USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 11 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -150:sc= -0.0171 (180deg=-0.227) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= -0.25 USER MOD Set 2.2: A 69 MET CE :methyl 175:sc= -0.885 (180deg=-0.925) USER MOD Single : A 2 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.73) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0259) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00742 USER MOD Single : A 17 THR OG1 : rot 42:sc= -1.38 USER MOD Single : A 22 THR OG1 : rot 60:sc= -3.24! USER MOD Single : A 27 LYS NZ :NH3+ -123:sc= -1.88 (180deg=-6.8!) USER MOD Single : A 28 GLN : amide:sc= -1.04 K(o=-1,f=-3.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= -5.62! C(o=-5.6!,f=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= 1.11 (180deg=0.636) USER MOD Single : A 49 GLN : amide:sc= -0.196 K(o=-0.2,f=-3.7!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 56 MET CE :methyl 142:sc= -0.342 (180deg=-1.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0969 X(o=-0.097,f=-0.063) USER MOD Single : A 62 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -71:sc= -1.58 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 3.540 -2.149 -1.586 1.00 61.45 N ATOM 19 CA GLN A 2 3.650 -3.603 -1.572 1.00 70.30 C ATOM 20 C GLN A 2 3.342 -4.186 -2.947 1.00 61.23 C ATOM 21 O GLN A 2 2.556 -3.622 -3.709 1.00 64.03 O ATOM 22 CB GLN A 2 2.701 -4.197 -0.529 1.00 63.23 C ATOM 23 CG GLN A 2 1.257 -4.275 -0.996 1.00 34.14 C ATOM 24 CD GLN A 2 0.681 -2.916 -1.343 1.00 64.22 C ATOM 25 OE1 GLN A 2 0.207 -2.697 -2.458 1.00 44.42 O ATOM 26 NE2 GLN A 2 0.720 -1.995 -0.388 1.00 12.13 N ATOM 0 HA GLN A 2 4.676 -3.862 -1.310 1.00 70.30 H new ATOM 0 HB2 GLN A 2 3.044 -5.198 -0.266 1.00 63.23 H new ATOM 0 HB3 GLN A 2 2.749 -3.595 0.378 1.00 63.23 H new ATOM 0 HG2 GLN A 2 1.196 -4.925 -1.869 1.00 34.14 H new ATOM 0 HG3 GLN A 2 0.651 -4.733 -0.215 1.00 34.14 H new ATOM 0 HE21 GLN A 2 1.122 -2.220 0.522 1.00 12.13 H new ATOM 0 HE22 GLN A 2 0.348 -1.062 -0.564 1.00 12.13 H new ATOM 35 N ILE A 3 3.966 -5.317 -3.258 1.00 61.32 N ATOM 36 CA ILE A 3 3.758 -5.976 -4.541 1.00 73.45 C ATOM 37 C ILE A 3 3.784 -7.494 -4.391 1.00 14.41 C ATOM 38 O ILE A 3 4.140 -8.018 -3.335 1.00 45.55 O ATOM 39 CB ILE A 3 4.824 -5.556 -5.570 1.00 51.51 C ATOM 40 CG1 ILE A 3 6.125 -6.324 -5.331 1.00 44.35 C ATOM 41 CG2 ILE A 3 5.067 -4.055 -5.498 1.00 31.45 C ATOM 42 CD1 ILE A 3 6.695 -6.131 -3.944 1.00 1.24 C ATOM 0 H ILE A 3 4.620 -5.796 -2.639 1.00 61.32 H new ATOM 0 HA ILE A 3 2.777 -5.665 -4.899 1.00 73.45 H new ATOM 0 HB ILE A 3 4.460 -5.798 -6.568 1.00 51.51 H new ATOM 0 HG12 ILE A 3 5.946 -7.386 -5.497 1.00 44.35 H new ATOM 0 HG13 ILE A 3 6.865 -6.007 -6.066 1.00 44.35 H new ATOM 0 HG21 ILE A 3 5.823 -3.773 -6.231 1.00 31.45 H new ATOM 0 HG22 ILE A 3 4.139 -3.525 -5.712 1.00 31.45 H new ATOM 0 HG23 ILE A 3 5.414 -3.790 -4.499 1.00 31.45 H new ATOM 0 HD11 ILE A 3 7.617 -6.705 -3.846 1.00 1.24 H new ATOM 0 HD12 ILE A 3 6.906 -5.074 -3.781 1.00 1.24 H new ATOM 0 HD13 ILE A 3 5.973 -6.475 -3.203 1.00 1.24 H new ATOM 54 N PHE A 4 3.405 -8.195 -5.454 1.00 53.33 N ATOM 55 CA PHE A 4 3.385 -9.653 -5.441 1.00 41.23 C ATOM 56 C PHE A 4 4.526 -10.220 -6.281 1.00 2.50 