ARG A 30 -0.510 -4.605 -4.718 1.00 52.01 H new ATOM 0 HA ARG A 30 0.334 -2.258 -6.223 1.00 73.01 H new ATOM 0 HB2 ARG A 30 -0.363 -4.687 -7.555 1.00 64.41 H new ATOM 0 HB3 ARG A 30 -1.729 -3.604 -7.734 1.00 64.41 H new ATOM 0 HG2 ARG A 30 -0.642 -2.587 -9.408 1.00 44.50 H new ATOM 0 HG3 ARG A 30 0.529 -1.996 -8.245 1.00 44.50 H new ATOM 0 HD2 ARG A 30 1.946 -3.138 -9.666 1.00 43.43 H new ATOM 0 HD3 ARG A 30 1.585 -4.418 -8.525 1.00 43.43 H new ATOM 0 HE ARG A 30 0.551 -5.598 -10.231 1.00 52.25 H new ATOM 0 HH11 ARG A 30 0.625 -2.160 -11.037 1.00 52.15 H new ATOM 0 HH12 ARG A 30 -0.056 -2.406 -12.648 1.00 52.15 H new ATOM 0 HH21 ARG A 30 -0.321 -5.904 -12.303 1.00 75.42 H new ATOM 0 HH22 ARG A 30 -0.589 -4.515 -13.362 1.00 75.42 H new ATOM 497 N LEU A 31 -2.178 -1.434 -6.146 1.00 40.33 N ATOM 498 CA LEU A 31 -3.407 -0.801 -5.679 1.00 73.41 C ATOM 499 C LEU A 31 -4.508 -1.836 -5.475 1.00 24.32 C ATOM 500 O LEU A 31 -5.346 -1.700 -4.583 1.00 22.32 O ATOM 501 CB LEU A 31 -3.869 0.262 -6.677 1.00 12.10 C ATOM 502 CG LEU A 31 -3.164 1.616 -6.588 1.00 4.42 C ATOM 503 CD1 LEU A 31 -1.716 1.495 -7.036 1.00 2.22 C ATOM 504 CD2 LEU A 31 -3.898 2.654 -7.426 1.00 55.15 C ATOM 0 H LEU A 31 -1.750 -0.980 -6.953 1.00 40.33 H new ATOM 0 HA LEU A 31 -3.199 -0.324 -4.721 1.00 73.41 H new ATOM 0 HB2 LEU A 31 -3.733 -0.131 -7.685 1.00 12.10 H new ATOM 0 HB3 LEU A 31 -4.938 0.422 -6.539 1.00 12.10 H new ATOM 0 HG LEU A 31 -3.175 1.942 -5.548 1.00 4.42 H new ATOM 0 HD11 LEU A 31 -1.231 2.469 -6.966 1.00 2.22 H new ATOM 0 HD12 LEU A 31 -1.195 0.783 -6.396 1.00 2.22 H new ATOM 0 HD13 LEU A 31 -1.682 1.147 -8.068 1.00 2.22 H new ATOM 0 HD21 LEU A 31 -3.383 3.612 -7.352 1.00 55.15 H new ATOM 0 HD22 LEU A 31 -3.918 2.333 -8.467 1.00 55.15 H new ATOM 0 HD23 LEU A 31 -4.919 2.761 -7.060 1.00 55.15 H new ATOM 516 N LYS A 32 -4.500 -2.873 -6.307 1.00 61.04 N ATOM 517 CA LYS A 32 -5.495 -3.934 -6.217 1.00 63.21 C ATOM 518 C LYS A 32 -5.601 -4.463 -4.789 1.00 33.24 C ATOM 519 O LYS A 32 -6.686 -4.811 -4.324 1.00 23.43 O ATOM 520 CB LYS A 32 -5.141 -5.077 -7.171 1.00 53.44 C ATOM 521 CG LYS A 32 -6.348 -5.851 -7.670 1.00 45.41 C ATOM 522 CD LYS A 32 -6.131 -6.376 -9.079 1.00 32.13 C ATOM 523 CE LYS A 32 -7.157 -7.439 -9.442 1.00 12.21 C ATOM 524 NZ LYS A 32 -6.647 -8.813 -9.181 1.00 63.01 N ATOM 0 H LYS A 32 -3.814 -3.000 -7.051 1.00 61.04 H new ATOM 0 HA LYS A 32 -6.460 -3.516 -6.503 1.00 63.21 H new ATOM 0 HB2 LYS A 32 -4.602 -4.671 -8.027 1.00 53.44 H new ATOM 0 HB3 LYS A 32 -4.463 -5.765 -6.665 1.00 53.44 H new ATOM 0 HG2 LYS A 32 -6.550 -6.685 -6.997 1.00 45.41 H new ATOM 0 HG3 LYS A 32 -7.227 -5.207 -7.652 1.00 45.41 H new ATOM 0 HD2 LYS A 32 -6.193 -5.551 -9.789 1.00 32.13 H new ATOM 0 HD3 LYS A 32 -5.128 -6.794 -9.162 1.00 32.13 H new ATOM 0 HE2 LYS A 32 -8.069 -7.275 -8.868 1.00 12.21 H new ATOM 0 HE3 LYS A 32 -7.422 -7.344 -10.495 1.00 12.21 H new ATOM 0 HZ1 LYS A 32 -7.375 -9.509 -9.441 1.00 63.01 H new ATOM 0 HZ2 LYS A 32 -5.791 -8.979 -9.748 1.00 63.01 H new ATOM 0 HZ3 LYS A 32 -6.418 -8.912 -8.171 1.00 63.01 H new ATOM 538 N HIS A 33 -4.466 -4.519 -4.100 1.00 50.14 N ATOM 539 CA HIS A 33 -4.430 -5.003 -2.724 1.00 61.44 C ATOM 540 C HIS A 33 -4.825 -3.898 -1.749 1.00 54.35 C ATOM 541 O HIS A 33 -5.392 -4.236 -0.710 1.00 70.21 O ATOM 542 CB HIS A 33 -3.034 -5.527 -2.381 1.00 63.21 C ATOM 543 CG HIS A 33 -2.515 -6.533 -3.363 1.00 52.54 C ATOM 544 ND1 HIS A 33 -1.447 -6.285 -4.199 1.00 1.34 N ATOM 545 CD2 HIS A 33 -2.920 -7.794 -3.636 1.00 23.34 C ATOM 546 CE1 HIS A 33 -1.221 -7.350 -4.946 1.00 34.23 C ATOM 547 NE2 HIS A 33 -2.101 -8.281 -4.624 1.00 12.21 N ATOM 0 H HIS A 33 -3.559 -4.235 -4.471 1.00 50.14 H new ATOM 0 HA HIS A 33 -5.148 -5.818 -2.633 1.00 61.44 H new ATOM 0 HB2 HIS A 33 -2.341 -4.687 -2.333 1.00 63.21 H new ATOM 0 HB3 HIS A 33 -3.058 -5.978 -1.389 1.00 63.21 H new ATOM 0 HD2 HIS A 33 -3.737 -8.320 -3.164 1.00 23.34 H new ATOM 0 HE1 HIS A 33 -0.447 -7.444 -5.694 1.00 34.23 H new ATOM 0 HE2 HIS A 33 -2.162 -9.210 -5.041 1.00 12.21 H new ATOM 555 N ILE A 34 -4.549 -2.632 -2.045 1.00 22.02 N ATOM 556 CA ILE A 34 -4.908 -1.542 -1.145 1.00 40.13 C ATOM 557 C ILE A 34 -6.414 -1.304 -1.144 1.00 3.35 C ATOM 558 O ILE A 34 -7.013 -1.053 -0.098 1.00 0.30 O ATOM 559 CB ILE A 34 -4.192 -0.234 -1.532 1.00 61.14 C ATOM 560 CG1 ILE A 34 -2.716 -0.503 -1.828 1.00 73.43 C ATOM 561 CG2 ILE A 34 -4.336 0.796 -0.422 1.00 61.35 C ATOM 562 CD1 ILE A 34 -1.931 0.743 -2.171 1.00 25.14 C ATOM 0 H ILE A 34 -4.078 -2.336 -2.900 1.00 22.02 H new ATOM 0 HA ILE A 34 -4.589 -1.839 -0.146 1.00 40.13 H new ATOM 0 HB ILE A 34 -4.657 0.164 -2.434 1.00 61.14 H new ATOM 0 HG12 ILE A 34 -2.261 -0.982 -0.961 1.00 73.43 H new ATOM 0 HG13 ILE A 34 -2.643 -1.208 -2.656 1.00 73.43 H new ATOM 0 HG21 ILE A 34 -3.825 1.715 -0.710 1.00 61.35 H new ATOM 0 HG22 ILE A 34 -5.393 1.005 -0.255 1.00 61.35 H new ATOM 0 HG23 ILE A 34 -3.894 0.407 0.495 1.00 61.35 H new ATOM 0 HD11 ILE A 34 -0.893 0.476 -2.369 1.00 25.14 H new ATOM 0 HD12 ILE A 34 -2.360 1.211 -3.057 1.00 25.14 H new ATOM 0 HD13 ILE A 34 -1.973 1.441 -1.335 1.00 25.14 H new ATOM 574 N VAL A 35 -7.021 -1.385 -2.324 1.00 45.20 N ATOM 575 CA VAL A 35 -8.459 -1.180 -2.459 1.00 13.53 C ATOM 576 C VAL A 35 -9.239 -2.209 -1.648 1.00 11.25 C ATOM 577 O VAL A 35 -10.139 -1.859 -0.884 1.00 23.23 O ATOM 578 CB VAL A 35 -8.901 -1.261 -3.932 1.00 22.31 C ATOM 579 CG1 VAL A 35 -10.416 -1.176 -4.041 1.00 54.30 C ATOM 580 CG2 VAL A 35 -8.237 -0.162 -4.749 1.00 63.41 C ATOM 0 H VAL A 35 -6.540 -1.591 -3.200 1.00 45.20 H new ATOM 0 HA VAL A 35 -8.674 -0.182 -2.077 1.00 13.53 H new ATOM 0 HB VAL A 35 -8.585 -2.223 -4.335 1.00 22.31 H new ATOM 0 HG11 VAL A 35 -10.709 -1.235 -5.089 1.00 54.30 H new ATOM 0 HG12 VAL A 35 -10.867 -2.002 -3.491 1.00 54.30 H new ATOM 0 HG13 VAL A 35 -10.759 -0.230 -3.621 1.00 54.30 H new ATOM 0 HG21 VAL A 35 -8.561 -0.234 -5.787 1.00 63.41 H new ATOM 0 HG22 VAL A 35 -8.520 0.811 -4.348 1.00 63.41 H new ATOM 0 HG23 VAL A 35 -7.154 -0.275 -4.698 1.00 63.41 H new ATOM 590 N TRP A 36 -8.888 -3.478 -1.819 1.00 23.34 N ATOM 591 CA TRP A 36 -9.555 -4.559 -1.103 1.00 70.13 C ATOM 592 C TRP A 36 -9.406 -4.385 0.405 1.00 32.44 C ATOM 593 O TRP A 36 -10.271 -4.802 1.175 1.00 64.42 O ATOM 594 CB TRP A 36 -8.985 -5.911 -1.532 1.00 72.32 C ATOM 595 CG TRP A 36 -9.523 -7.062 -0.736 1.00 21.31 C ATOM 596 CD1 TRP A 36 -10.600 -7.841 -1.048 1.00 64.40 C ATOM 597 CD2 TRP A 36 -9.010 -7.562 0.504 1.00 11.15 C ATOM 598 NE1 TRP A 36 -10.788 -8.795 -0.077 1.00 23.45 N ATOM 599 CE2 TRP A 36 -9.825 -8.645 0.885 1.00 24.22 C ATOM 600 CE3 TRP A 36 -7.940 -7.200 1.327 1.00 22.34 C ATOM 601 CZ2 TRP A 36 -9.603 -9.367 2.055 1.00 30.43 C ATOM 602 CZ3 TRP A 36 -7.722 -7.919 2.487 1.00 54.44 C ATOM 603 CH2 TRP A 36 -8.548 -8.992 2.842 1.00 20.32 C ATOM 0 H TRP A 36 -8.145 -3.784 -2.447 1.00 23.34 H new ATOM 0 HA TRP A 36 -10.616 -4.526 -1.351 1.00 70.13 H new ATOM 0 HB2 TRP A 36 -9.207 -6.073 -2.587 1.00 72.32 H new ATOM 0 HB3 TRP A 36 -7.900 -5.887 -1.435 1.00 72.32 H new ATOM 0 HD1 TRP A 36 -11.214 -7.725 -1.929 1.00 64.40 H new ATOM 0 HE1 TRP A 36 -11.525 -9.500 -0.073 1.00 23.45 H new ATOM 0 HE3 TRP A 36 -7.296 -6.375 1.062 1.00 22.34 H new ATOM 0 HZ2 TRP A 36 -10.241 -10.194 2.331 1.00 30.43 H new ATOM 0 HZ3 TRP A 36 -6.899 -7.648 3.132 1.00 54.44 H new ATOM 0 HH2 TRP A 36 -8.349 -9.534 3.754 1.00 20.32 H new ATOM 614 N ALA A 37 -8.304 -3.768 0.819 1.00 5.10 N ATOM 615 CA ALA A 37 -8.045 -3.538 2.235 1.00 34.32 C ATOM 616 C ALA A 37 -8.898 -2.395 2.771 1.00 50.14 C ATOM 617 O ALA A 37 -9.517 -2.512 3.829 1.00 74.41 O ATOM 618 CB ALA A 37 -6.568 -3.248 2.460 1.00 51.10 C ATOM 0 H ALA A 37 -7.577 -3.419 0.195 1.00 5.10 H new ATOM 0 HA ALA A 37 -8.314 -4.443 2.780 1.00 34.32 H new ATOM 0 HB1 ALA A 37 -6.388 -3.078 3.522 1.00 51.10 H new ATOM 0 HB2 ALA A 37 -5.975 -4.098 2.123 1.00 51.10 H new ATOM 0 HB3 ALA A 37 -6.282 -2.360 1.897 1.00 51.10 H new ATOM 624 N ALA A 38 -8.927 -1.288 2.036 1.00 22.44 N ATOM 625 CA ALA A 38 -9.707 -0.123 2.437 1.00 71.43 C ATOM 626 C ALA A 38 -11.169 -0.493 2.664 1.00 74.00 C ATOM 627 O ALA A 38 -11.817 0.027 3.571 1.00 72.33 O ATOM 628 CB ALA A 38 -9.595 0.973 1.389 1.00 55.53 C ATOM 0 H ALA A 38 -8.419 -1.173 1.159 1.00 22.44 H new ATOM 0 HA ALA A 38 -9.303 0.248 3.379 1.00 71.43 H new ATOM 0 HB1 ALA A 38 -10.182 1.837 1.701 1.00 55.53 H new ATOM 0 HB2 ALA A 38 -8.551 1.265 1.278 1.00 55.53 H new ATOM 0 HB3 ALA A 38 -9.972 0.604 0.435 1.00 55.53 H new ATOM 634 N ASN A 39 -11.682 -1.395 1.833 1.00 51.33 N ATOM 635 CA ASN A 39 -13.069 -1.833 1.942 1.00 44.33 C ATOM 636 C ASN A 39 -13.343 -2.431 3.319 1.00 73.43 C ATOM 637 O ASN A 39 -14.457 -2.344 3.836 1.00 40.31 O ATOM 638 CB ASN A 39 -13.389 -2.859 0.854 1.00 70.05 C ATOM 639 CG ASN A 39 -14.719 -3.550 1.084 1.00 22.22 C ATOM 640 OD1 ASN A 39 -15.740 -2.898 1.304 1.00 50.40 O ATOM 641 ND2 ASN A 39 -14.713 -4.876 1.034 1.00 62.45 N ATOM 0 H ASN A 39 -11.158 -1.837 1.077 1.00 51.33 H new ATOM 0 HA ASN A 39 -13.711 -0.962 1.809 1.00 44.33 H new ATOM 0 HB2 ASN A 39 -13.404 -2.363 -0.116 1.00 70.05 H new ATOM 0 HB3 ASN A 39 -12.596 -3.606 0.818 1.00 70.05 H new ATOM 0 HD21 ASN A 39 -15.578 -5.396 1.181 1.00 62.45 H new ATOM 0 HD22 ASN A 39 -13.843 -5.375 0.849 1.00 62.45 H new ATOM 648 N LYS A 40 -12.319 -3.042 3.907 1.00 22.25 N ATOM 649 CA LYS A 40 -12.447 -3.654 5.224 1.00 24.34 C ATOM 650 C LYS A 40 -12.517 -2.591 6.314 1.00 52.22 C ATOM 651 O LYS A 40 -13.341 -2.676 7.227 1.00 35.22 O ATOM 652 CB LYS A 40 -11.269 -4.595 5.488 1.00 3.10 C ATOM 653 CG LYS A 40 -11.685 -6.029 5.762 1.00 33.34 C ATOM 654 CD LYS A 40 -12.265 -6.688 4.521 1.00 45.12 C ATOM 655 CE LYS A 40 -12.032 -8.191 4.527 1.00 44.40 C ATOM 656 NZ LYS A 40 -13.313 -8.951 4.475 1.00 34.22 N ATOM 0 H LYS A 40 -11.391 -3.126 3.492 1.00 22.25 H new ATOM 0 HA LYS A 40 -13.374 -4.228 5.242 1.00 24.34 H new ATOM 0 HB2 LYS A 40 -10.601 -4.578 4.627 1.00 3.10 H new ATOM 0 HB3 LYS A 40 -10.701 -4.222 6.340 1.00 3.10 H new ATOM 0 HG2 LYS A 40 -10.823 -6.599 6.109 1.00 33.34 H new ATOM 0 HG3 LYS A 40 -12.423 -6.048 6.564 1.00 33.34 H new ATOM 0 HD2 LYS A 40 -13.334 -6.485 4.466 1.00 45.12 H new ATOM 0 HD3 LYS A 40 -11.812 -6.252 3.631 1.00 45.12 H new ATOM 0 HE2 LYS A 40 -11.412 -8.466 3.674 1.00 44.40 H new ATOM 0 HE3 LYS A 40 -11.481 -8.470 5.425 1.00 44.40 H new ATOM 0 HZ1 LYS A 40 -13.272 -9.746 5.144 1.00 34.22 H new ATOM 0 HZ2 LYS A 40 -14.100 -8.322 4.732 1.00 34.22 H new ATOM 0 HZ3 LYS A 40 -13.461 -9.316 3.512 1.00 34.22 H new ATOM 670 N LEU A 41 -11.650 -1.589 6.213 1.00 70.24 N ATOM 671 CA LEU A 41 -11.615 -0.506 7.191 1.00 61.54 C ATOM 672 C LEU A 41 -12.994 0.123 7.356 1.00 1.31 C ATOM 673 O LEU A 41 -13.315 0.671 8.411 1.00 51.42 O ATOM 674 CB LEU A 41 -10.602 0.558 6.766 1.00 71.32 C ATOM 675 CG LEU A 41 -9.128 0.190 6.942 1.00 72.14 C ATOM 676 CD1 LEU A 41 -8.270 0.923 5.924 1.00 11.23 C ATOM 677 CD2 LEU A 41 -8.665 0.504 8.357 1.00 54.13 C ATOM 0 H LEU A 41 -10.962 -1.504 5.465 1.00 70.24 H new ATOM 0 HA LEU A 41 -11.311 -0.925 8.150 1.00 61.54 H new ATOM 0 HB2 LEU A 41 -10.774 0.796 5.716 1.00 71.32 H new ATOM 0 HB3 LEU A 41 -10.799 1.467 7.335 1.00 71.32 H new ATOM 0 HG LEU A 41 -9.019 -0.882 6.775 1.00 72.14 H new ATOM 0 HD11 LEU A 41 -7.224 0.649 6.065 1.00 11.23 H new ATOM 0 HD12 LEU A 41 -8.585 0.648 4.917 1.00 11.23 H new ATOM 0 HD13 LEU A 41 -8.384 1.999 6.059 1.00 11.23 H new ATOM 0 HD21 LEU A 41 -7.614 0.236 8.464 1.00 54.13 H new ATOM 0 HD22 LEU A 41 -8.789 1.569 8.553 1.00 54.13 H new ATOM 0 HD23 LEU A 41 -9.260 -0.068 9.070 1.00 54.13 H new ATOM 689 N ASP A 42 -13.805 0.040 6.308 1.00 4.33 N ATOM 690 CA ASP A 42 -15.152 0.600 6.337 1.00 62.22 C ATOM 691 C ASP A 42 -16.082 -0.266 7.182 1.00 3.43 C ATOM 692 O ASP A 42 -16.788 0.236 8.057 1.00 34.02 O ATOM 693 CB ASP A 42 -15.704 0.729 4.916 1.00 42.12 C ATOM 694 CG ASP A 42 -16.021 2.164 4.547 1.00 11.34 C ATOM 695 OD1 ASP A 42 -15.076 2.974 4.447 1.00 41.54 O ATOM 696 OD2 ASP A 42 -17.215 2.478 4.356 1.00 52.23 O ATOM 0 H ASP A 42 -13.554 -0.409 5.427 1.00 4.33 H new ATOM 0 HA ASP A 42 -15.098 1.591 6.788 1.00 62.22 H new ATOM 0 HB2 ASP A 42 -14.978 0.327 4.209 1.00 42.12 H new ATOM 0 HB3 ASP A 42 -16.607 0.125 4.824 1.00 42.12 H new ATOM 701 N ARG A 43 -16.078 -1.567 6.911 1.00 62.25 N ATOM 702 CA ARG A 43 -16.923 -2.502 7.645 1.00 12.20 C ATOM 703 C ARG A 43 -16.745 -2.330 9.150 1.00 52.33 C ATOM 704 O ARG A 43 -17.636 -2.660 9.933 1.00 72.33 O ATOM 705 CB ARG A 43 -16.596 -3.941 7.243 1.00 13.24 C ATOM 706 CG ARG A 43 -17.704 -4.621 6.455 1.00 3.32 C ATOM 707 CD ARG A 43 -18.834 -5.079 7.364 1.00 3.53 C ATOM 708 NE ARG A 43 -19.158 -6.489 7.166 1.00 54.31 N ATOM 709 CZ ARG A 43 -20.286 -7.050 7.588 1.00 12.43 C ATOM 710 NH1 ARG A 43 -21.193 -6.323 8.226 1.00 3.04 N ATOM 711 NH2 ARG A 43 -20.508 -8.339 7.370 1.00 40.03 N ATOM 0 H ARG A 43 -15.500 -1.997 6.189 1.00 62.25 H new ATOM 0 HA ARG A 43 -17.962 -2.289 7.393 1.00 12.20 H new ATOM 0 HB2 ARG A 43 -15.683 -3.944 6.647 1.00 13.24 H new ATOM 0 HB3 ARG A 43 -16.392 -4.523 8.142 1.00 13.24 H new ATOM 0 HG2 ARG A 43 -18.095 -3.932 5.706 1.00 3.32 H new ATOM 0 HG3 ARG A 43 -17.297 -5.478 5.918 1.00 3.32 H new ATOM 0 HD2 ARG A 43 -18.552 -4.914 8.404 1.00 3.53 H new ATOM 0 HD3 ARG A 43 -19.720 -4.473 7.174 1.00 3.53 H new ATOM 0 HE ARG A 43 -18.481 -7.075 6.677 1.00 54.31 H new ATOM 0 HH11 ARG A 43 -21.025 -5.331 8.394 1.00 3.04 H new ATOM 0 HH12 ARG A 43 -22.058 -6.756 8.549 1.00 3.04 H new ATOM 0 HH21 ARG A 43 -19.813 -8.900 6.878 1.00 40.03 H new ATOM 0 HH22 ARG A 43 -21.374 -8.769 7.694 1.00 40.03 H new ATOM 725 N PHE A 44 -15.589 -1.810 9.549 1.00 74.31 N ATOM 726 CA PHE A 44 -15.292 -1.595 10.960 1.00 44.02 C ATOM 727 C PHE A 44 -15.523 -0.138 11.349 1.00 65.42 C ATOM 728 O PHE A 44 -16.090 0.153 12.402 1.00 41.21 O ATOM 729 CB PHE A 44 -13.848 -1.994 11.267 1.00 15.33 C ATOM 730 CG PHE A 44 -13.581 -3.462 11.099 1.00 44.22 C ATOM 731 CD1 PHE A 44 -14.218 -4.392 11.906 1.00 40.32 C ATOM 732 CD2 PHE A 44 -12.697 -3.914 10.134 1.00 12.32 C ATOM 733 CE1 PHE A 44 -13.974 -5.743 11.755 1.00 4.24 C ATOM 734 CE2 PHE A 44 -12.450 -5.265 9.977 1.00 53.21 C ATOM 735 CZ PHE A 44 -13.091 -6.181 10.788 1.00 53.41 C ATOM 0 H PHE A 44 -14.842 -1.529 8.914 1.00 74.31 H new ATOM 0 HA PHE A 44 -15.966 -2.220 11.546 1.00 44.02 H new ATOM 0 HB2 PHE A 44 -13.179 -1.434 10.614 1.00 15.33 H new ATOM 0 HB3 PHE A 44 -13.610 -1.705 12.291 1.00 15.33 H new ATOM 0 HD1 PHE A 44 -14.913 -4.056 12.661 1.00 40.32 H new ATOM 0 HD2 PHE A 44 -12.194 -3.202 9.496 1.00 12.32 H new ATOM 0 HE1 PHE A 44 -14.474 -6.457 12.393 1.00 4.24 H new ATOM 0 HE2 PHE A 44 -11.757 -5.604 9.221 1.00 53.21 H new ATOM 0 HZ PHE A 44 -12.902 -7.237 10.666 1.00 53.41 H new ATOM 745 N GLY A 45 -15.081 0.775 10.490 1.00 74.31 N ATOM 746 CA GLY A 45 -15.248 2.191 10.761 1.00 12.44 C ATOM 747 C GLY A 45 -13.995 2.990 10.461 1.00 40.21 C ATOM 748 O GLY A 45 -14.065 4.081 9.893 1.00 61.32 O ATOM 0 H GLY A 45 -14.610 0.560 9.611 1.00 74.31 H new ATOM 0 HA2 GLY A 45 -16.073 2.577 10.163 1.00 12.44 H new ATOM 0 HA3 GLY A 45 -15.521 2.328 11.807 1.00 12.44 H new ATOM 752 N LEU A 46 -12.844 2.448 10.846 1.00 23.12 N ATOM 753 CA LEU A 46 -11.569 3.119 10.617 1.00 33.21 C ATOM 754 C LEU A 46 -11.523 3.742 9.225 1.00 41.25 C ATOM 755 O LEU A 46 -12.030 3.169 8.261 1.00 13.22 O ATOM 756 CB LEU A 46 -10.414 2.131 10.784 1.00 34.52 C ATOM 757 CG LEU A 46 -9.726 2.126 12.150 1.00 63.23 C ATOM 758 CD1 LEU A 46 -9.905 0.778 12.832 1.00 54.34 C ATOM 759 CD2 LEU A 46 -8.249 2.461 12.006 1.00 31.35 C ATOM 0 H LEU A 46 -12.768 1.547 11.318 1.00 23.12 H new ATOM 0 HA LEU A 46 -11.468 3.915 11.354 1.00 33.21 H new ATOM 0 HB2 LEU A 46 -10.790 1.127 10.585 1.00 34.52 H new ATOM 0 HB3 LEU A 46 -9.664 2.347 10.023 1.00 34.52 H new ATOM 0 HG LEU A 46 -10.191 2.890 12.772 1.00 63.23 H new ATOM 0 HD11 LEU A 46 -9.409 0.793 13.803 1.00 54.34 H new ATOM 0 HD12 LEU A 46 -10.968 0.579 12.970 1.00 54.34 H new ATOM 0 HD13 LEU A 46 -9.467 -0.004 12.212 1.00 54.34 H new ATOM 0 HD21 LEU A 46 -7.777 2.453 12.988 1.00 31.35 H new ATOM 0 HD22 LEU A 46 -7.769 1.721 11.366 1.00 31.35 H new ATOM 0 HD23 LEU A 46 -8.142 3.450 11.560 1.00 31.35 H new ATOM 771 N ALA A 47 -10.910 4.917 9.129 1.00 72.30 N ATOM 772 CA ALA A 47 -10.794 5.616 7.855 1.00 33.22 C ATOM 773 C ALA A 47 -9.724 4.979 6.975 1.00 72.31 C ATOM 774 O ALA A 47 -8.658 4.598 7.457 1.00 52.31 O ATOM 775 CB ALA A 47 -10.484 7.087 8.086 1.00 31.13 C ATOM 0 H ALA A 47 -10.486 5.405 9.918 1.00 72.30 H new ATOM 0 HA ALA A 47 -11.749 5.535 7.336 1.00 33.22 H new ATOM 0 HB1 ALA A 47 -10.400 7.596 7.126 1.00 31.13 H new ATOM 0 HB2 ALA A 47 -11.286 7.541 8.669 1.00 31.13 H new ATOM 0 HB3 ALA A 47 -9.544 7.180 8.629 1.00 31.13 H new ATOM 781 N GLU A 48 -10.015 4.866 5.683 1.00 23.30 N ATOM 782 CA GLU A 48 -9.078 4.273 4.737 1.00 15.50 C ATOM 783 C GLU A 48 -7.898 5.207 4.483 1.00 51.42 C ATOM 784 O GLU A 48 -6.842 4.779 4.019 1.00 55.31 O ATOM 785 CB GLU A 48 -9.783 3.955 3.417 1.00 34.01 C ATOM 786 CG GLU A 48 -10.441 5.162 2.771 1.00 14.42 C ATOM 787 CD GLU A 48 -11.191 4.808 1.502 1.00 54.40 C ATOM 788 OE1 GLU A 48 -10.790 3.838 0.826 1.00 15.31 O ATOM 789 OE2 GLU A 48 -12.179 5.503 1.184 1.00 11.20 O ATOM 0 H GLU A 48 -10.893 5.178 5.268 1.00 23.30 H new ATOM 0 HA GLU A 48 -8.701 3.347 5.171 1.00 15.50 H new ATOM 0 HB2 GLU A 48 -9.059 3.531 2.721 1.00 34.01 H new ATOM 0 HB3 GLU A 48 -10.540 3.191 3.594 1.00 34.01 H new ATOM 0 HG2 GLU A 48 -11.131 5.618 3.481 1.00 14.42 H new ATOM 0 HG3 GLU A 48 -9.679 5.907 2.542 1.00 14.42 H new ATOM 796 N SER A 49 -8.086 6.486 4.793 1.00 0.42 N ATOM 797 CA SER A 49 -7.040 7.483 4.594 1.00 61.31 C ATOM 798 C SER A 49 -5.887 7.260 5.568 1.00 51.42 C ATOM 799 O SER A 49 -4.829 7.881 5.449 1.00 21.34 O ATOM 800 CB SER A 49 -7.608 8.892 4.773 1.00 21.21 C ATOM 801 OG SER A 49 -7.075 9.783 3.807 1.00 65.31 O ATOM 