C ATOM 57 O PHE A 4 4.824 -9.715 -7.364 1.00 74.12 O ATOM 58 CB PHE A 4 2.045 -10.171 -5.966 1.00 55.35 C ATOM 59 CG PHE A 4 0.934 -10.091 -4.958 1.00 24.02 C ATOM 60 CD1 PHE A 4 0.503 -8.865 -4.478 1.00 51.23 C ATOM 61 CD2 PHE A 4 0.323 -11.242 -4.489 1.00 32.52 C ATOM 62 CE1 PHE A 4 -0.519 -8.788 -3.550 1.00 44.14 C ATOM 63 CE2 PHE A 4 -0.699 -11.172 -3.561 1.00 54.24 C ATOM 64 CZ PHE A 4 -1.120 -9.943 -3.091 1.00 22.14 C ATOM 0 H PHE A 4 3.107 -7.777 -6.336 1.00 53.33 H new ATOM 0 HA PHE A 4 3.516 -9.984 -4.411 1.00 41.23 H new ATOM 0 HB2 PHE A 4 1.765 -9.598 -6.850 1.00 55.35 H new ATOM 0 HB3 PHE A 4 2.164 -11.207 -6.282 1.00 55.35 H new ATOM 0 HD1 PHE A 4 0.971 -7.959 -4.833 1.00 51.23 H new ATOM 0 HD2 PHE A 4 0.649 -12.205 -4.853 1.00 32.52 H new ATOM 0 HE1 PHE A 4 -0.847 -7.826 -3.185 1.00 44.14 H new ATOM 0 HE2 PHE A 4 -1.168 -12.077 -3.204 1.00 54.24 H new ATOM 0 HZ PHE A 4 -1.918 -9.886 -2.366 1.00 22.14 H new ATOM 74 N ILE A 5 5.162 -11.270 -5.773 1.00 35.03 N ATOM 75 CA ILE A 5 6.269 -11.906 -6.475 1.00 42.33 C ATOM 76 C ILE A 5 6.042 -13.407 -6.615 1.00 23.10 C ATOM 77 O ILE A 5 5.837 -14.110 -5.625 1.00 63.33 O ATOM 78 CB ILE A 5 7.607 -11.665 -5.751 1.00 61.24 C ATOM 79 CG1 ILE A 5 7.886 -10.165 -5.634 1.00 62.42 C ATOM 80 CG2 ILE A 5 8.740 -12.364 -6.487 1.00 65.41 C ATOM 81 CD1 ILE A 5 7.606 -9.604 -4.258 1.00 33.44 C ATOM 0 H ILE A 5 4.929 -11.698 -4.877 1.00 35.03 H new ATOM 0 HA ILE A 5 6.315 -11.455 -7.466 1.00 42.33 H new ATOM 0 HB ILE A 5 7.540 -12.082 -4.746 1.00 61.24 H new ATOM 0 HG12 ILE A 5 8.929 -9.977 -5.889 1.00 62.42 H new ATOM 0 HG13 ILE A 5 7.278 -9.632 -6.365 1.00 62.42 H new ATOM 0 HG21 ILE A 5 9.679 -12.185 -5.964 1.00 65.41 H new ATOM 0 HG22 ILE A 5 8.544 -13.436 -6.523 1.00 65.41 H new ATOM 0 HG23 ILE A 5 8.810 -11.973 -7.502 1.00 65.41 H new ATOM 0 HD11 ILE A 5 7.826 -8.536 -4.249 1.00 33.44 H new ATOM 0 HD12 ILE A 5 6.557 -9.761 -4.008 1.00 33.44 H new ATOM 0 HD13 ILE A 5 8.233 -10.110 -3.524 1.00 33.44 H new ATOM 93 N LYS A 6 6.082 -13.893 -7.851 1.00 22.41 N ATOM 94 CA LYS A 6 5.884 -15.312 -8.122 1.00 64.30 C ATOM 95 C LYS A 6 7.199 -15.980 -8.514 1.00 12.15 C ATOM 96 O LYS A 6 7.977 -15.433 -9.296 1.00 13.31 O ATOM 97 CB LYS A 6 4.853 -15.501 -9.237 1.00 13.44 C ATOM 98 CG LYS A 6 4.590 -16.956 -9.583 1.00 31.04 C ATOM 99 CD LYS A 6 3.912 -17.094 -10.935 1.00 40.15 C ATOM 100 CE LYS A 6 4.930 -17.191 -12.062 1.00 12.34 C ATOM 101 NZ LYS A 6 5.561 -18.538 -12.125 1.00 31.04 N ATOM 0 H LYS A 6 6.250 -13.325 -8.681 1.00 22.41 H new ATOM 0 HA LYS A 6 5.515 -15.782 -7.210 1.00 64.30 H new ATOM 0 HB2 LYS A 6 3.916 -15.033 -8.937 1.00 13.44 H new ATOM 0 HB3 LYS A 6 5.197 -14.980 -10.131 1.00 13.44 H new ATOM 0 HG2 LYS A 6 5.531 -17.505 -9.589 1.00 31.04 H new ATOM 0 HG3 LYS A 6 3.963 -17.406 -8.813 1.00 31.04 H new ATOM 0 HD2 LYS A 6 3.280 -17.982 -10.937 1.00 40.15 H new ATOM 0 HD3 LYS A 6 3.260 -16.238 -11.105 1.00 40.15 H new ATOM 0 HE2 LYS A 6 4.442 -16.974 -13.012 1.00 12.34 H new ATOM 0 HE3 LYS A 6 5.702 -16.435 -11.920 1.00 12.34 H new ATOM 0 HZ1 LYS A 6 6.158 -18.602 -12.974 1.00 31.04 H new ATOM 0 HZ2 LYS A 6 6.146 -18.687 -11.278 1.00 31.04 H new ATOM 0 HZ3 LYS A 6 4.820 -19.267 -12.167 1.00 31.04 H new ATOM 115 N THR A 7 7.441 -17.167 -7.966 1.00 11.24 N ATOM 116 CA THR A 7 8.661 -17.909 -8.258 1.00 34.02 C ATOM 117 C THR A 7 8.358 -19.169 -9.060 1.00 64.34 C ATOM 118 O THR A 7 7.197 -19.536 -9.247 1.00 2.34 O ATOM 119 CB THR A 7 9.402 -18.302 -6.966 1.00 61.12 C ATOM 120 OG1 THR A 7 10.674 -18.876 -7.287 1.00 4.41 O ATOM 121 CG2 THR A 7 8.584 -19.294 -6.153 1.00 12.41 C ATOM 0 H THR A 7 6.808 -17.635 -7.317 1.00 11.24 H new ATOM 0 HA THR A 7 9.299 -17.250 -8.848 1.00 34.02 H new ATOM 0 HB THR A 7 9.549 -17.402 -6.370 1.00 61.12 H new ATOM 0 HG1 THR A 7 11.140 -19.122 -6.461 1.00 4.41 H new ATOM 0 HG21 THR A 7 9.128 -19.557 -5.246 1.00 12.41 H new ATOM 0 HG22 THR A 7 7.628 -18.844 -5.886 1.00 12.41 H new ATOM 0 HG23 THR A 7 8.410 -20.193 -6.744 1.00 12.41 H new ATOM 129 N LEU A 8 9.409 -19.830 -9.533 1.00 44.14 N ATOM 130 CA LEU A 8 9.256 -21.051 -10.316 1.00 64.43 C ATOM 131 C LEU A 8 8.553 -22.134 -9.504 1.00 71.12 C ATOM 132 O LEU A 8 7.914 -23.028 -10.061 1.00 42.43 O ATOM 133 CB LEU A 8 10.623 -21.555 -10.784 1.00 32.42 C ATOM 134 CG LEU A 8 10.679 -22.123 -12.202 1.00 63.25 C ATOM 135 CD1 LEU A 8 9.740 -23.311 -12.340 1.00 31.23 C ATOM 136 CD2 LEU A 8 10.334 -21.047 -13.222 1.00 30.33 C ATOM 0 H LEU A 8 10.376 -19.541 -9.388 1.00 44.14 H new ATOM 0 HA LEU A 8 8.643 -20.820 -11.187 1.00 64.43 H new ATOM 0 HB2 LEU A 8 11.334 -20.732 -10.715 1.00 32.42 H new ATOM 0 HB3 LEU A 8 10.960 -22.326 -10.092 1.00 32.42 H new ATOM 0 HG LEU A 8 11.696 -22.466 -12.395 1.00 63.25 H new ATOM 0 HD11 LEU A 8 9.794 -23.701 -13.356 1.00 31.23 H new ATOM 0 HD12 LEU A 8 10.033 -24.090 -11.636 1.00 31.23 H new ATOM 0 HD13 LEU A 8 8.719 -22.994 -12.127 1.00 31.23 H new ATOM 0 HD21 LEU A 8 10.379 -21.469 -14.226 1.00 30.33 H new ATOM 0 HD22 LEU A 8 9.328 -20.673 -13.030 1.00 30.33 H new ATOM 0 HD23 LEU A 8 11.047 -20.227 -13.141 1.00 30.33 H new ATOM 148 N THR A 9 8.672 -22.047 -8.183 1.00 23.31 N ATOM 149 CA THR A 9 8.047 -23.018 -7.294 1.00 24.33 C ATOM 150 C THR A 9 6.557 -22.741 -7.137 1.00 54.13 C ATOM 151 O THR A 9 5.822 -23.547 -6.569 1.00 75.30 O ATOM 152 CB THR A 9 8.708 -23.012 -5.902 1.00 71.11 C ATOM 153 OG1 THR A 9 10.119 -22.804 -6.030 1.00 52.14 O ATOM 154 CG2 THR A 9 8.448 -24.322 -5.174 1.00 34.03 C ATOM 0 H THR A 9 9.196 -21.314 -7.705 1.00 23.31 H new ATOM 0 HA THR A 9 8.185 -23.998 -7.750 1.00 24.33 H new ATOM 0 HB THR A 9 8.273 -22.199 -5.321 1.00 71.11 H new ATOM 0 HG1 THR A 9 10.531 -22.800 -5.141 1.00 52.14 H new ATOM 0 HG21 THR A 9 8.924 -24.294 -4.194 1.00 34.03 H new ATOM 0 HG22 THR A 9 7.374 -24.463 -5.052 1.00 34.03 H new ATOM 0 HG23 THR A 9 8.859 -25.148 -5.754 1.00 34.03 H new ATOM 162 N GLY A 10 6.116 -21.594 -7.646 1.00 71.33 N ATOM 163 CA GLY A 10 4.714 -21.232 -7.553 1.00 52.41 C ATOM 164 C GLY A 10 4.393 -20.478 -6.277 1.00 64.43 C ATOM 165 O GLY A 10 3.296 -19.943 -6.122 1.00 54.01 O ATOM 0 H GLY A 10 6.705 -20.910 -8.121 1.00 71.33 H new ATOM 0 HA2 GLY A 10 4.443 -20.618 -8.412 1.00 52.41 H new ATOM 0 HA3 GLY A 10 4.105 -22.135 -7.601 1.00 52.41 H new ATOM 169 N LYS A 11 5.353 -20.437 -5.359 1.00 63.44 N ATOM 170 CA LYS A 11 5.169 -19.745 -4.090 1.00 2.15 C ATOM 171 C LYS A 11 4.921 -18.257 -4.312 1.00 54.45 C ATOM 172 O LYS A 11 5.494 -17.649 -5.217 1.00 42.11 O ATOM 173 CB LYS A 11 6.396 -19.940 -3.196 1.00 44.33 