0 H SER A 49 -8.953 6.856 5.183 1.00 0.42 H new ATOM 0 HA SER A 49 -6.661 7.379 3.577 1.00 61.31 H new ATOM 0 HB2 SER A 49 -8.694 8.864 4.686 1.00 21.21 H new ATOM 0 HB3 SER A 49 -7.378 9.256 5.774 1.00 21.21 H new ATOM 0 HG SER A 49 -7.455 10.676 3.941 1.00 65.31 H new ATOM 807 N LEU A 50 -6.098 6.371 6.532 1.00 74.21 N ATOM 808 CA LEU A 50 -5.076 6.065 7.528 1.00 23.24 C ATOM 809 C LEU A 50 -4.048 5.086 6.970 1.00 64.41 C ATOM 810 O LEU A 50 -3.108 4.694 7.663 1.00 64.14 O ATOM 811 CB LEU A 50 -5.722 5.483 8.787 1.00 10.44 C ATOM 812 CG LEU A 50 -6.716 6.392 9.512 1.00 23.33 C ATOM 813 CD1 LEU A 50 -7.487 5.607 10.562 1.00 43.42 C ATOM 814 CD2 LEU A 50 -5.995 7.572 10.148 1.00 23.52 C ATOM 0 H LEU A 50 -6.967 5.849 6.646 1.00 74.21 H new ATOM 0 HA LEU A 50 -4.564 6.992 7.785 1.00 23.24 H new ATOM 0 HB2 LEU A 50 -6.235 4.561 8.515 1.00 10.44 H new ATOM 0 HB3 LEU A 50 -4.930 5.213 9.486 1.00 10.44 H new ATOM 0 HG LEU A 50 -7.426 6.778 8.781 1.00 23.33 H new ATOM 0 HD11 LEU A 50 -8.190 6.269 11.068 1.00 43.42 H new ATOM 0 HD12 LEU A 50 -8.034 4.796 10.081 1.00 43.42 H new ATOM 0 HD13 LEU A 50 -6.790 5.192 11.290 1.00 43.42 H new ATOM 0 HD21 LEU A 50 -6.718 8.208 10.659 1.00 23.52 H new ATOM 0 HD22 LEU A 50 -5.262 7.206 10.867 1.00 23.52 H new ATOM 0 HD23 LEU A 50 -5.488 8.149 9.374 1.00 23.52 H new ATOM 826 N LEU A 51 -4.233 4.694 5.714 1.00 62.05 N ATOM 827 CA LEU A 51 -3.321 3.761 5.062 1.00 31.01 C ATOM 828 C LEU A 51 -2.082 4.483 4.544 1.00 12.52 C ATOM 829 O LEU A 51 -1.201 3.871 3.942 1.00 15.20 O ATOM 830 CB LEU A 51 -4.028 3.046 3.909 1.00 42.13 C ATOM 831 CG LEU A 51 -4.654 1.692 4.242 1.00 71.34 C ATOM 832 CD1 LEU A 51 -5.745 1.347 3.241 1.00 35.43 C ATOM 833 CD2 LEU A 51 -3.589 0.604 4.269 1.00 44.33 C ATOM 0 H LEU A 51 -5.006 5.008 5.127 1.00 62.05 H new ATOM 0 HA LEU A 51 -3.007 3.023 5.800 1.00 31.01 H new ATOM 0 HB2 LEU A 51 -4.811 3.701 3.527 1.00 42.13 H new ATOM 0 HB3 LEU A 51 -3.310 2.903 3.102 1.00 42.13 H new ATOM 0 HG LEU A 51 -5.105 1.756 5.232 1.00 71.34 H new ATOM 0 HD11 LEU A 51 -6.179 0.380 3.495 1.00 35.43 H new ATOM 0 HD12 LEU A 51 -6.521 2.112 3.271 1.00 35.43 H new ATOM 0 HD13 LEU A 51 -5.318 1.302 2.239 1.00 35.43 H new ATOM 0 HD21 LEU A 51 -4.053 -0.353 4.508 1.00 44.33 H new ATOM 0 HD22 LEU A 51 -3.108 0.541 3.293 1.00 44.33 H new ATOM 0 HD23 LEU A 51 -2.842 0.844 5.026 1.00 44.33 H new ATOM 845 N GLU A 52 -2.021 5.790 4.783 1.00 4.15 N ATOM 846 CA GLU A 52 -0.889 6.596 4.340 1.00 65.12 C ATOM 847 C GLU A 52 -0.144 7.188 5.533 1.00 53.42 C ATOM 848 O GLU A 52 0.358 8.310 5.470 1.00 45.40 O ATOM 849 CB GLU A 52 -1.364 7.716 3.414 1.00 12.51 C ATOM 850 CG GLU A 52 -2.434 8.603 4.029 1.00 35.35 C ATOM 851 CD GLU A 52 -2.277 10.061 3.642 1.00 2.13 C ATOM 852 OE1 GLU A 52 -1.512 10.775 4.322 1.00 53.04 O ATOM 853 OE2 GLU A 52 -2.921 10.487 2.660 1.00 15.31 O ATOM 0 H GLU A 52 -2.742 6.313 5.281 1.00 4.15 H new ATOM 0 HA GLU A 52 -0.205 5.947 3.792 1.00 65.12 H new ATOM 0 HB2 GLU A 52 -0.509 8.332 3.135 1.00 12.51 H new ATOM 0 HB3 GLU A 52 -1.753 7.276 2.496 1.00 12.51 H new ATOM 0 HG2 GLU A 52 -3.417 8.251 3.715 1.00 35.35 H new ATOM 0 HG3 GLU A 52 -2.395 8.513 5.115 1.00 35.35 H new ATOM 860 N SER A 53 -0.077 6.426 6.620 1.00 23.45 N ATOM 861 CA SER A 53 0.602 6.875 7.829 1.00 51.43 C ATOM 862 C SER A 53 0.829 5.713 8.790 1.00 21.43 C ATOM 863 O SER A 53 -0.062 4.893 9.013 1.00 62.13 O ATOM 864 CB SER A 53 -0.212 7.971 8.519 1.00 54.41 C ATOM 865 OG SER A 53 -0.877 7.467 9.665 1.00 33.02 O ATOM 0 H SER A 53 -0.485 5.494 6.688 1.00 23.45 H new ATOM 0 HA SER A 53 1.573 7.279 7.541 1.00 51.43 H new ATOM 0 HB2 SER A 53 0.446 8.790 8.808 1.00 54.41 H new ATOM 0 HB3 SER A 53 -0.943 8.380 7.821 1.00 54.41 H new ATOM 0 HG SER A 53 -0.475 7.851 10.472 1.00 33.02 H new ATOM 871 N LYS A 54 2.029 5.646 9.357 1.00 52.20 N ATOM 872 CA LYS A 54 2.375 4.585 10.295 1.00 44.04 C ATOM 873 C LYS A 54 1.405 4.563 11.473 1.00 34.02 C ATOM 874 O LYS A 54 0.861 3.515 11.820 1.00 15.35 O ATOM 875 CB LYS A 54 3.806 4.773 10.803 1.00 75.40 C ATOM 876 CG LYS A 54 4.084 6.166 11.339 1.00 35.33 C ATOM 877 CD LYS A 54 5.569 6.383 11.586 1.00 65.40 C ATOM 878 CE LYS A 54 6.205 7.201 10.473 1.00 60.43 C ATOM 879 NZ LYS A 54 6.098 8.664 10.730 1.00 60.24 N ATOM 0 H LYS A 54 2.779 6.315 9.183 1.00 52.20 H new ATOM 0 HA LYS A 54 2.304 3.632 9.770 1.00 44.04 H new ATOM 0 HB2 LYS A 54 4.002 4.045 11.590 1.00 75.40 H new ATOM 0 HB3 LYS A 54 4.501 4.560 9.991 1.00 75.40 H new ATOM 0 HG2 LYS A 54 3.720 6.909 10.630 1.00 35.33 H new ATOM 0 HG3 LYS A 54 3.534 6.316 12.268 1.00 35.33 H new ATOM 0 HD2 LYS A 54 5.710 6.892 12.539 1.00 65.40 H new ATOM 0 HD3 LYS A 54 6.071 5.419 11.663 1.00 65.40 H new ATOM 0 HE2 LYS A 54 7.255 6.925 10.374 1.00 60.43 H new ATOM 0 HE3 LYS A 54 5.722 6.962 9.525 1.00 60.43 H new ATOM 0 HZ1 LYS A 54 6.543 9.187 9.949 1.00 60.24 H new ATOM 0 HZ2 LYS A 54 5.095 8.932 10.799 1.00 60.24 H new ATOM 0 HZ3 LYS A 54 6.581 8.896 11.621 1.00 60.24 H new ATOM 893 N GLU A 55 1.195 5.726 12.082 1.00 23.12 N ATOM 894 CA GLU A 55 0.289 5.837 13.220 1.00 52.50 C ATOM 895 C GLU A 55 -1.069 5.220 12.898 1.00 73.41 C ATOM 896 O GLU A 55 -1.600 4.425 13.673 1.00 14.43 O ATOM 897 CB GLU A 55 0.113 7.305 13.617 1.00 1.54 C ATOM 898 CG GLU A 55 -0.520 7.493 14.985 1.00 64.12 C ATOM 899 CD GLU A 55 -1.940 8.020 14.903 1.00 21.05 C ATOM 900 OE1 GLU A 55 -2.696 7.554 14.025 1.00 22.30 O ATOM 901 OE2 GLU A 55 -2.295 8.898 15.717 1.00 51.34 O ATOM 0 H GLU A 55 1.639 6.603 11.807 1.00 23.12 H new ATOM 0 HA GLU A 55 0.727 5.291 14.055 1.00 52.50 H new ATOM 0 HB2 GLU A 55 1.087 7.795 13.606 1.00 1.54 H new ATOM 0 HB3 GLU A 55 -0.503 7.804 12.869 1.00 1.54 H new ATOM 0 HG2 GLU A 55 -0.520 6.541 15.515 1.00 64.12 H new ATOM 0 HG3 GLU A 55 0.087 8.184 15.570 1.00 64.12 H new ATOM 908 N GLY A 56 -1.624 5.591 11.749 1.00 41.32 N ATOM 909 CA GLY A 56 -2.915 5.065 11.345 1.00 41.41 C ATOM 910 C GLY A 56 -2.900 3.559 11.177 1.00 41.51 C ATOM 911 O GLY A 56 -3.843 2.874 11.575 1.00 2.21 O ATOM 0 H GLY A 56 -1.203 6.246 11.090 1.00 41.32 H new ATOM 0 HA2 GLY A 56 -3.664 5.337 12.089 1.00 41.41 H new ATOM 0 HA3 GLY A 56 -3.215 5.529 10.406 1.00 41.41 H new ATOM 915 N CYS A 57 -1.830 3.042 10.585 1.00 3.33 N ATOM 916 CA CYS A 57 -1.697 1.607 10.362 1.00 24.25 C ATOM 917 C CYS A 57 -1.474 0.871 11.678 1.00 72.23 C ATOM 918 O CYS A 57 -1.852 -0.292 11.823 1.00 4.54 O ATOM 919 CB CYS A 57 -0.541 1.323 9.402 1.00 1.00 C ATOM 920 SG CYS A 57 -1.062 0.816 7.747 1.00 63.22 S ATOM 0 H CYS A 57 -1.041 3.595 10.250 1.00 3.33 H new ATOM 0 HA CYS A 57 -2.625 1.246 9.918 1.00 24.25 H new ATOM 0 HB2 CYS A 57 0.076 2.218 9.319 1.00 1.00 H new ATOM 0 HB3 CYS A 57 0.087 0.541 9.829 1.00 1.00 H new ATOM 0 HG CYS A 57 -0.973 -0.477 7.641 1.00 63.22 H new ATOM 926 N GLN A 58 -0.856 1.555 12.636 1.00 15.00 N ATOM 927 CA GLN A 58 -0.579 0.965 13.940 1.00 72.53 C ATOM 928 C GLN A 58 -1.874 0.590 14.653 1.00 25.41 C ATOM 929 O GLN A 58 -1.986 -0.489 15.235 1.00 21.30 O ATOM 930 CB GLN A 58 0.229 1.935 14.802 1.00 44.43 C ATOM 931 CG GLN A 58 1.134 1.246 15.810 1.00 35.33 C ATOM 932 CD GLN A 58 0.864 1.686 17.235 1.00 3.31 C ATOM 933 OE1 GLN A 58 0.572 2.854 17.491 1.00 52.53 O ATOM 934 NE2 GLN A 58 0.958 0.750 18.172 1.00 11.41 N ATOM 0 H GLN A 58 -0.538 2.519 12.533 1.00 15.00 H new ATOM 0 HA GLN A 58 0.005 0.058 13.783 1.00 72.53 H new ATOM 0 HB2 GLN A 58 0.836 2.565 14.153 1.00 44.43 H new ATOM 0 HB3 GLN A 58 -0.458 2.594 15.334 1.00 44.43 H new ATOM 0 HG2 GLN A 58 0.999 0.167 15.735 1.00 35.33 H new ATOM 0 HG3 GLN A 58 2.174 1.455 15.560 1.00 35.33 H new ATOM 0 HE21 GLN A 58 1.203 -0.206 17.915 1.00 11.41 H new ATOM 0 HE22 GLN A 58 0.785 0.987 19.149 1.00 11.41 H new ATOM 943 N LYS A 59 -2.852 1.489 14.604 1.00 31.21 N ATOM 944 CA LYS A 59 -4.141 1.253 15.244 1.00 55.23 C ATOM 945 C LYS A 59 -4.923 0.170 14.510 1.00 64.41 C ATOM 946 O LYS A 59 -5.840 -0.435 15.069 1.00 11.41 O ATOM 947 CB LYS A 59 -4.956 2.547 15.286 1.00 25.14 C ATOM 948 CG LYS A 59 -4.704 3.385 16.527 1.00 53.51 C ATOM 949 CD LYS A 59 -5.507 2.882 17.714 1.00 65.23 C ATOM 950 CE LYS A 59 -6.962 3.317 17.628 1.00 52.44 C ATOM 951 NZ LYS A 59 -7.889 2.255 18.110 1.00 54.01 N ATOM 0 H LYS A 59 -2.776 2.388 14.128 1.00 31.21 H new ATOM 0 HA LYS A 59 -3.956 0.914 16.263 1.00 55.23 H new ATOM 0 HB2 LYS A 59 -4.723 3.142 14.403 1.00 25.14 H new ATOM 0 HB3 LYS A 59 -6.016 2.300 15.234 1.00 25.14 H new ATOM 0 HG2 LYS A 59 -3.642 3.365 16.771 1.00 53.51 H new ATOM 0 HG3 LYS A 59 -4.965 4.424 16.324 1.00 53.51 H new ATOM 0 HD2 LYS A 59 -5.453 1.794 17.756 1.00 65.23 H new ATOM 0 HD3 LYS A 59 -5.068 3.259 18.638 1.00 65.23 H new ATOM 0 HE2 LYS A 59 -7.106 4.221 18.220 1.00 52.44 H new ATOM 0 HE3 LYS A 59 -7.205 3.570 16.596 1.00 52.44 H new ATOM 0 HZ1 LYS A 59 -8.870 2.591 18.035 1.00 54.01 H new ATOM 0 HZ2 LYS A 59 -7.770 1.401 17.529 1.00 54.01 H new ATOM 0 HZ3 LYS A 59 -7.675 2.031 19.103 1.00 54.01 H new