C ATOM 174 CG LYS A 11 6.076 -19.930 -1.712 1.00 12.44 C ATOM 175 CD LYS A 11 7.323 -19.703 -0.873 1.00 52.44 C ATOM 176 CE LYS A 11 7.111 -20.136 0.569 1.00 23.20 C ATOM 177 NZ LYS A 11 8.360 -20.021 1.372 1.00 63.24 N ATOM 0 H LYS A 11 6.267 -20.876 -5.471 1.00 63.44 H new ATOM 0 HA LYS A 11 4.296 -20.171 -3.596 1.00 2.15 H new ATOM 0 HB2 LYS A 11 6.873 -20.887 -3.450 1.00 44.33 H new ATOM 0 HB3 LYS A 11 7.119 -19.152 -3.408 1.00 44.33 H new ATOM 0 HG2 LYS A 11 5.347 -19.147 -1.501 1.00 12.44 H new ATOM 0 HG3 LYS A 11 5.616 -20.877 -1.432 1.00 12.44 H new ATOM 0 HD2 LYS A 11 8.157 -20.258 -1.302 1.00 52.44 H new ATOM 0 HD3 LYS A 11 7.594 -18.648 -0.901 1.00 52.44 H new ATOM 0 HE2 LYS A 11 6.331 -19.524 1.021 1.00 23.20 H new ATOM 0 HE3 LYS A 11 6.759 -21.167 0.590 1.00 23.20 H new ATOM 0 HZ1 LYS A 11 8.183 -20.357 2.340 1.00 63.24 H new ATOM 0 HZ2 LYS A 11 9.107 -20.598 0.936 1.00 63.24 H new ATOM 0 HZ3 LYS A 11 8.664 -19.027 1.401 1.00 63.24 H new ATOM 191 N THR A 12 4.063 -17.673 -3.481 1.00 33.20 N ATOM 192 CA THR A 12 3.739 -16.256 -3.587 1.00 72.32 C ATOM 193 C THR A 12 4.472 -15.444 -2.526 1.00 15.33 C ATOM 194 O THR A 12 4.148 -15.519 -1.340 1.00 52.11 O ATOM 195 CB THR A 12 2.224 -16.014 -3.448 1.00 30.33 C ATOM 196 OG1 THR A 12 1.515 -16.766 -4.439 1.00 54.51 O ATOM 197 CG2 THR A 12 1.896 -14.536 -3.594 1.00 4.03 C ATOM 0 H THR A 12 3.580 -18.160 -2.726 1.00 33.20 H new ATOM 0 HA THR A 12 4.062 -15.931 -4.576 1.00 72.32 H new ATOM 0 HB THR A 12 1.916 -16.341 -2.455 1.00 30.33 H new ATOM 0 HG1 THR A 12 0.553 -16.608 -4.343 1.00 54.51 H new ATOM 0 HG21 THR A 12 0.821 -14.390 -3.492 1.00 4.03 H new ATOM 0 HG22 THR A 12 2.414 -13.970 -2.820 1.00 4.03 H new ATOM 0 HG23 THR A 12 2.218 -14.187 -4.575 1.00 4.03 H new ATOM 205 N ILE A 13 5.459 -14.667 -2.959 1.00 20.32 N ATOM 206 CA ILE A 13 6.236 -13.839 -2.045 1.00 20.31 C ATOM 207 C ILE A 13 5.784 -12.384 -2.102 1.00 34.22 C ATOM 208 O ILE A 13 5.900 -11.726 -3.136 1.00 2.51 O ATOM 209 CB ILE A 13 7.741 -13.910 -2.363 1.00 23.03 C ATOM 210 CG1 ILE A 13 8.169 -15.361 -2.591 1.00 71.23 C ATOM 211 CG2 ILE A 13 8.550 -13.285 -1.236 1.00 45.22 C ATOM 212 CD1 ILE A 13 8.069 -15.800 -4.035 1.00 71.34 C ATOM 0 H ILE A 13 5.740 -14.594 -3.937 1.00 20.32 H new ATOM 0 HA ILE A 13 6.066 -14.231 -1.042 1.00 20.31 H new ATOM 0 HB ILE A 13 7.931 -13.347 -3.277 1.00 23.03 H new ATOM 0 HG12 ILE A 13 9.197 -15.486 -2.252 1.00 71.23 H new ATOM 0 HG13 ILE A 13 7.550 -16.015 -1.977 1.00 71.23 H new ATOM 0 HG21 ILE A 13 9.612 -13.343 -1.475 1.00 45.22 H new ATOM 0 HG22 ILE A 13 8.261 -12.241 -1.116 1.00 45.22 H new ATOM 0 HG23 ILE A 13 8.357 -13.823 -0.308 1.00 45.22 H new ATOM 0 HD11 ILE A 13 8.388 -16.839 -4.122 1.00 71.34 H new ATOM 0 HD12 ILE A 13 7.037 -15.708 -4.373 1.00 71.34 H new ATOM 0 HD13 ILE A 13 8.710 -15.170 -4.652 1.00 71.34 H new ATOM 224 N THR A 14 5.268 -11.886 -0.982 1.00 73.22 N ATOM 225 CA THR A 14 4.798 -10.509 -0.904 1.00 2.23 C ATOM 226 C THR A 14 5.340 -9.813 0.340 1.00 64.23 C ATOM 227 O THR A 14 5.264 -10.349 1.445 1.00 12.41 O ATOM 228 CB THR A 14 3.260 -10.440 -0.887 1.00 15.22 C ATOM 229 OG1 THR A 14 2.763 -10.876 0.384 1.00 65.14 O ATOM 230 CG2 THR A 14 2.667 -11.302 -1.991 1.00 41.45 C ATOM 0 H THR A 14 5.165 -12.416 -0.117 