ATOM 965 N ILE A 60 -4.556 -0.072 13.256 1.00 72.12 N ATOM 966 CA ILE A 60 -5.222 -1.084 12.447 1.00 21.51 C ATOM 967 C ILE A 60 -4.693 -2.479 12.765 1.00 1.10 C ATOM 968 O ILE A 60 -5.455 -3.445 12.829 1.00 11.14 O ATOM 969 CB ILE A 60 -5.042 -0.812 10.941 1.00 45.34 C ATOM 970 CG1 ILE A 60 -5.658 0.540 10.570 1.00 74.51 C ATOM 971 CG2 ILE A 60 -5.669 -1.929 10.122 1.00 4.03 C ATOM 972 CD1 ILE A 60 -5.123 1.110 9.275 1.00 20.04 C ATOM 0 H ILE A 60 -3.801 0.420 12.778 1.00 72.12 H new ATOM 0 HA ILE A 60 -6.283 -1.034 12.693 1.00 21.51 H new ATOM 0 HB ILE A 60 -3.976 -0.780 10.716 1.00 45.34 H new ATOM 0 HG12 ILE A 60 -6.739 0.428 10.490 1.00 74.51 H new ATOM 0 HG13 ILE A 60 -5.470 1.250 11.376 1.00 74.51 H new ATOM 0 HG21 ILE A 60 -5.533 -1.722 9.060 1.00 4.03 H new ATOM 0 HG22 ILE A 60 -5.190 -2.876 10.371 1.00 4.03 H new ATOM 0 HG23 ILE A 60 -6.734 -1.991 10.346 1.00 4.03 H new ATOM 0 HD11 ILE A 60 -5.602 2.068 9.074 1.00 20.04 H new ATOM 0 HD12 ILE A 60 -4.046 1.254 9.358 1.00 20.04 H new ATOM 0 HD13 ILE A 60 -5.335 0.420 8.459 1.00 20.04 H new ATOM 984 N LEU A 61 -3.384 -2.577 12.967 1.00 41.41 N ATOM 985 CA LEU A 61 -2.751 -3.853 13.282 1.00 44.15 C ATOM 986 C LEU A 61 -3.215 -4.370 14.640 1.00 31.20 C ATOM 987 O LEU A 61 -3.392 -5.574 14.832 1.00 3.11 O ATOM 988 CB LEU A 61 -1.229 -3.706 13.271 1.00 71.42 C ATOM 989 CG LEU A 61 -0.566 -3.680 11.893 1.00 64.14 C ATOM 990 CD1 LEU A 61 0.912 -3.345 12.018 1.00 2.40 C ATOM 991 CD2 LEU A 61 -0.754 -5.015 11.186 1.00 74.21 C ATOM 0 H LEU A 61 -2.740 -1.788 12.918 1.00 41.41 H new ATOM 0 HA LEU A 61 -3.045 -4.575 12.520 1.00 44.15 H new ATOM 0 HB2 LEU A 61 -0.969 -2.786 13.794 1.00 71.42 H new ATOM 0 HB3 LEU A 61 -0.801 -4.529 13.843 1.00 71.42 H new ATOM 0 HG LEU A 61 -1.044 -2.904 11.295 1.00 64.14 H new ATOM 0 HD11 LEU A 61 1.367 -3.331 11.028 1.00 2.40 H new ATOM 0 HD12 LEU A 61 1.025 -2.366 12.483 1.00 2.40 H new ATOM 0 HD13 LEU A 61 1.405 -4.098 12.633 1.00 2.40 H new ATOM 0 HD21 LEU A 61 -0.276 -4.979 10.207 1.00 74.21 H new ATOM 0 HD22 LEU A 61 -0.302 -5.809 11.781 1.00 74.21 H new ATOM 0 HD23 LEU A 61 -1.818 -5.215 11.063 1.00 74.21 H new ATOM 1003 N THR A 62 -3.411 -3.452 15.582 1.00 24.44 N ATOM 1004 CA THR A 62 -3.854 -3.814 16.922 1.00 65.41 C ATOM 1005 C THR A 62 -5.305 -4.285 16.913 1.00 41.40 C ATOM 1006 O THR A 62 -5.700 -5.125 17.719 1.00 60.04 O ATOM 1007 CB THR A 62 -3.717 -2.631 17.898 1.00 73.11 C ATOM 1008 OG1 THR A 62 -3.413 -3.113 19.212 1.00 64.01 O ATOM 1009 CG2 THR A 62 -4.997 -1.809 17.937 1.00 23.23 C ATOM 0 H THR A 62 -3.270 -2.452 15.441 1.00 24.44 H new ATOM 0 HA THR A 62 -3.212 -4.628 17.258 1.00 65.41 H new ATOM 0 HB THR A 62 -2.906 -1.993 17.548 1.00 73.11 H new ATOM 0 HG1 THR A 62 -3.326 -2.355 19.827 1.00 64.01 H new ATOM 0 HG21 THR A 62 -4.876 -0.979 18.633 1.00 23.23 H new ATOM 0 HG22 THR A 62 -5.210 -1.419 16.942 1.00 23.23 H new ATOM 0 HG23 THR A 62 -5.824 -2.439 18.264 1.00 23.23 H new ATOM 1017 N VAL A 63 -6.094 -3.736 15.993 1.00 70.43 N ATOM 1018 CA VAL A 63 -7.501 -4.102 15.878 1.00 22.11 C ATOM 1019 C VAL A 63 -7.671 -5.389 15.078 1.00 55.45 C ATOM 1020 O VAL A 63 -8.597 -6.164 15.318 1.00 41.14 O ATOM 1021 CB VAL A 63 -8.318 -2.982 15.208 1.00 60.32 C ATOM 1022 CG1 VAL A 63 -9.761 -3.420 15.008 1.00 23.44 C ATOM 1023 CG2 VAL A 63 -8.250 -1.706 16.034 1.00 11.21 C ATOM 0 H VAL A 63 -5.783 -3.038 15.318 1.00 70.43 H new ATOM 0 HA VAL A 63 -7.872 -4.257 16.891 1.00 22.11 H new ATOM 0 HB VAL A 63 -7.886 -2.778 14.228 1.00 60.32 H new ATOM 0 HG11 VAL A 63 -10.323 -2.616 14.533 1.00 23.44 H new ATOM 0 HG12 VAL A 63 -9.788 -4.305 14.373 1.00 23.44 H new ATOM 0 HG13 VAL A 63 -10.208 -3.653 15.974 1.00 23.44 H new ATOM 0 HG21 VAL A 63 -8.833 -0.925 15.546 1.00 11.21 H new ATOM 0 HG22 VAL A 63 -8.656 -1.894 17.028 1.00 11.21 H new ATOM 0 HG23 VAL A 63 -7.212 -1.384 16.121 1.00 11.21 H new ATOM 1033 N LEU A 64 -6.771 -5.610 14.126 1.00 34.11 N ATOM 1034 CA LEU A 64 -6.820 -6.803 13.290 1.00 35.42 C ATOM 1035 C LEU A 64 -6.092 -7.967 13.957 1.00 12.14 C ATOM 1036 O LEU A 64 -6.368 -9.131 13.670 1.00 23.50 O ATOM 1037 CB LEU A 64 -6.200 -6.517 11.921 1.00 25.13 C ATOM 1038 CG LEU A 64 -6.989 -5.574 11.011 1.00 33.30 C ATOM 1039 CD1 LEU A 64 -6.162 -5.194 9.792 1.00 44.12 C ATOM 1040 CD2 LEU A 64 -8.303 -6.215 10.588 1.00 74.34 C ATOM 0 H LEU A 64 -5.999 -4.978 13.914 1.00 34.11 H new ATOM 0 HA LEU A 64 -7.866 -7.080 13.158 1.00 35.42 H new ATOM 0 HB2 LEU A 64 -5.207 -6.095 12.075 1.00 25.13 H new ATOM 0 HB3 LEU A 64 -6.066 -7.465 11.400 1.00 25.13 H new ATOM 0 HG LEU A 64 -7.215 -4.666 11.569 1.00 33.30 H new ATOM 0 HD11 LEU A 64 -6.739 -4.523 9.156 1.00 44.12 H new ATOM 0 HD12 LEU A 64 -5.249 -4.693 10.114 1.00 44.12 H new ATOM 0 HD13 LEU A 64 -5.905 -6.093 9.232 1.00 44.12 H new ATOM 0 HD21 LEU A 64 -8.851 -5.530 9.941 1.00 74.34 H new ATOM 0 HD22 LEU A 64 -8.099 -7.139 10.048 1.00 74.34 H new ATOM 0 HD23 LEU A 64 -8.901 -6.436 11.472 1.00 74.34 H new ATOM 1052 N ASP A 65 -5.163 -7.642 14.848 1.00 70.33 N ATOM 1053 CA ASP A 65 -4.397 -8.659 15.560 1.00 23.43 C ATOM 1054 C ASP A 65 -5.325 -9.652 16.253 1.00 71.25 C ATOM 1055 O ASP A 65 -5.322 -10.849 15.965 1.00 12.35 O ATOM 1056 CB ASP A 65 -3.470 -8.006 16.585 1.00 55.22 C ATOM 1057 CG ASP A 65 -2.006 -8.163 16.225 1.00 72.45 C ATOM 1058 OD1 ASP A 65 -1.517 -9.313 16.213 1.00 25.55 O ATOM 1059 OD2 ASP A 65 -1.348 -7.137 15.956 1.00 71.15 O ATOM 0 H ASP A 65 -4.921 -6.682 15.095 1.00 70.33 H new ATOM 0 HA ASP A 65 -3.794 -9.201 14.831 1.00 23.43 H new ATOM 0 HB2 ASP A 65 -3.710 -6.946 16.664 1.00 55.22 H new ATOM 0 HB3 ASP A 65 -3.649 -8.447 17.565 1.00 55.22 H new ATOM 1064 N PRO A 66 -6.138 -9.145 17.192 1.00 70.03 N ATOM 1065 CA PRO A 66 -7.086 -9.971 17.946 1.00 50.34 C ATOM 1066 C PRO A 66 -8.237 -10.471 17.080 1.00 70.44 C ATOM 1067 O PRO A 66 -8.996 -11.349 17.488 1.00 62.34 O ATOM 1068 CB PRO A 66 -7.605 -9.016 19.026 1.00 60.52 C ATOM 1069 CG PRO A 66 -7.428 -7.656 18.445 1.00 71.25 C ATOM 1070 CD PRO A 66 -6.196 -7.728 17.588 1.00 73.22 C ATOM 0 HA PRO A 66 -6.617 -10.872 18.342 1.00 50.34 H new ATOM 0 HB2 PRO A 66 -8.651 -9.214 19.260 1.00 60.52 H new ATOM 0 HB3 PRO A 66 -7.045 -9.126 19.954 1.00 60.52 H new ATOM 0 HG2 PRO A 66 -8.298 -7.368 17.854 1.00 71.25 H new ATOM 0 HG3 PRO A 66 -7.314 -6.908 19.230 1.00 71.25 H new ATOM 0 HD2 PRO A 66 -6.271 -7.071 16.721 1.00 73.22 H new ATOM 0 HD3 PRO A 66 -5.305 -7.428 18.139 1.00 73.22 H new ATOM 1078 N MET A 67 -8.359 -9.907 15.884 1.00 4.44 N ATOM 1079 CA MET A 67 -9.417 -10.298 14.959 1.00 31.11 C ATOM 1080 C MET A 67 -9.092 -11.632 14.295 1.00 64.31 C ATOM 1081 O MET A 67 -9.954 -12.252 13.671 1.00 74.41 O ATOM 1082 CB MET A 67 -9.617 -9.220 13.893 1.00 11.43 C ATOM 1083 CG MET A 67 -11.039 -8.684 13.829 1.00 10.11 C ATOM 1084 SD MET A 67 -11.426 -7.576 15.197 1.00 12.50 S ATOM 1085 CE MET A 67 -12.160 -8.719 16.363 1.00 24.12 C ATOM 0 H MET A 67 -7.739 -9.178 15.532 1.00 4.44 H new ATOM 0 HA MET A 67 -10.340 -10.410 15.528 1.00 31.11 H new ATOM 0 HB2 MET A 67 -8.935 -8.394 14.091 1.00 11.43 H new ATOM 0 HB3 MET A 67 -9.348 -9.629 12.919 1.00 11.43 H new ATOM 0 HG2 MET A 67 -11.182 -8.155 12.887 1.00 10.11 H new ATOM 0 HG3 MET A 67 -11.739 -9.520 13.834 1.00 10.11 H new ATOM 0 HE1 MET A 67 -12.830 -8.178 17.030 1.00 24.12 H new ATOM 0 HE2 MET A 67 -12.723 -9.479 15.822 1.00 24.12 H new ATOM 0 HE3 MET A 67 -11.374 -9.197 16.948 1.00 24.12 H new ATOM 1095 N VAL A 68 -7.844 -12.069 14.432 1.00 10.31 N ATOM 1096 CA VAL A 68 -7.407 -13.329 13.846 1.00 73.41 C ATOM 1097 C VAL A 68 -8.165 -14.508 14.446 1.00 41.20 C ATOM 1098 O VAL A 68 -8.837 -15.267 13.748 1.00 34.10 O ATOM 1099 CB VAL A 68 -5.895 -13.548 14.049 1.00 22.22 C ATOM 1100 CG1 VAL A 68 -5.571 -15.034 14.092 1.00 65.42 C ATOM 1101 CG2 VAL A 68 -5.104 -12.854 12.951 1.00 22.11 C ATOM 0 H VAL A 68 -7.118 -11.568 14.944 1.00 10.31 H new ATOM 0 HA VAL A 68 -7.619 -13.271 12.778 1.00 73.41 H new ATOM 0 HB VAL A 68 -5.608 -13.110 15.005 1.00 22.22 H new ATOM 0 HG11 VAL A 68 -4.499 -15.169 14.236 1.00 65.42 H new ATOM 0 HG12 VAL A 68 -6.109 -15.500 14.917 1.00 65.42 H new ATOM 0 HG13 VAL A 68 -5.872 -15.499 13.154 1.00 65.42 H new ATOM 0 HG21 VAL A 68 -4.038 -13.019 13.110 1.00 22.11 H new ATOM 0 HG22 VAL A 68 -5.393 -13.260 11.982 1.00 22.11 H new ATOM 0 HG23 VAL A 68 -5.313 -11.784 12.973 1.00 22.11 H new ATOM 1111 N PRO A 69 -8.057 -14.665 15.774 1.00 23.31 N ATOM 1112 CA PRO A 69 -8.728 -15.749 16.499 1.00 51.31 C ATOM 1113 C PRO A 69 -10.241 -15.567 16.545 1.00 22.53 C ATOM 1114 O PRO A 69 -10.966 -16.432 17.037 1.00 20.31 O ATOM 1115 CB PRO A 69 -8.135 -15.653 17.907 1.00 50.05 C ATOM 1116 CG PRO A 69 -7.708 -14.232 18.042 1.00 52.10 C ATOM 1117 CD PRO A 69 -7.274 -13.798 16.670 1.00 24.23 C ATOM 0 HA PRO A 69 -8.573 -16.716 16.021 1.00 51.31 H new ATOM 0 HB2 PRO A 69 -8.871 -15.919 18.666 1.00 50.05 H new ATOM 0 HB3 PRO A 69 -7.292 -16.333 18.029 1.00 50.05 H new ATOM 0 HG2 