1.00 73.22 H new ATOM 0 HA THR A 14 5.167 -9.998 -1.793 1.00 2.23 H new ATOM 0 HB THR A 14 2.964 -9.405 -1.057 1.00 15.22 H new ATOM 0 HG1 THR A 14 1.784 -10.827 0.387 1.00 65.14 H new ATOM 0 HG21 THR A 14 1.579 -11.237 -1.959 1.00 41.45 H new ATOM 0 HG22 THR A 14 3.023 -10.949 -2.959 1.00 41.45 H new ATOM 0 HG23 THR A 14 2.973 -12.338 -1.848 1.00 41.45 H new ATOM 238 N ALA A 15 5.888 -8.617 0.152 1.00 52.25 N ATOM 239 CA ALA A 15 6.440 -7.847 1.259 1.00 43.20 C ATOM 240 C ALA A 15 6.709 -6.404 0.844 1.00 23.23 C ATOM 241 O ALA A 15 7.102 -6.139 -0.291 1.00 41.22 O ATOM 242 CB ALA A 15 7.717 -8.498 1.769 1.00 21.15 C ATOM 0 H ALA A 15 5.961 -8.160 -0.757 1.00 52.25 H new ATOM 0 HA ALA A 15 5.705 -7.835 2.063 1.00 43.20 H new ATOM 0 HB1 ALA A 15 8.119 -7.912 2.596 1.00 21.15 H new ATOM 0 HB2 ALA A 15 7.498 -9.509 2.113 1.00 21.15 H new ATOM 0 HB3 ALA A 15 8.451 -8.540 0.964 1.00 21.15 H new ATOM 248 N GLU A 16 6.494 -5.477 1.772 1.00 4.31 N ATOM 249 CA GLU A 16 6.713 -4.061 1.501 1.00 53.34 C ATOM 250 C GLU A 16 8.203 -3.734 1.482 1.00 2.21 C ATOM 251 O GLU A 16 8.985 -4.302 2.245 1.00 64.43 O ATOM 252 CB GLU A 16 6.004 -3.202 2.550 1.00 21.24 C ATOM 253 CG GLU A 16 5.856 -1.745 2.146 1.00 23.01 C ATOM 254 CD GLU A 16 5.411 -0.863 3.296 1.00 2.32 C ATOM 255 OE1 GLU A 16 4.387 -1.189 3.932 1.00 72.53 O ATOM 256 OE2 GLU A 16 6.086 0.154 3.561 1.00 63.14 O ATOM 0 H GLU A 16 6.169 -5.681 2.717 1.00 4.31 H new ATOM 0 HA GLU A 16 6.298 -3.838 0.518 1.00 53.34 H new ATOM 0 HB2 GLU A 16 5.015 -3.619 2.741 1.00 21.24 H new ATOM 0 HB3 GLU A 16 6.559 -3.256 3.487 1.00 21.24 H new ATOM 0 HG2 GLU A 16 6.808 -1.380 1.761 1.00 23.01 H new ATOM 0 HG3 GLU A 16 5.133 -1.669 1.334 1.00 23.01 H new ATOM 263 N THR A 17 8.590 -2.813 0.604 1.00 23.34 N ATOM 264 CA THR A 17 9.986 -2.411 0.484 1.00 30.11 C ATOM 265 C THR A 17 10.110 -0.903 0.303 1.00 52.41 C ATOM 266 O THR A 17 9.143 -0.230 -0.055 1.00 64.52 O ATOM 267 CB THR A 17 10.674 -3.117 -0.700 1.00 20.15 C ATOM 268 OG1 THR A 17 12.049 -2.724 -0.772 1.00 50.03 O ATOM 269 CG2 THR A 17 9.976 -2.783 -2.009 1.00 53.10 C ATOM 0 H THR A 17 7.956 -2.332 -0.034 1.00 23.34 H new ATOM 0 HA THR A 17 10.480 -2.705 1.410 1.00 30.11 H new ATOM 0 HB THR A 17 10.612 -4.193 -0.539 1.00 20.15 H new ATOM 0 HG1 THR A 17 12.430 -2.700 0.131 1.00 50.03 H new ATOM 0 HG21 THR A 17 10.480 -3.293 -2.830 1.00 53.10 H new ATOM 0 HG22 THR A 17 8.937 -3.110 -1.961 1.00 53.10 H new ATOM 0 HG23 THR A 17 10.010 -1.706 -2.175 1.00 53.10 H new ATOM 277 N GLU A 18 11.305 -0.377 0.552 1.00 64.41 N ATOM 278 CA GLU A 18 11.554 1.053 0.416 1.00 61.13 C ATOM 279 C GLU A 18 12.203 1.367 -0.929 1.00 63.31 C ATOM 280 O GLU A 18 12.777 0.499 -1.587 1.00 64.13 O ATOM 281 CB GLU A 18 12.448 1.548 1.554 1.00 4.32 C ATOM 282 CG GLU A 18 11.677 1.987 2.788 1.00 72.44 C ATOM 283 CD GLU A 18 12.506 1.904 4.054 1.00 2.14 C ATOM 284 OE1 GLU A 18 12.101 1.172 4.982 1.00 53.15 O ATOM 285 OE2 GLU A 18 13.560 2.571 4.119 1.00 52.10 O ATOM 0 H GLU A 18 12.116 -0.920 0.849 1.00 64.41 H new ATOM 0 HA GLU A 18 10.595 1.569 0.466 1.00 61.13 H new ATOM 0 HB2 GLU A 18 13.141 0.754 1.832 1.00 4.32 H new ATOM 0 HB3 GLU A 18 13.049 2.384 1.195 1.00 4.32 H new ATOM 0 HG2 GLU A 18 11.332 3.012 2.651 1.00 72.44 H new ATOM 0 HG3 