PRO A 69 -8.527 -13.612 18.407 1.00 52.10 H new ATOM 0 HG3 PRO A 69 -6.892 -14.136 18.758 1.00 52.10 H new ATOM 0 HD2 PRO A 69 -7.487 -12.743 16.496 1.00 24.23 H new ATOM 0 HD3 PRO A 69 -6.202 -13.934 16.526 1.00 24.23 H new ATOM 1125 N THR A 70 -10.712 -14.438 16.028 1.00 2.54 N ATOM 1126 CA THR A 70 -12.140 -14.141 16.009 1.00 73.54 C ATOM 1127 C THR A 70 -12.531 -13.398 14.738 1.00 25.01 C ATOM 1128 O THR A 70 -13.071 -12.294 14.794 1.00 60.13 O ATOM 1129 CB THR A 70 -12.555 -13.300 17.232 1.00 34.45 C ATOM 1130 OG1 THR A 70 -13.950 -12.987 17.159 1.00 70.14 O ATOM 1131 CG2 THR A 70 -11.744 -12.015 17.303 1.00 0.42 C ATOM 0 H THR A 70 -10.125 -13.712 15.616 1.00 2.54 H new ATOM 0 HA THR A 70 -12.662 -15.097 16.041 1.00 73.54 H new ATOM 0 HB THR A 70 -12.361 -13.884 18.132 1.00 34.45 H new ATOM 0 HG1 THR A 70 -14.125 -12.460 16.351 1.00 70.14 H new ATOM 0 HG21 THR A 70 -12.054 -11.437 18.174 1.00 0.42 H new ATOM 0 HG22 THR A 70 -10.685 -12.258 17.386 1.00 0.42 H new ATOM 0 HG23 THR A 70 -11.912 -11.428 16.400 1.00 0.42 H new ATOM 1139 N GLY A 71 -12.256 -14.010 13.590 1.00 74.44 N ATOM 1140 CA GLY A 71 -12.588 -13.392 12.320 1.00 53.44 C ATOM 1141 C GLY A 71 -12.862 -14.411 11.233 1.00 14.05 C ATOM 1142 O GLY A 71 -13.066 -15.591 11.515 1.00 23.02 O ATOM 0 H GLY A 71 -11.809 -14.924 13.517 1.00 74.44 H new ATOM 0 HA2 GLY A 71 -13.464 -12.756 12.447 1.00 53.44 H new ATOM 0 HA3 GLY A 71 -11.768 -12.745 12.009 1.00 53.44 H new ATOM 1146 N SER A 72 -12.866 -13.954 9.984 1.00 12.22 N ATOM 1147 CA SER A 72 -13.123 -14.834 8.850 1.00 14.42 C ATOM 1148 C SER A 72 -11.838 -15.111 8.075 1.00 12.42 C ATOM 1149 O SER A 72 -10.756 -14.681 8.475 1.00 33.23 O ATOM 1150 CB SER A 72 -14.167 -14.212 7.921 1.00 43.41 C ATOM 1151 OG SER A 72 -13.561 -13.345 6.977 1.00 73.44 O ATOM 0 H SER A 72 -12.694 -12.981 9.732 1.00 12.22 H new ATOM 0 HA SER A 72 -13.506 -15.779 9.235 1.00 14.42 H new ATOM 0 HB2 SER A 72 -14.709 -15.001 7.399 1.00 43.41 H new ATOM 0 HB3 SER A 72 -14.898 -13.659 8.510 1.00 43.41 H new ATOM 0 HG SER A 72 -14.250 -12.962 6.395 1.00 73.44 H new ATOM 1157 N GLU A 73 -11.967 -15.831 6.965 1.00 55.23 N ATOM 1158 CA GLU A 73 -10.815 -16.166 6.135 1.00 3.44 C ATOM 1159 C GLU A 73 -10.290 -14.930 5.409 1.00 54.12 C ATOM 1160 O GLU A 73 -9.084 -14.768 5.230 1.00 35.41 O ATOM 1161 CB GLU A 73 -11.189 -17.246 5.118 1.00 30.43 C ATOM 1162 CG GLU A 73 -10.828 -18.653 5.565 1.00 64.01 C ATOM 1163 CD GLU A 73 -9.362 -18.976 5.348 1.00 64.35 C ATOM 1164 OE1 GLU A 73 -8.654 -18.145 4.743 1.00 63.10 O ATOM 1165 OE2 GLU A 73 -8.925 -20.061 5.786 1.00 33.22 O ATOM 0 H GLU A 73 -12.856 -16.193 6.620 1.00 55.23 H new ATOM 0 HA GLU A 73 -10.028 -16.546 6.786 1.00 3.44 H new ATOM 0 HB2 GLU A 73 -12.261 -17.198 4.927 1.00 30.43 H new ATOM 0 HB3 GLU A 73 -10.687 -17.034 4.174 1.00 30.43 H new ATOM 0 HG2 GLU A 73 -11.069 -18.767 6.622 1.00 64.01 H new ATOM 0 HG3 GLU A 73 -11.439 -19.372 5.019 1.00 64.01 H new ATOM 1172 N ASN A 74 -11.205 -14.060 4.995 1.00 13.43 N ATOM 1173 CA ASN A 74 -10.834 -12.838 4.288 1.00 64.53 C ATOM 1174 C ASN A 74 -10.038 -11.906 5.195 1.00 74.21 C ATOM 1175 O ASN A 74 -8.948 -11.457 4.837 1.00 53.13 O ATOM 1176 CB ASN A 74 -12.086 -12.123 3.775 1.00 52.21 C ATOM 1177 CG ASN A 74 -12.948 -13.017 2.905 1.00 12.40 C ATOM 1178 OD1 ASN A 74 -13.907 -13.625 3.380 1.00 34.21 O ATOM 1179 ND2 ASN A 74 -12.609 -13.101 1.624 1.00 1.11 N ATOM 0 H ASN A 74 -12.208 -14.178 5.136 1.00 13.43 H new ATOM 0 HA ASN A 74 -10.207 -13.113 3.440 1.00 64.53 H new ATOM 0 HB2 ASN A 74 -12.673 -11.771 4.623 1.00 52.21 H new ATOM 0 HB3 ASN A 74 -11.790 -11.242 3.205 1.00 52.21 H new ATOM 0 HD21 ASN A 74 -13.152 -13.688 0.990 1.00 1.11 H new ATOM 0 HD22 ASN A 74 -11.806 -12.579 1.274 1.00 1.11 H new ATOM 1186 N LEU A 75 -10.587 -11.620 6.370 1.00 53.04 N ATOM 1187 CA LEU A 75 -9.927 -10.741 7.330 1.00 32.51 C ATOM 1188 C LEU A 75 -8.488 -11.186 7.575 1.00 4.40 C ATOM 1189 O LEU A 75 -7.574 -10.363 7.628 1.00 12.34 O ATOM 1190 CB LEU A 75 -10.699 -10.724 8.650 1.00 2.33 C ATOM 1191 CG LEU A 75 -9.976 -10.098 9.843 1.00 51.10 C ATOM 1192 CD1 LEU A 75 -10.839 -9.025 10.488 1.00 51.21 C ATOM 1193 CD2 LEU A 75 -9.601 -11.167 10.860 1.00 0.53 C ATOM 0 H LEU A 75 -11.488 -11.984 6.681 1.00 53.04 H new ATOM 0 HA LEU A 75 -9.911 -9.734 6.913 1.00 32.51 H new ATOM 0 HB2 LEU A 75 -11.634 -10.186 8.494 1.00 2.33 H new ATOM 0 HB3 LEU A 75 -10.961 -11.750 8.907 1.00 2.33 H new ATOM 0 HG LEU A 75 -9.060 -9.630 9.483 1.00 51.10 H new ATOM 0 HD11 LEU A 75 -10.308 -8.591 11.335 1.00 51.21 H new ATOM 0 HD12 LEU A 75 -11.056 -8.245 9.758 1.00 51.21 H new ATOM 0 HD13 LEU A 75 -11.773 -9.468 10.834 1.00 51.21 H new ATOM 0 HD21 LEU A 75 -9.087 -10.704 11.702 1.00 0.53 H new ATOM 0 HD22 LEU A 75 -10.504 -11.664 11.215 1.00 0.53 H new ATOM 0 HD23 LEU A 75 -8.943 -11.899 10.392 1.00 0.53 H new ATOM 1205 N LYS A 76 -8.295 -12.492 7.722 1.00 54.22 N ATOM 1206 CA LYS A 76 -6.967 -13.047 7.958 1.00 11.03 C ATOM 1207 C LYS A 76 -5.973 -12.542 6.916 1.00 70.35 C ATOM 1208 O LYS A 76 -4.780 -12.417 7.193 1.00 61.15 O ATOM 1209 CB LYS A 76 -7.019 -14.576 7.930 1.00 2.04 C ATOM 1210 CG LYS A 76 -7.049 -15.209 9.310 1.00 30.44 C ATOM 1211 CD LYS A 76 -7.337 -16.700 9.233 1.00 55.50 C ATOM 1212 CE LYS A 76 -8.374 -17.121 10.263 1.00 32.33 C ATOM 1213 NZ LYS A 76 -8.586 -18.596 10.265 1.00 2.31 N ATOM 0 H LYS A 76 -9.041 -13.186 7.682 1.00 54.22 H new ATOM 0 HA LYS A 76 -6.633 -12.719 8.942 1.00 11.03 H new ATOM 0 HB2 LYS A 76 -7.903 -14.891 7.376 1.00 2.04 H new ATOM 0 HB3 LYS A 76 -6.152 -14.951 7.386 1.00 2.04 H new ATOM 0 HG2 LYS A 76 -6.092 -15.047 9.806 1.00 30.44 H new ATOM 0 HG3 LYS A 76 -7.810 -14.721 9.919 1.00 30.44 H new ATOM 0 HD2 LYS A 76 -7.692 -16.952 8.234 1.00 55.50 H new ATOM 0 HD3 LYS A 76 -6.415 -17.259 9.394 1.00 55.50 H new ATOM 0 HE2 LYS A 76 -8.054 -16.799 11.254 1.00 32.33 H new ATOM 0 HE3 LYS A 76 -9.318 -16.618 10.054 1.00 32.33 H new ATOM 0 HZ1 LYS A 76 -9.300 -18.843 10.980 1.00 2.31 H new ATOM 0 HZ2 LYS A 76 -8.916 -18.901 9.327 1.00 2.31 H new ATOM 0 HZ3 LYS A 76 -7.691 -19.075 10.489 1.00 2.31 H new ATOM 1227 N SER A 77 -6.473 -12.253 5.720 1.00 25.25 N ATOM 1228 CA SER A 77 -5.628 -11.764 4.636 1.00 10.11 C ATOM 1229 C SER A 77 -5.236 -10.308 4.868 1.00 33.53 C ATOM 1230 O SER A 77 -4.085 -9.922 4.662 1.00 75.51 O ATOM 1231 CB SER A 77 -6.351 -11.902 3.295 1.00 72.13 C ATOM 1232 OG SER A 77 -5.438 -11.825 2.213 1.00 44.14 O ATOM 0 H SER A 77 -7.459 -12.349 5.476 1.00 25.25 H new ATOM 0 HA SER A 77 -4.721 -12.368 4.615 1.00 10.11 H new ATOM 0 HB2 SER A 77 -6.881 -12.854 3.260 1.00 72.13 H new ATOM 0 HB3 SER A 77 -7.100 -11.116 3.200 1.00 72.13 H new ATOM 0 HG SER A 77 -5.924 -11.917 1.367 1.00 44.14 H new ATOM 1238 N LEU A 78 -6.202 -9.503 5.298 1.00 72.20 N ATOM 1239 CA LEU A 78 -5.959 -8.089 5.558 1.00 41.14 C ATOM 1240 C LEU A 78 -4.905 -7.908 6.646 1.00 31.13 C ATOM 1241 O LEU A 78 -3.992 -7.095 6.510 1.00 14.34 O ATOM 1242 CB LEU A 78 -7.259 -7.396 5.972 1.00 22.40 C ATOM 1243 CG LEU A 78 -7.126 -5.951 6.455 1.00 32.25 C ATOM 1244 CD1 LEU A 78 -6.791 -5.029 5.292 1.00 74.15 C ATOM 1245 CD2 LEU A 78 -8.404 -5.499 7.145 1.00 21.11 C ATOM 0 H LEU A 78 -7.160 -9.806 5.474 1.00 72.20 H new ATOM 0 HA LEU A 78 -5.588 -7.635 4.639 1.00 41.14 H new ATOM 0 HB2 LEU A 78 -7.942 -7.413 5.123 1.00 22.40 H new ATOM 0 HB3 LEU A 78 -7.723 -7.982 6.766 1.00 22.40 H new ATOM 0 HG LEU A 78 -6.311 -5.903 7.177 1.00 32.25 H new ATOM 0 HD11 LEU A 78 -6.700 -4.005 5.654 1.00 74.15 H new ATOM 0 HD12 LEU A 78 -5.848 -5.340 4.841 1.00 74.15 H new ATOM 0 HD13 LEU A 78 -7.584 -5.081 4.546 1.00 74.15 H new ATOM 0 HD21 LEU A 78 -8.291 -4.469 7.482 1.00 21.11 H new ATOM 0 HD22 LEU A 78 -9.237 -5.562 6.445 1.00 21.11 H new ATOM 0 HD23 LEU A 78 -8.601 -6.142 8.003 1.00 21.11 H new ATOM 1257 N PHE A 79 -5.037 -8.674 7.723 1.00 71.14 N ATOM 1258 CA PHE A 79 -4.094 -8.600 8.834 1.00 64.34 C ATOM 1259 C PHE A 79 -2.656 -8.699 8.335 1.00 13.23 C ATOM 1260 O PHE A 79 -1.775 -7.980 8.802 1.00 74.44 O ATOM 1261 CB PHE A 79 -4.374 -9.716 9.843 1.00 34.31 C ATOM 1262 CG PHE A 79 -3.429 -9.719 11.011 1.00 24.15 C ATOM 1263 CD1 PHE A 79 -3.125 -8.542 11.675 1.00 72.54 C ATOM 1264 CD2 PHE A 79 -2.845 -10.898 11.443 1.00 33.44 C ATOM 1265 CE1 PHE A 79 -2.255 -8.541 12.750 1.00 5.00 C ATOM 1266 CE2 PHE A 79 -1.976 -10.904 12.517 1.00 73.10 C ATOM 1267 CZ PHE A 79 -1.679 -9.724 13.171 1.00 64.21 C ATOM 0 H PHE A 79 -5.787 -9.353 7.851 1.00 71.14 H new ATOM 0 HA PHE A 79 -4.224 -7.635 9.324 1.00 64.34 H new ATOM 0 HB2 PHE A 79 -5.395 -9.614 10.212 1.00 34.31 H new ATOM 0 HB3 PHE A 79 -4.314 -10.678 9.335 1.00 34.31 H new ATOM 0 HD1 PHE A 79 -3.572 -7.615 11.350 1.00 72.54 H new ATOM 0 HD2 PHE A 79 -3.071 -11.823 10.934 1.00 33.44 H new ATOM 0 HE1 PHE A 79 -2.026 -7.617 13.260 1.00 5.00 H new ATOM 0 HE2 PHE A 79 -1.529 -11.831 12.845 1.00 73.10 H new ATOM 0 HZ PHE A 79 -0.998 -9.726 14.009 1.00 64.21 H new ATOM 1277 N ASN A 80 -2.427 -9.596 7.381 1.00 63.40 N ATOM 1278 CA ASN A 80 -1.097 -9.791 6.818 1.00 15.12 C ATOM 1279 C ASN A 80 -0.711 -8.623 5.915 1.00 42.23 C ATOM 1280 O ASN A 80 0.404 -8.104 5.994 1.00 5.23 O ATOM 1281 CB ASN A 80 -1.041 -11.099 6.027 1.00 61.33 C ATOM 1282 CG ASN A 80 -0.651 -12.282 6.894 1.00 15.32 C ATOM 1283 OD1 ASN A 80 -0.616 -12.182 8.120 1.00 34.02 O ATOM 1284 ND2 ASN A 80 -0.355 -13.409 6.257 1.00 14.13 N ATOM 0 H ASN A 80 -3.146 -10.199 6.982 1.00 63.40 H new ATOM 0 HA ASN A 80 -0.386 -9.841 7.643 1.00 15.12 H new ATOM 0 HB2 ASN A 80 -2.014 -11.289 5.574 1.00 61.33 H new ATOM 0 HB3 ASN A 80 -0.325 -10.997 5.212 1.00 61.33 H new ATOM 0 HD21 ASN A 80 -0.085 -14.238 6.786 1.00 14.13 H new ATOM 0 HD22 ASN A 80 -0.398 -13.446 5.239 1.00 14.13 H new ATOM 1291 N THR A 81 -1.641 -8.212 5.059 1.00 14.32 N ATOM 1292 CA THR A 81 -1.400 -7.106 4.141 1.00 13.43 C ATOM 1293 C THR A 81 -1.046 -5.830 4.899 1.00 22.55 C ATOM 1294 O THR A 81 -0.141 -5.093 4.505 1.00 23.41 O ATOM 1295 CB THR A 81 -2.627 -6.836 3.250 1.00 20.40 C ATOM 1296 OG1 THR A 81 -2.985 -8.025 2.536 1.00 53.51 O ATOM 1297 CG2 THR A 81 -2.344 -5.712 2.264 1.00 72.31 C ATOM 0 H THR A 81 -2.569 -8.629 4.982 1.00 14.32 H new ATOM 0 HA THR A 81 -0.560 -7.397 3.510 1.00 13.43 H new ATOM 0 HB THR A 81 -3.455 -6.535 3.892 1.00 20.40 H new ATOM 0 HG1 THR A 81 -3.348 -8.686 3.162 1.00 53.51 H new ATOM 0 HG21 THR A 81 -3.225 -5.540 1.646 1.00 72.31 H new ATOM 0 HG22 THR A 81 -2.101 -4.801 2.811 1.00 72.31 H new ATOM 0 HG23 THR A 81 -1.503 -5.989 1.628 1.00 72.31 H new ATOM 1305 N VAL A 82 -1.764 -5.576 5.987 1.00 45.21 N ATOM 1306 CA VAL A 82 -1.525 -4.390 6.801 1.00 41.02 C ATOM 1307 C VAL A 82 -0.057 -4.283 7.198 1.00 33.20 C ATOM 1308 O VAL A 82 0.579 -3.248 6.993 1.00 21.12 O ATOM 1309 CB VAL A 82 -2.391 -4.399 8.076 1.00 34.15 C ATOM 1310 CG1 VAL A 82 -2.090 -3.180 8.934 1.00 21.11 C ATOM 1311 CG2 VAL A 82 -3.867 -4.458 7.715 1.00 61.24 C ATOM 0 H VAL A 82 -2.516 -6.175 6.326 1.00 45.21 H new ATOM 0 HA VAL A 82 -1.798 -3.528 6.192 1.00 41.02 H new ATOM 0 HB VAL A 82 -2.147 -5.289 8.656 1.00 34.15 H new ATOM 0 HG11 VAL A 82 -2.711 -3.203 9.830 1.00 21.11 H new ATOM 0 HG12 VAL A 82 -1.038 -3.188 9.221 1.00 21.11 H new ATOM 0 HG13 VAL A 82 -2.305 -2.274 8.367 1.00 21.11 H new ATOM 0 HG21 VAL A 82 -4.465 -4.464 8.627 1.00 61.24 H new ATOM 0 HG22 VAL A 82 -4.130 -3.587 7.114 1.00 61.24 H new ATOM 0 HG23 VAL A 82 -4.066 -5.365 7.145 1.00 61.24 H new ATOM 1321 N CYS A 83 0.477 -5.359 7.766 1.00 44.43 N ATOM 1322 CA CYS A 83 1.871 -5.386 8.193 1.00 30.52 C ATOM 1323 C CYS A 83 2.780 -4.792 7.120 1.00 62.23 C ATOM 1324 O CYS A 83 3.699 -4.031 7.424 1.00 23.45 O ATOM 1325 CB CYS A 83 2.302 -6.820 8.506 1.00 22.11 C ATOM 1326 SG CYS A 83 1.600 -7.485 10.034 1.00 54.23 S ATOM 0 H CYS A 83 -0.035 -6.224 7.941 1.00 44.43 H new ATOM 0 HA CYS A 83 1.961 -4.782 9.096 1.00 30.52 H new ATOM 0 HB2 CYS A 83 2.013 -7.464 7.676 1.00 22.11 H new ATOM 0 HB3 CYS A 83 3.389 -6.855 8.573 1.00 22.11 H new ATOM 0 HG CYS A 83 0.336 -7.735 9.858 1.00 54.23 H new ATOM 1332 N VAL A 84 2.517 -5.147 5.867 1.00 63.43 N ATOM 1333 CA VAL A 84 3.310 -4.650 4.749 1.00 52.45 C ATOM 1334 C VAL A 84 3.223 -3.131 4.646 1.00 73.40 C ATOM 1335 O VAL A 84 4.231 -2.454 4.441 1.00 45.44 O ATOM 1336 CB VAL A 84 2.854 -5.271 3.417 1.00 34.33 C ATOM 1337 CG1 VAL A 84 3.598 -4.638 2.250 1.00 63.11 C ATOM 1338 CG2 VAL A 84 3.058 -6.778 3.434 1.00 62.52 C ATOM 0 H VAL A 84 1.761 -5.777 5.600 1.00 63.43 H new ATOM 0 HA VAL A 84 4.343 -4.940 4.941 1.00 52.45 H new ATOM 0 HB VAL A 84 1.790 -5.073 3.290 1.00 34.33 H new ATOM 0 HG11 VAL A 84 3.262 -5.090 1.317 1.00 63.11 H new ATOM 0 HG12 VAL A 84 3.396 -3.567 2.228 1.00 63.11 H new ATOM 0 HG13 VAL A 84 4.669 -4.803 2.369 1.00 63.11 H new ATOM 0 HG21 VAL A 84 2.730 -7.200 2.484 1.00 62.52 H new ATOM 0 HG22 VAL A 84 4.114 -7.000 3.585 1.00 62.52 H new ATOM 0 HG23 VAL A 84 2.476 -7.215 4.245 1.00 62.52 H new ATOM 1348 N ILE A 85 2.012 -2.603 4.789 1.00 74.14 N ATOM 1349 CA ILE A 85 1.794 -1.164 4.715 1.00 24.03 C ATOM 1350 C ILE A 85 2.513 -0.438 5.847 1.00 20.45 C ATOM 1351 O ILE A 85 3.353 0.429 5.607 1.00 21.42 O ATOM 1352 CB ILE A 85 0.293 -0.819 4.769 1.00 54.33 C ATOM 1353 CG1 ILE A 85 -0.477 -1.626 3.723 1.00 74.31 C ATOM 1354 CG2 ILE A 85 0.085 0.673 4.554 1.00 62.33 C ATOM 1355 CD1 ILE A 85 -0.118 -1.267 2.298 1.00 50.40 C ATOM 0 H ILE A 85 1.168 -3.150 4.957 1.00 74.14 H new ATOM 0 HA ILE A 85 2.201 -0.832 3.760 1.00 24.03 H new ATOM 0 HB ILE A 85 -0.090 -1.081 5.755 1.00 54.33 H new ATOM 0 HG12 ILE A 85 -0.285 -2.687 3.881 1.00 74.31 H new ATOM 0 HG13 ILE A 85 -1.546 -1.470 3.870 1.00 74.31 H new ATOM 0 HG21 ILE A 85 -0.980 0.901 4.595 1.00 62.33 H new ATOM 0 HG22 ILE A 85 0.606 1.229 5.334 1.00 62.33 H new ATOM 0 HG23 ILE A 85 0.480 0.959 3.579 1.00 62.33 H new ATOM 0 HD11 ILE A 85 -0.702 -1.879 1.610 1.00 50.40 H new ATOM 0 HD12 ILE A 85 -0.336 -0.214 2.122 1.00 50.40 H new ATOM 0 HD13 ILE A 85 0.944 -1.450 2.133 1.00 50.40 H new ATOM 1367 N TRP A 86 2.178 -0.799 7.080 1.00 1.04 N ATOM 1368 CA TRP A 86 2.793 -0.184 8.250 1.00 11.22 C ATOM 1369 C TRP A 86 4.311 -0.147 8.111 1.00 1.21 C ATOM 1370 O TRP A 86 4.944 0.874 8.383 1.00 62.44 O ATOM 1371 CB TRP A 86 2.403 -0.946 9.517 1.00 15.31 C ATOM 1372 CG TRP A 86 2.910 -0.306 10.775 1.00 31.43 C ATOM 1373 CD1 TRP A 86 2.247 0.590 11.563 1.00 30.13 C ATOM 1374 CD2 TRP A 86 4.188 -0.514 11.387 1.00 12.43 C ATOM 1375 NE1 TRP A 86 3.035 0.952 12.629 1.00 12.24 N ATOM 1376 CE2 TRP A 86 4.230 0.289 12.544 1.00 13.43 C ATOM 1377 CE3 TRP A 86 5.299 -1.300 11.071 1.00 31.20 C ATOM 1378 CZ2 TRP A 86 5.341 0.327 13.382 1.00 23.21 C ATOM 1379 CZ3 TRP A 86 6.400 -1.262 11.905 1.00 52.41 C ATOM 1380 CH2 TRP A 86 6.415 -0.453 13.050 1.00 32.41 C ATOM 0 H TRP A 86 1.484 -1.515 7.296 1.00 1.04 H new ATOM 0 HA TRP A 86 2.429 0.841 8.324 1.00 11.22 H new ATOM 0 HB2 TRP A 86 1.317 -1.020 9.568 1.00 15.31 H new ATOM 0 HB3 TRP A 86 2.789 -1.963 9.454 1.00 15.31 H new ATOM 0 HD1 TRP A 86 1.250 0.960 11.376 1.00 30.13 H new ATOM 0 HE1 TRP A 86 2.772 1.608 13.364 1.00 12.24 H new ATOM 0 HE3 TRP A 86 5.297 -1.926 10.191 1.00 31.20 H new ATOM 0 HZ2 TRP A 86 5.355 0.951 14.264 1.00 23.21 H new ATOM 0 HZ3 TRP A 86 7.264 -1.866 11.671 1.00 52.41 H new ATOM 0 HH2 TRP A 86 7.291 -0.445 13.682 1.00 32.41 H new ATOM 1391 N CYS A 87 4.889 -1.264 7.684 1.00 41.15 N ATOM 1392 CA CYS A 87 6.334 -1.359 7.509 1.00 74.41 C ATOM 1393 C CYS A 87 6.853 -0.215 6.644 1.00 52.01 C ATOM 1394 O CYS A 87 7.787 0.491 7.028 1.00 1.20 O ATOM 1395 CB CYS A 87 6.705 -2.701 6.877 1.00 61.50 C ATOM 1396 SG CYS A 87 6.878 -4.054 8.065 1.00 1.23 S ATOM 0 H CYS A 87 4.379 -2.117 7.453 1.00 41.15 H new ATOM 0 HA CYS A 87 6.800 -1.288 8.492 1.00 74.41 H new ATOM 0 HB2 CYS A 87 5.943 -2.969 6.146 1.00 61.50 H new ATOM 0 HB3 CYS A 87 7.643 -2.587 6.333 1.00 61.50 H new ATOM 0 HG CYS A 87 7.191 -5.147 7.435 1.00 1.23 H new ATOM 1402 N ILE A 88 6.245 -0.040 5.477 1.00 45.14 N ATOM 1403 CA ILE A 88 6.646 1.018 4.558 1.00 23.20 C ATOM 1404 C ILE A 88 6.669 2.373 5.256 1.00 12.11 C ATOM 1405 O ILE A 88 7.541 3.203 4.994 1.00 4.42 O ATOM 1406 CB ILE A 88 5.703 1.096 3.343 1.00 21.21 C ATOM 1407 CG1 ILE A 88 5.731 -0.220 2.562 1.00 42.41 C ATOM 1408 CG2 ILE A 88 6.092 2.260 2.443 1.00 70.53 C ATOM 1409 CD1 ILE A 88 4.439 -0.517 1.833 1.00 73.52 C ATOM 0 H ILE A 88 5.472 -0.617 5.145 1.00 45.14 H new ATOM 0 HA ILE A 88 7.650 0.772 4.213 1.00 23.20 H new ATOM 0 HB ILE A 88 4.687 1.263 3.701 1.00 21.21 H new ATOM 0 HG12 ILE A 88 6.547 -0.188 1.840 1.00 42.41 H new ATOM 0 HG13 ILE A 88 5.947 -1.037 3.250 1.00 42.41 H new ATOM 0 HG21 ILE A 88 5.416 2.301 1.589 1.00 70.53 H new ATOM 0 HG22 ILE A 88 6.025 3.192 3.004 1.00 70.53 H new ATOM 0 HG23 ILE A 88 7.114 2.121 2.090 1.00 70.53 H new ATOM 0 HD11 ILE A 88 4.531 -1.464 1.301 1.00 73.52 H new ATOM 0 HD12 ILE A 88 3.622 -0.582 2.552 1.00 73.52 H new ATOM 0 HD13 ILE A 88 4.232 0.281 1.120 1.00 73.52 H new ATOM 1421 N HIS A 89 5.707 2.591 6.148 1.00 75.25 N ATOM 1422 CA HIS A 89 5.619 3.845 6.888 1.00 12.42 C ATOM 1423 C HIS A 89 6.672 3.899 7.991 1.00 44.30 C ATOM 1424 O HIS A 89 7.150 5.001 8.262 1.00 73.41 O ATOM 1425 CB HIS A 89 4.223 4.010 7.490 1.00 34.12 C ATOM 1426 CG HIS A 89 3.129 4.034 6.467 1.00 41.01 C ATOM 1427 ND1 HIS A 89 3.187 4.798 5.321 1.00 71.25 N ATOM 1428 CD2 HIS A 89 1.944 3.383 6.423 1.00 45.24 C ATOM 1429 CE1 HIS A 89 2.085 4.616 4.616 1.00 70.33 C ATOM 1430 NE2 HIS A 89 1.314 3.760 5.263 1.00 63.22 N ATOM 0 H HIS A 89 4.978 1.915 6.376 1.00 75.25 H new ATOM 0 HA HIS A 89 5.805 4.663 6.192 1.00 12.42 H new ATOM 0 HB2 HIS A 89 4.039 3.194 8.188 1.00 34.12 H new ATOM 0 HB3 HIS A 89 4.191 4.935 8.066 1.00 34.12 H new ATOM 0 HD2 HIS A 89 1.564 2.694 7.163 1.00 45.24 H new ATOM 0 HE1 HIS A 89 1.854 5.087 3.672 1.00 70.33 H new ATOM 0 HE2 HIS A 89 0.400 3.433 4.951 1.00 63.22 H new ATOM 1438 N