GLU A 18 10.789 1.364 2.898 1.00 72.44 H new ATOM 292 N PRO A 19 12.111 2.637 -1.348 1.00 53.52 N ATOM 293 CA PRO A 19 12.683 3.096 -2.618 1.00 14.03 C ATOM 294 C PRO A 19 14.207 3.112 -2.594 1.00 62.15 C ATOM 295 O PRO A 19 14.855 2.852 -3.608 1.00 25.24 O ATOM 296 CB PRO A 19 12.135 4.518 -2.760 1.00 42.41 C ATOM 297 CG PRO A 19 11.859 4.959 -1.364 1.00 52.53 C ATOM 298 CD PRO A 19 11.441 3.725 -0.615 1.00 31.41 C ATOM 0 HA PRO A 19 12.419 2.438 -3.446 1.00 14.03 H new ATOM 0 HB2 PRO A 19 12.857 5.174 -3.247 1.00 42.41 H new ATOM 0 HB3 PRO A 19 11.230 4.535 -3.367 1.00 42.41 H new ATOM 0 HG2 PRO A 19 12.745 5.407 -0.914 1.00 52.53 H new ATOM 0 HG3 PRO A 19 11.073 5.714 -1.341 1.00 52.53 H new ATOM 0 HD2 PRO A 19 11.757 3.761 0.427 1.00 31.41 H new ATOM 0 HD3 PRO A 19 10.358 3.602 -0.615 1.00 31.41 H new ATOM 306 N ALA A 20 14.774 3.418 -1.432 1.00 14.21 N ATOM 307 CA ALA A 20 16.222 3.465 -1.277 1.00 1.23 C ATOM 308 C ALA A 20 16.839 2.082 -1.458 1.00 12.34 C ATOM 309 O ALA A 20 18.004 1.957 -1.834 1.00 55.22 O ATOM 310 CB ALA A 20 16.589 4.035 0.086 1.00 73.42 C ATOM 0 H ALA A 20 14.252 3.637 -0.584 1.00 14.21 H new ATOM 0 HA ALA A 20 16.624 4.118 -2.052 1.00 1.23 H new ATOM 0 HB1 ALA A 20 17.674 4.064 0.188 1.00 73.42 H new ATOM 0 HB2 ALA A 20 16.189 5.045 0.178 1.00 73.42 H new ATOM 0 HB3 ALA A 20 16.168 3.405 0.869 1.00 73.42 H new ATOM 316 N GLU A 21 16.050 1.047 -1.186 1.00 11.41 N ATOM 317 CA GLU A 21 16.521 -0.326 -1.318 1.00 33.43 C ATOM 318 C GLU A 21 15.389 -1.250 -1.759 1.00 15.50 C ATOM 319 O GLU A 21 15.049 -2.210 -1.067 1.00 71.01 O ATOM 320 CB GLU A 21 17.107 -0.818 0.008 1.00 53.44 C ATOM 321 CG GLU A 21 18.500 -0.283 0.292 1.00 3.02 C ATOM 322 CD GLU A 21 18.919 -0.485 1.736 1.00 51.44 C ATOM 323 OE1 GLU A 21 18.215 0.024 2.633 1.00 30.24 O ATOM 324 OE2 GLU A 21 19.950 -1.150 1.968 1.00 53.04 O ATOM 0 H GLU A 21 15.083 1.134 -0.873 1.00 11.41 H new ATOM 0 HA GLU A 21 17.300 -0.343 -2.080 1.00 33.43 H new ATOM 0 HB2 GLU A 21 16.442 -0.526 0.820 1.00 53.44 H new ATOM 0 HB3 GLU A 21 17.140 -1.907 -0.001 1.00 53.44 H new ATOM 0 HG2 GLU A 21 19.216 -0.779 -0.363 1.00 3.02 H new ATOM 0 HG3 GLU A 21 18.533 0.780 0.053 1.00 3.02 H new ATOM 331 N THR A 22 14.807 -0.951 -2.917 1.00 35.25 N ATOM 332 CA THR A 22 13.712 -1.752 -3.450 1.00 52.43 C ATOM 333 C THR A 22 14.185 -3.153 -3.821 1.00 11.50 C ATOM 334 O THR A 22 13.606 -4.149 -3.388 1.00 22.11 O ATOM 335 CB THR A 22 13.084 -1.089 -4.691 1.00 43.12 C ATOM 336 OG1 THR A 22 14.017 -0.180 -5.286 1.00 4.35 O ATOM 337 CG2 THR A 22 11.810 -0.346 -4.321 1.00 54.43 C ATOM 0 H THR A 22 15.076 -0.161 -3.503 1.00 35.25 H new ATOM 0 HA THR A 22 12.960 -1.822 -2.664 1.00 52.43 H new ATOM 0 HB THR A 22 12.834 -1.872 -5.407 1.00 43.12 H new ATOM 0 HG1 THR A 22 14.824 -0.668 -5.553 1.00 4.35 H new ATOM 0 HG21 THR A 22 11.385 0.114 -5.213 1.00 54.43 H new ATOM 0 HG22 THR A 22 11.091 -1.046 -3.896 1.00 54.43 H new ATOM 0 HG23 THR A 22 12.040 0.428 -3.588 1.00 54.43 H new ATOM 345 N VAL A 23 15.241 -3.222 -4.625 1.00 23.01 N ATOM 346 CA VAL A 23 15.794 -4.502 -5.052 1.00 53.25 C ATOM 347 C VAL A 23 16.605 -5.151 -3.937 1.00 13.34 C ATOM 348 O VAL A 23 16.473 -6.346 -3.674 1.00 44.23 O ATOM 349 CB VAL A 23 16.689 -4.340 -6.295 1.00 40.52 C ATOM 350 