ALA A 90 7.031 2.782 8.613 1.00 33.52 N ATOM 1439 CA ALA A 90 8.033 2.784 9.672 1.00 23.40 C ATOM 1440 C ALA A 90 9.434 2.586 9.102 1.00 63.13 C ATOM 1441 O ALA A 90 10.349 2.171 9.812 1.00 42.13 O ATOM 1442 CB ALA A 90 7.720 1.703 10.697 1.00 50.22 C ATOM 0 H ALA A 90 6.643 1.863 8.402 1.00 33.52 H new ATOM 0 HA ALA A 90 8.004 3.756 10.165 1.00 23.40 H new ATOM 0 HB1 ALA A 90 8.476 1.716 11.482 1.00 50.22 H new ATOM 0 HB2 ALA A 90 6.739 1.890 11.135 1.00 50.22 H new ATOM 0 HB3 ALA A 90 7.720 0.728 10.209 1.00 50.22 H new ATOM 1448 N GLU A 91 9.593 2.886 7.817 1.00 62.42 N ATOM 1449 CA GLU A 91 10.882 2.738 7.153 1.00 34.14 C ATOM 1450 C GLU A 91 11.400 1.309 7.281 1.00 14.23 C ATOM 1451 O GLU A 91 12.517 1.082 7.745 1.00 1.21 O ATOM 1452 CB GLU A 91 11.900 3.716 7.744 1.00 63.31 C ATOM 1453 CG GLU A 91 12.985 4.133 6.765 1.00 71.22 C ATOM 1454 CD GLU A 91 12.582 5.326 5.922 1.00 13.22 C ATOM 1455 OE1 GLU A 91 12.279 6.389 6.502 1.00 64.43 O ATOM 1456 OE2 GLU A 91 12.571 5.197 4.680 1.00 33.34 O ATOM 0 H GLU A 91 8.846 3.233 7.216 1.00 62.42 H new ATOM 0 HA GLU A 91 10.744 2.962 6.095 1.00 34.14 H new ATOM 0 HB2 GLU A 91 11.376 4.606 8.093 1.00 63.31 H new ATOM 0 HB3 GLU A 91 12.366 3.258 8.616 1.00 63.31 H new ATOM 0 HG2 GLU A 91 13.894 4.373 7.316 1.00 71.22 H new ATOM 0 HG3 GLU A 91 13.221 3.294 6.111 1.00 71.22 H new ATOM 1463 N GLU A 92 10.580 0.349 6.866 1.00 23.14 N ATOM 1464 CA GLU A 92 10.955 -1.059 6.935 1.00 11.03 C ATOM 1465 C GLU A 92 10.827 -1.724 5.568 1.00 34.45 C ATOM 1466 O GLU A 92 9.791 -1.624 4.909 1.00 11.31 O ATOM 1467 CB GLU A 92 10.081 -1.792 7.955 1.00 60.11 C ATOM 1468 CG GLU A 92 10.477 -1.528 9.397 1.00 53.52 C ATOM 1469 CD GLU A 92 11.647 -2.381 9.848 1.00 35.23 C ATOM 1470 OE1 GLU A 92 12.495 -2.722 8.997 1.00 21.23 O ATOM 1471 OE2 GLU A 92 11.714 -2.707 11.051 1.00 71.44 O ATOM 0 H GLU A 92 9.652 0.520 6.479 1.00 23.14 H new ATOM 0 HA GLU A 92 11.997 -1.116 7.251 1.00 11.03 H new ATOM 0 HB2 GLU A 92 9.042 -1.494 7.812 1.00 60.11 H new ATOM 0 HB3 GLU A 92 10.134 -2.864 7.763 1.00 60.11 H new ATOM 0 HG2 GLU A 92 10.735 -0.475 9.512 1.00 53.52 H new ATOM 0 HG3 GLU A 92 9.622 -1.719 10.045 1.00 53.52 H new ATOM 1478 N LYS A 93 11.888 -2.404 5.146 1.00 51.53 N ATOM 1479 CA LYS A 93 11.897 -3.087 3.858 1.00 42.30 C ATOM 1480 C LYS A 93 11.989 -4.599 4.044 1.00 4.14 C ATOM 1481 O LYS A 93 12.823 -5.091 4.804 1.00 24.24 O ATOM 1482 CB LYS A 93 13.069 -2.596 3.005 1.00 63.22 C ATOM 1483 CG LYS A 93 13.066 -1.094 2.773 1.00 63.35 C ATOM 1484 CD LYS A 93 14.215 -0.416 3.500 1.00 21.00 C ATOM 1485 CE LYS A 93 13.936 1.062 3.724 1.00 14.21 C ATOM 1486 NZ LYS A 93 14.882 1.926 2.964 1.00 22.22 N ATOM 0 H LYS A 93 12.753 -2.497 5.678 1.00 51.53 H new ATOM 0 HA LYS A 93 10.962 -2.857 3.347 1.00 42.30 H new ATOM 0 HB2 LYS A 93 14.004 -2.878 3.490 1.00 63.22 H new ATOM 0 HB3 LYS A 93 13.044 -3.104 2.041 1.00 63.22 H new ATOM 0 HG2 LYS A 93 13.139 -0.890 1.705 1.00 63.35 H new ATOM 0 HG3 LYS A 93 12.120 -0.674 3.114 1.00 63.35 H new ATOM 0 HD2 LYS A 93 14.380 -0.906 4.460 1.00 21.00 H new ATOM 0 HD3 LYS A 93 15.132 -0.531 2.922 1.00 21.00 H new ATOM 0 HE2 LYS A 93 12.914 1.289 3.421 1.00 14.21 H new ATOM 0 HE3 LYS A 93 14.011 1.289 4.787 1.00 14.21 H new ATOM 0 HZ1 LYS A 93 14.659 2.926 3.143 1.00 22.22 H new ATOM 0 HZ2 LYS A 93 15.856 1.728 3.271 1.00 22.22 H new ATOM 0 HZ3 LYS A 93 14.792 1.728 1.947 1.00 22.22 H new ATOM 1500 N VAL A 94 11.126 -5.330 3.345 1.00 51.02 N ATOM 1501 CA VAL A 94 11.112 -6.785 3.431 1.00 42.01 C ATOM 1502 C VAL A 94 11.146 -7.418 2.045 1.00 61.31 C ATOM 1503 O VAL A 94 10.536 -6.912 1.103 1.00 14.34 O ATOM 1504 CB VAL A 94 9.866 -7.290 4.184 1.00 30.15 C ATOM 1505 CG1 VAL A 94 9.909 -6.855 5.641 1.00 22.13 C ATOM 1506 CG2 VAL A 94 8.598 -6.793 3.507 1.00 60.30 C ATOM 0 H VAL A 94 10.428 -4.938 2.713 1.00 51.02 H new ATOM 0 HA VAL A 94 12.005 -7.078 3.983 1.00 42.01 H new ATOM 0 HB VAL A 94 9.862 -8.380 4.156 1.00 30.15 H new ATOM 0 HG11 VAL A 94 9.021 -7.221 6.156 1.00 22.13 H new ATOM 0 HG12 VAL A 94 10.800 -7.265 6.117 1.00 22.13 H new ATOM 0 HG13 VAL A 94 9.937 -5.767 5.695 1.00 22.13 H new ATOM 0 HG21 VAL A 94 7.727 -7.159 4.052 1.00 60.30 H new ATOM 0 HG22 VAL A 94 8.591 -5.703 3.502 1.00 60.30 H new ATOM 0 HG23 VAL A 94 8.565 -7.161 2.481 1.00 60.30 H new ATOM 1516 N LYS A 95 11.863 -8.531 1.926 1.00 13.50 N ATOM 1517 CA LYS A 95 11.977 -9.236 0.655 1.00 63.24 C ATOM 1518 C LYS A 95 10.622 -9.776 0.210 1.00 64.13 C ATOM 1519 O LYS A 95 10.197 -9.553 -0.923 1.00 45.31 O ATOM 1520 CB LYS A 95 12.982 -10.384 0.774 1.00 63.33 C ATOM 1521 CG LYS A 95 14.430 -9.941 0.661 1.00 3.10 C ATOM 1522 CD LYS A 95 15.385 -11.113 0.800 1.00 75.04 C ATOM 1523 CE LYS A 95 16.835 -10.668 0.685 1.00 71.41 C ATOM 1524 NZ LYS A 95 17.359 -10.143 1.976 1.00 60.20 N ATOM 0 H LYS A 95 12.374 -8.964 2.695 1.00 13.50 H new ATOM 0 HA LYS A 95 12.330 -8.528 -0.095 1.00 63.24 H new ATOM 0 HB2 LYS A 95 12.838 -10.884 1.732 1.00 63.33 H new ATOM 0 HB3 LYS A 95 12.774 -11.119 -0.004 1.00 63.33 H new ATOM 0 HG2 LYS A 95 14.588 -9.454 -0.301 1.00 3.10 H new ATOM 0 HG3 LYS A 95 14.646 -9.201 1.432 1.00 3.10 H new ATOM 0 HD2 LYS A 95 15.228 -11.599 1.763 1.00 75.04 H new ATOM 0 HD3 LYS A 95 15.168 -11.853 0.030 1.00 75.04 H new ATOM 0 HE2 LYS A 95 17.448 -11.509 0.359 1.00 71.41 H new ATOM 0 HE3 LYS A 95 16.918 -9.897 -0.081 1.00 71.41 H new ATOM 0 HZ1 LYS A 95 18.350 -9.850 1.855 1.00 60.20 H new ATOM 0 HZ2 LYS A 95 16.790 -9.325 2.275 1.00 60.20 H new ATOM 0 HZ3 LYS A 95 17.303 -10.886 2.701 1.00 60.20 H new ATOM 1538 N ASP A 96 9.949 -10.487 1.108 1.00 42.34 N ATOM 1539 CA ASP A 96 8.640 -11.056 0.808 1.00 10.50 C ATOM 1540 C ASP A 96 7.663 -10.805 1.952 1.00 1.30 C ATOM 1541 O ASP A 96 8.067 -10.633 3.103 1.00 63.22 O ATOM 1542 CB ASP A 96 8.762 -12.558 0.546 1.00 41.03 C ATOM 1543 CG ASP A 96 9.565 -13.269 1.617 1.00 71.44 C ATOM 1544 OD1 ASP A 96 9.406 -12.924 2.807 1.00 23.03 O ATOM 1545 OD2 ASP A 96 10.353 -14.172 1.266 1.00 61.10 O ATOM 0 H ASP A 96 10.288 -10.683 2.050 1.00 42.34 H new ATOM 0 HA ASP A 96 8.256 -10.568 -0.088 1.00 10.50 H new ATOM 0 HB2 ASP A 96 7.766 -12.997 0.492 1.00 41.03 H new ATOM 0 HB3 ASP A 96 9.234 -12.718 -0.424 1.00 41.03 H new ATOM 1550 N THR A 97 6.373 -10.781 1.628 1.00 72.12 N ATOM 1551 CA THR A 97 5.339 -10.548 2.627 1.00 44.03 C ATOM 1552 C THR A 97 5.628 -11.320 3.910 1.00 12.04 C ATOM 1553 O THR A 97 5.400 -10.819 5.010 1.00 30.20 O ATOM 1554 CB THR A 97 3.949 -10.954 2.102 1.00 5.24 C ATOM 1555 OG1 THR A 97 3.588 -10.132 0.984 1.00 74.14 O ATOM 1556 CG2 THR A 97 2.897 -10.822 3.193 1.00 61.21 C ATOM 0 H THR A 97 6.021 -10.920 0.681 1.00 72.12 H new ATOM 0 HA THR A 97 5.342 -9.479 2.840 1.00 44.03 H new ATOM 0 HB THR A 97 3.995 -11.997 1.788 1.00 5.24 H new ATOM 0 HG1 THR A 97 2.898 -9.492 1.258 1.00 74.14 H new ATOM 0 HG21 THR A 97 1.924 -11.114 2.798 1.00 61.21 H new ATOM 0 HG22 THR A 97 3.158 -11.469 4.030 1.00 61.21 H new ATOM 0 HG23 THR A 97 2.854 -9.788 3.534 1.00 61.21 H new ATOM 1564 N GLU A 98 6.132 -12.540 3.760 1.00 75.30 N ATOM 1565 CA GLU A 98 6.453 -13.380 4.907 1.00 73.13 C ATOM 1566 C GLU A 98 7.342 -12.632 5.898 1.00 4.11 C ATOM 1567 O GLU A 98 7.041 -12.564 7.089 1.00 42.31 O ATOM 1568 CB GLU A 98 7.150 -14.663 4.450 1.00 30.41 C ATOM 1569 CG GLU A 98 6.303 -15.518 3.522 1.00 14.20 C ATOM 1570 CD GLU A 98 5.786 -16.774 4.196 1.00 44.11 C ATOM 1571 OE1 GLU A 98 4.864 -16.661 5.032 1.00 50.04 O ATOM 1572 OE2 GLU A 98 6.301 -17.869 3.888 1.00 41.52 O ATOM 0 H GLU A 98 6.327 -12.969 2.855 1.00 75.30 H new ATOM 0 HA GLU A 98 5.519 -13.640 5.406 1.00 73.13 H new ATOM 0 HB2 GLU A 98 8.079 -14.401 3.943 1.00 30.41 H new ATOM 0 HB3 GLU A 98 7.421 -15.252 5.327 1.00 30.41 H new ATOM 0 HG2 GLU A 98 5.459 -14.930 3.162 1.00 14.20 H new ATOM 0 HG3 GLU A 98 6.894 -15.795 2.649 1.00 14.20 H new ATOM 1579 N GLY A 99 8.438 -12.072 5.395 1.00 62.34 N ATOM 1580 CA GLY A 99 9.353 -11.337 6.248 1.00 62.14 C ATOM 1581 C GLY A 99 8.704 -10.126 6.887 1.00 63.45 C ATOM 1582 O GLY A 99 9.068 -9.730 7.995 1.00 11.23 O ATOM 0 H GLY A 99 8.708 -12.114 4.412 1.00 62.34 H new ATOM 0 HA2 GLY A 99 9.728 -11.999 7.029 1.00 62.14 H new ATOM 0 HA3 GLY A 99 10.214 -11.017 5.661 1.00 62.14 H new ATOM 1586 N ALA A 100 7.740 -9.536 6.190 1.00 2.54 N ATOM 1587 CA ALA A 100 7.037 -8.363 6.696 1.00 74.13 C ATOM 1588 C ALA A 100 6.259 -8.695 7.965 1.00 11.05 C ATOM 1589 O ALA A 100 6.253 -7.922 8.923 1.00 11.53 O ATOM 1590 CB ALA A 100 6.104 -7.805 5.632 1.00 61.25 C ATOM 0 H ALA A 100 7.427 -9.851 5.272 1.00 2.54 H new ATOM 0 HA ALA A 100 7.779 -7.604 6.944 1.00 74.13 H new ATOM 0 HB1 ALA A 100 5.586 -6.930 6.025 1.00 61.25 H new ATOM 0 HB2 ALA A 100 6.683 -7.520 4.753 1.00 61.25 H new ATOM 0 HB3 ALA A 100 5.373 -8.565 5.354 1.00 61.25 H new ATOM 1596 N LYS A 101 5.601 -9.850 7.964 1.00 40.42 N ATOM 1597 CA LYS A 101 4.818 -10.284 9.116 1.00 33.44 C ATOM 1598 C LYS A 101 5.725 -10.613 10.297 