CG1 VAL A 23 17.321 -5.670 -6.676 1.00 1.24 C ATOM 351 CG2 VAL A 23 15.889 -3.768 -7.457 1.00 24.45 C ATOM 0 H VAL A 23 15.731 -2.407 -4.994 1.00 23.01 H new ATOM 0 HA VAL A 23 14.949 -5.143 -5.302 1.00 53.25 H new ATOM 0 HB VAL A 23 17.490 -3.640 -6.055 1.00 40.52 H new ATOM 0 HG11 VAL A 23 17.950 -5.535 -7.556 1.00 1.24 H new ATOM 0 HG12 VAL A 23 17.929 -6.034 -5.848 1.00 1.24 H new ATOM 0 HG13 VAL A 23 16.538 -6.395 -6.897 1.00 1.24 H new ATOM 0 HG21 VAL A 23 16.537 -3.660 -8.327 1.00 24.45 H new ATOM 0 HG22 VAL A 23 15.066 -4.441 -7.699 1.00 24.45 H new ATOM 0 HG23 VAL A 23 15.490 -2.793 -7.179 1.00 24.45 H new ATOM 361 N ALA A 24 17.443 -4.354 -3.282 1.00 23.11 N ATOM 362 CA ALA A 24 18.274 -4.850 -2.192 1.00 23.20 C ATOM 363 C ALA A 24 17.429 -5.544 -1.129 1.00 61.23 C ATOM 364 O ALA A 24 17.731 -6.664 -0.716 1.00 3.22 O ATOM 365 CB ALA A 24 19.070 -3.710 -1.574 1.00 64.13 C ATOM 0 H ALA A 24 17.564 -3.362 -3.487 1.00 23.11 H new ATOM 0 HA ALA A 24 18.968 -5.583 -2.603 1.00 23.20 H new ATOM 0 HB1 ALA A 24 19.686 -4.095 -0.761 1.00 64.13 H new ATOM 0 HB2 ALA A 24 19.710 -3.260 -2.333 1.00 64.13 H new ATOM 0 HB3 ALA A 24 18.385 -2.957 -1.184 1.00 64.13 H new ATOM 371 N ASP A 25 16.370 -4.873 -0.691 1.00 1.32 N ATOM 372 CA ASP A 25 15.481 -5.425 0.324 1.00 34.40 C ATOM 373 C ASP A 25 14.863 -6.737 -0.151 1.00 20.02 C ATOM 374 O ASP A 25 14.706 -7.679 0.627 1.00 63.31 O ATOM 375 CB ASP A 25 14.378 -4.423 0.667 1.00 12.30 C ATOM 376 CG ASP A 25 13.295 -5.029 1.538 1.00 0.52 C ATOM 377 OD1 ASP A 25 12.116 -5.001 1.125 1.00 24.24 O ATOM 378 OD2 ASP A 25 13.626 -5.531 2.632 1.00 2.33 O ATOM 0 H ASP A 25 16.106 -3.945 -1.023 1.00 1.32 H new ATOM 0 HA ASP A 25 16.071 -5.624 1.219 1.00 34.40 H new ATOM 0 HB2 ASP A 25 14.816 -3.567 1.180 1.00 12.30 H new ATOM 0 HB3 ASP A 25 13.932 -4.049 -0.254 1.00 12.30 H new ATOM 383 N LEU A 26 14.513 -6.791 -1.431 1.00 40.31 N ATOM 384 CA LEU A 26 13.911 -7.987 -2.010 1.00 41.22 C ATOM 385 C LEU A 26 14.932 -9.116 -2.110 1.00 75.04 C ATOM 386 O LEU A 26 14.596 -10.288 -1.936 1.00 4.20 O ATOM 387 CB LEU A 26 13.341 -7.675 -3.395 1.00 33.20 C ATOM 388 CG LEU A 26 11.820 -7.768 -3.531 1.00 45.10 C ATOM 389 CD1 LEU A 26 11.396 -7.504 -4.967 1.00 60.24 C ATOM 390 CD2 LEU A 26 11.326 -9.131 -3.068 1.00 53.54 C ATOM 0 H LEU A 26 14.636 -6.021 -2.088 1.00 40.31 H new ATOM 0 HA LEU A 26 13.102 -8.311 -1.355 1.00 41.22 H new ATOM 0 HB2 LEU A 26 13.650 -6.668 -3.675 1.00 33.20 H new ATOM 0 HB3 LEU A 26 13.793 -8.358 -4.114 1.00 33.20 H new ATOM 0 HG LEU A 26 11.370 -7.006 -2.895 1.00 45.10 H new ATOM 0 HD11 LEU A 26 10.311 -7.574 -5.045 1.00 60.24 H new ATOM 0 HD12 LEU A 26 11.717 -6.505 -5.263 1.00 60.24 H new ATOM 0 HD13 LEU A 26 11.855 -8.243 -5.624 1.00 60.24 H new ATOM 0 HD21 LEU A 26 10.242 -9.180 -3.172 1.00 53.54 H new ATOM 0 HD22 LEU A 26 11.784 -9.910 -3.677 1.00 53.54 H new ATOM 0 HD23 LEU A 26 11.598 -9.281 -2.023 1.00 53.54 H new ATOM 402 N LYS A 27 16.179 -8.756 -2.391 1.00 4.35 N ATOM 403 CA LYS A 27 17.251 -9.737 -2.511 1.00 20.15 C ATOM 404 C LYS A 27 17.669 -10.257 -1.139 1.00 32.02 C ATOM 405 O LYS A 27 17.915 -11.450 -0.967 1.00 31.43 O ATOM 406 CB LYS A 27 18.457 -9.121 -3.223 1.00 61.13 C ATOM 407 CG LYS A 27 18.138 -8.589 -4.610 1.00 30.33 C ATOM 408 