1.00 34.51 C ATOM 1599 O LYS A 101 5.293 -10.588 11.449 1.00 3.32 O ATOM 1600 CB LYS A 101 3.975 -11.508 8.750 1.00 73.14 C ATOM 1601 CG LYS A 101 2.603 -11.517 9.402 1.00 64.24 C ATOM 1602 CD LYS A 101 2.241 -12.899 9.919 1.00 62.53 C ATOM 1603 CE LYS A 101 2.729 -13.106 11.345 1.00 42.12 C ATOM 1604 NZ LYS A 101 3.380 -14.434 11.521 1.00 65.23 N ATOM 0 H LYS A 101 5.594 -10.502 7.179 1.00 40.42 H new ATOM 0 HA LYS A 101 4.157 -9.467 9.405 1.00 33.44 H new ATOM 0 HB2 LYS A 101 3.854 -11.545 7.667 1.00 73.14 H new ATOM 0 HB3 LYS A 101 4.513 -12.410 9.042 1.00 73.14 H new ATOM 0 HG2 LYS A 101 2.586 -10.803 10.226 1.00 64.24 H new ATOM 0 HG3 LYS A 101 1.854 -11.190 8.681 1.00 64.24 H new ATOM 0 HD2 LYS A 101 1.160 -13.031 9.880 1.00 62.53 H new ATOM 0 HD3 LYS A 101 2.678 -13.658 9.270 1.00 62.53 H new ATOM 0 HE2 LYS A 101 3.436 -12.318 11.605 1.00 42.12 H new ATOM 0 HE3 LYS A 101 1.888 -13.020 12.033 1.00 42.12 H new ATOM 0 HZ1 LYS A 101 3.699 -14.537 12.506 1.00 65.23 H new ATOM 0 HZ2 LYS A 101 2.698 -15.187 11.297 1.00 65.23 H new ATOM 0 HZ3 LYS A 101 4.198 -14.507 10.883 1.00 65.23 H new ATOM 1618 N GLN A 102 6.984 -10.921 10.003 1.00 73.14 N ATOM 1619 CA GLN A 102 7.952 -11.254 11.042 1.00 62.33 C ATOM 1620 C GLN A 102 8.444 -9.996 11.751 1.00 11.05 C ATOM 1621 O GLN A 102 8.609 -9.983 12.971 1.00 15.21 O ATOM 1622 CB GLN A 102 9.136 -12.013 10.443 1.00 14.13 C ATOM 1623 CG GLN A 102 9.832 -12.935 11.431 1.00 50.12 C ATOM 1624 CD GLN A 102 9.534 -14.399 11.173 1.00 22.13 C ATOM 1625 OE1 GLN A 102 8.401 -14.768 10.861 1.00 12.45 O ATOM 1626 NE2 GLN A 102 10.551 -15.242 11.303 1.00 1.11 N ATOM 0 H GLN A 102 7.358 -10.947 9.054 1.00 73.14 H new ATOM 0 HA GLN A 102 7.456 -11.891 11.774 1.00 62.33 H new ATOM 0 HB2 GLN A 102 8.788 -12.601 9.594 1.00 14.13 H new ATOM 0 HB3 GLN A 102 9.860 -11.295 10.058 1.00 14.13 H new ATOM 0 HG2 GLN A 102 10.908 -12.772 11.377 1.00 50.12 H new ATOM 0 HG3 GLN A 102 9.521 -12.678 12.443 1.00 50.12 H new ATOM 0 HE21 GLN A 102 11.473 -14.892 11.563 1.00 1.11 H new ATOM 0 HE22 GLN A 102 10.410 -16.239 11.143 1.00 1.11 H new ATOM 1635 N ILE A 103 8.678 -8.941 10.977 1.00 54.22 N ATOM 1636 CA ILE A 103 9.152 -7.678 11.530 1.00 65.23 C ATOM 1637 C ILE A 103 8.074 -7.012 12.379 1.00 24.43 C ATOM 1638 O ILE A 103 8.339 -6.552 13.490 1.00 50.32 O ATOM 1639 CB ILE A 103 9.589 -6.705 10.419 1.00 71.44 C ATOM 1640 CG1 ILE A 103 10.728 -7.314 9.599 1.00 11.12 C ATOM 1641 CG2 ILE A 103 10.014 -5.374 11.019 1.00 55.32 C ATOM 1642 CD1 ILE A 103 11.242 -6.401 8.508 1.00 62.01 C ATOM 0 H ILE A 103 8.547 -8.936 9.965 1.00 54.22 H new ATOM 0 HA ILE A 103 10.013 -7.911 12.156 1.00 65.23 H new ATOM 0 HB ILE A 103 8.742 -6.528 9.756 1.00 71.44 H new ATOM 0 HG12 ILE A 103 11.551 -7.567 10.267 1.00 11.12 H new ATOM 0 HG13 ILE A 103 10.384 -8.246 9.150 1.00 11.12 H new ATOM 0 HG21 ILE A 103 10.320 -4.697 10.222 1.00 55.32 H new ATOM 0 HG22 ILE A 103 9.178 -4.937 11.565 1.00 55.32 H new ATOM 0 HG23 ILE A 103 10.849 -5.533 11.701 1.00 55.32 H new ATOM 0 HD11 ILE A 103 12.048 -6.898 7.968 1.00 62.01 H new ATOM 0 HD12 ILE A 103 10.432 -6.168 7.817 1.00 62.01 H new ATOM 0 HD13 ILE A 103 11.617 -5.479 8.952 1.00 62.01 H new ATOM 1654 N VAL A 104 6.856 -6.965 11.849 1.00 2.42 N ATOM 1655 CA VAL A 104 5.737 -6.358 12.558 1.00 44.44 C ATOM 1656 C VAL A 104 5.454 -7.087 13.867 1.00 54.24 C ATOM 1657 O VAL A 104 5.297 -6.461 14.916 1.00 35.12 O ATOM 1658 CB VAL A 104 4.459 -6.358 11.698 1.00 31.44 C ATOM 1659 CG1 VAL A 104 3.271 -5.856 12.503 1.00 41.21 C ATOM 1660 CG2 VAL A 104 4.660 -5.517 10.446 1.00 62.13 C ATOM 0 H VAL A 104 6.619 -7.340 10.931 1.00 2.42 H new ATOM 0 HA VAL A 104 6.022 -5.328 12.773 1.00 44.44 H new ATOM 0 HB VAL A 104 4.250 -7.383 11.391 1.00 31.44 H new ATOM 0 HG11 VAL A 104 2.378 -5.864 11.878 1.00 41.21 H new ATOM 0 HG12 VAL A 104 3.116 -6.504 13.365 1.00 41.21 H new ATOM 0 HG13 VAL A 104 3.466 -4.839 12.844 1.00 41.21 H new ATOM 0 HG21 VAL A 104 3.747 -5.528 9.850 1.00 62.13 H new ATOM 0 HG22 VAL A 104 4.895 -4.491 10.730 1.00 62.13 H new ATOM 0 HG23 VAL A 104 5.481 -5.928 9.859 1.00 62.13 H new ATOM 1670 N ARG A 105 5.392 -8.412 13.799 1.00 0.35 N ATOM 1671 CA ARG A 105 5.129 -9.227 14.978 1.00 64.43 C ATOM 1672 C ARG A 105 6.182 -8.983 16.054 1.00 53.10 C ATOM 1673 O ARG A 105 5.855 -8.654 17.194 1.00 42.33 O ATOM 1674 CB ARG A 105 5.100 -10.710 14.604 1.00 3.34 C ATOM 1675 CG ARG A 105 4.336 -11.574 15.594 1.00 53.33 C ATOM 1676 CD ARG A 105 5.107 -12.838 15.942 1.00 2.13 C ATOM 1677 NE ARG A 105 4.763 -13.341 17.269 1.00 2.30 N ATOM 1678 CZ ARG A 105 3.660 -14.034 17.528 1.00 72.41 C ATOM 1679 NH1 ARG A 105 2.800 -14.307 16.556 1.00 43.05 N ATOM 1680 NH2 ARG A 105 3.417 -14.459 18.762 1.00 31.45 N ATOM 0 H ARG A 105 5.521 -8.945 12.939 1.00 0.35 H new ATOM 0 HA ARG A 105 4.155 -8.941 15.376 1.00 64.43 H new ATOM 0 HB2 ARG A 105 4.650 -10.818 13.617 1.00 3.34 H new ATOM 0 HB3 ARG A 105 6.124 -11.077 14.529 1.00 3.34 H new ATOM 0 HG2 ARG A 105 4.142 -11.003 16.502 1.00 53.33 H new ATOM 0 HG3 ARG A 105 3.367 -11.842 15.173 1.00 53.33 H new ATOM 0 HD2 ARG A 105 4.898 -13.606 15.198 1.00 2.13 H new ATOM 0 HD3 ARG A 105 6.177 -12.634 15.898 1.00 2.13 H new ATOM 0 HE ARG A 105 5.404 -13.150 18.039 1.00 2.30 H new ATOM 0 HH11 ARG A 105 2.985 -13.985 15.606 1.00 43.05 H new ATOM 0 HH12 ARG A 105 1.954 -14.839 16.758 1.00 43.05 H new ATOM 0 HH21 ARG A 105 4.077 -14.253 19.512 1.00 31.45 H new ATOM 0 HH22 ARG A 105 2.570 -14.991 18.961 1.00 31.45 H new ATOM 1694 N ARG A 106 7.448 -9.148 15.683 1.00 2.30 N ATOM 1695 CA ARG A 106 8.550 -8.947 16.617 1.00 23.54 C ATOM 1696 C ARG A 106 8.462 -7.573 17.273 1.00 54.21 C ATOM 1697 O ARG A 106 8.855 -7.398 18.428 1.00 72.53 O ATOM 1698 CB ARG A 106 9.891 -9.096 15.896 1.00 1.54 C ATOM 1699 CG ARG A 106 10.906 -9.927 16.662 1.00 22.32 C ATOM 1700 CD ARG A 106 11.985 -9.054 17.285 1.00 22.32 C ATOM 1701 NE ARG A 106 12.694 -9.744 18.359 1.00 22.15 N ATOM 1702 CZ ARG A 106 13.653 -9.181 19.086 1.00 30.30 C ATOM 1703 NH1 ARG A 106 14.015 -7.928 18.855 1.00 0.51 N ATOM 1704 NH2 ARG A 106 14.251 -9.874 20.046 1.00 72.53 N ATOM 0 H ARG A 106 7.736 -9.420 14.743 1.00 2.30 H new ATOM 0 HA ARG A 106 8.478 -9.707 17.395 1.00 23.54 H new ATOM 0 HB2 ARG A 106 9.721 -9.554 14.922 1.00 1.54 H new ATOM 0 HB3 ARG A 106 10.308 -8.105 15.714 1.00 1.54 H new ATOM 0 HG2 ARG A 106 10.399 -10.493 17.443 1.00 22.32 H new ATOM 0 HG3 ARG A 106 11.366 -10.652 15.990 1.00 22.32 H new ATOM 0 HD2 ARG A 106 12.696 -8.753 16.516 1.00 22.32 H new ATOM 0 HD3 ARG A 106 11.533 -8.142 17.676 1.00 22.32 H new ATOM 0 HE ARG A 106 12.439 -10.711 18.562 1.00 22.15 H new ATOM 0 HH11 ARG A 106 13.557 -7.393 18.117 1.00 0.51 H new ATOM 0 HH12 ARG A 106 14.752 -7.498 19.415 1.00 0.51 H new ATOM 0 HH21 ARG A 106 13.975 -10.839 20.226 1.00 72.53 H new ATOM 0 HH22 ARG A 106 14.987 -9.442 20.604 1.00 72.53 H new ATOM 1718 N HIS A 107 7.947 -6.599 16.531 1.00 1.44 N ATOM 1719 CA HIS A 107 7.808 -5.239 17.040 1.00 64.22 C ATOM 1720 C HIS A 107 6.591 -5.124 17.955 1.00 34.31 C ATOM 1721 O HIS A 107 6.665 -4.336 18.898 1.00 71.24 O ATOM 1722 CB HIS A 107 7.683 -4.248 15.882 1.00 14.51 C ATOM 1723 CG HIS A 107 8.958 -4.055 15.120 1.00 42.32 C ATOM 1724 ND1 HIS A 107 10.205 -4.240 15.679 1.00 5.24 N ATOM 1725 CD2 HIS A 107 9.175 -3.692 13.834 1.00 5.20 C ATOM 1726 CE1 HIS A 107 11.133 -3.998 14.770 1.00 4.01 C ATOM 1727 NE2 HIS A 107 10.533 -3.664 13.641 1.00 61.34 N ATOM 0 H HIS A 107 7.618 -6.726 15.574 1.00 1.44 H new ATOM 0 HA HIS A 107 8.701 -5.001 17.618 1.00 64.22 H new ATOM 0 HB2 HIS A 107 6.909 -4.597 15.198 1.00 14.51 H new ATOM 0 HB3 HIS A 107 7.353 -3.285 16.272 1.00 14.51 H new ATOM 0 HD2 HIS A 107 8.419 -3.466 13.096 1.00 5.20 H new ATOM 0 HE1 HIS A 107 12.200 -4.062 14.924 1.00 4.01 H new ATOM 0 HE2 HIS A 107 11.003 -3.424 12.768 1.00 61.34 H new ATOM 1735 N LEU A 108 5.514 -5.863 17.712 1.00 14.34 N ATOM 1736 CA LEU A 108 4.329 -5.788 18.559 1.00 2.05 C ATOM 1737 C LEU A 108 4.573 -6.472 19.900 1.00 12.41 C ATOM 1738 O LEU A 108 4.036 -6.057 20.928 1.00 31.44 O ATOM 1739 CB LEU A 108 3.134 -6.432 17.855 1.00 23.21 C ATOM 1740 CG LEU A 108 2.654 -5.742 16.578 1.00 33.05 C ATOM 1741 CD1 LEU A 108 1.815 -6.694 15.739 1.00 2.35 C ATOM 1742 CD2 LEU A 108 1.863 -4.486 16.915 1.00 32.22 C ATOM 0 H LEU A 108 5.437 -6.520 16.936 1.00 14.34 H new ATOM 0 HA LEU A 108 4.111 -4.736 18.744 1.00 2.05 H new ATOM 0 HB2 LEU A 108 3.394 -7.462 17.611 1.00 23.21 H new ATOM 0 HB3 LEU A 108 2.302 -6.471 18.558 1.00 23.21 H new ATOM 0 HG LEU A 108 3.528 -5.451 15.995 1.00 33.05 H new ATOM 0 HD11 LEU A 108 1.482 -6.185 14.834 1.00 2.35 H new ATOM 0 HD12 LEU A 108 2.414 -7.563 15.467 1.00 2.35 H new ATOM 0 HD13 LEU A 108 0.947 -7.017 16.314 1.00 2.35 H new ATOM 0 HD21 LEU A 108 1.529 -4.008 15.994 1.00 32.22 H new ATOM 0 HD22 LEU A 108 0.996 -4.753 17.520 1.00 32.22 H new ATOM 0 HD23 LEU A 108 2.496 -3.796 17.473 1.00 32.22 H new