CD LYS A 27 18.429 -9.623 -5.684 1.00 61.43 C ATOM 409 CE LYS A 27 17.178 -10.401 -6.063 1.00 51.44 C ATOM 410 NZ LYS A 27 17.078 -11.688 -5.321 1.00 44.13 N ATOM 0 H LYS A 27 16.473 -7.791 -2.540 1.00 4.35 H new ATOM 0 HA LYS A 27 16.878 -10.575 -3.100 1.00 20.15 H new ATOM 0 HB2 LYS A 27 18.852 -8.308 -2.613 1.00 61.13 H new ATOM 0 HB3 LYS A 27 19.244 -9.871 -3.303 1.00 61.13 H new ATOM 0 HG2 LYS A 27 17.088 -8.300 -4.657 1.00 30.33 H new ATOM 0 HG3 LYS A 27 18.725 -7.691 -4.800 1.00 30.33 H new ATOM 0 HD2 LYS A 27 18.832 -9.128 -6.567 1.00 61.43 H new ATOM 0 HD3 LYS A 27 19.194 -10.313 -5.328 1.00 61.43 H new ATOM 0 HE2 LYS A 27 16.297 -9.794 -5.857 1.00 51.44 H new ATOM 0 HE3 LYS A 27 17.185 -10.600 -7.135 1.00 51.44 H new ATOM 0 HZ1 LYS A 27 17.013 -12.475 -5.998 1.00 44.13 H new ATOM 0 HZ2 LYS A 27 17.922 -11.812 -4.726 1.00 44.13 H new ATOM 0 HZ3 LYS A 27 16.229 -11.677 -4.720 1.00 44.13 H new ATOM 424 N GLN A 28 17.745 -9.354 -0.167 1.00 2.23 N ATOM 425 CA GLN A 28 18.132 -9.723 1.190 1.00 45.03 C ATOM 426 C GLN A 28 17.003 -10.468 1.894 1.00 5.25 C ATOM 427 O GLN A 28 17.246 -11.376 2.690 1.00 53.21 O ATOM 428 CB GLN A 28 18.515 -8.477 1.990 1.00 23.14 C ATOM 429 CG GLN A 28 18.735 -8.748 3.470 1.00 70.41 C ATOM 430 CD GLN A 28 17.464 -8.607 4.284 1.00 1.32 C ATOM 431 OE1 GLN A 28 16.454 -8.098 3.797 1.00 62.12 O ATOM 432 NE2 GLN A 28 17.507 -9.057 5.533 1.00 63.34 N ATOM 0 H GLN A 28 17.544 -8.362 -0.293 1.00 2.23 H new ATOM 0 HA GLN A 28 18.996 -10.385 1.128 1.00 45.03 H new ATOM 0 HB2 GLN A 28 19.425 -8.050 1.568 1.00 23.14 H new ATOM 0 HB3 GLN A 28 17.730 -7.729 1.879 1.00 23.14 H new ATOM 0 HG2 GLN A 28 19.133 -9.755 3.596 1.00 70.41 H new ATOM 0 HG3 GLN A 28 19.486 -8.058 3.854 1.00 70.41 H new ATOM 0 HE21 GLN A 28 18.365 -9.472 5.896 1.00 63.34 H new ATOM 0 HE22 GLN A 28 16.682 -8.988 6.129 1.00 63.34 H new ATOM 441 N LYS A 29 15.768 -10.078 1.598 1.00 45.31 N ATOM 442 CA LYS A 29 14.601 -10.708 2.202 1.00 74.23 C ATOM 443 C LYS A 29 14.595 -12.210 1.936 1.00 31.22 C ATOM 444 O LYS A 29 14.436 -13.012 2.857 1.00 13.11 O ATOM 445 CB LYS A 29 13.317 -10.078 1.657 1.00 34.40 C ATOM 446 CG LYS A 29 12.050 -10.745 2.164 1.00 34.10 C ATOM 447 CD LYS A 29 11.832 -10.476 3.644 1.00 55.15 C ATOM 448 CE LYS A 29 11.169 -9.126 3.873 1.00 72.22 C ATOM 449 NZ LYS A 29 11.506 -8.562 5.209 1.00 24.30 N ATOM 0 H LYS A 29 15.550 -9.328 0.943 1.00 45.31 H new ATOM 0 HA LYS A 29 14.649 -10.548 3.279 1.00 74.23 H new ATOM 0 HB2 LYS A 29 13.296 -9.023 1.929 1.00 34.40 H new ATOM 0 HB3 LYS A 29 13.332 -10.126 0.568 1.00 34.40 H new ATOM 0 HG2 LYS A 29 11.194 -10.380 1.597 1.00 34.10 H new ATOM 0 HG3 LYS A 29 12.110 -11.820 1.994 1.00 34.10 H new ATOM 0 HD2 LYS A 29 11.212 -11.264 4.071 1.00 55.15 H new ATOM 0 HD3 LYS A 29 12.789 -10.506 4.165 1.00 55.15 H new ATOM 0 HE2 LYS A 29 11.484 -8.430 3.095 1.00 72.22 H new ATOM 0 HE3 LYS A 29 10.088 -9.233 3.786 1.00 72.22 H new ATOM 0 HZ1 LYS A 29 11.035 -7.642 5.326 1.00 24.30 H new ATOM 0 HZ2 LYS A 29 11.183 -9.214 5.952 1.00 24.30 H new ATOM 0 HZ3 LYS A 29 12.536 -8.436 5.283 1.00 24.30 H new ATOM 463 N ILE A 30 14.771 -12.584 0.673 1.00 11.23 N ATOM 464 CA ILE A 30 14.788 -13.990 0.288 1.00 5.44 C ATOM 465 C ILE A 30 16.096 -14.657 0.702 1.00 12.45 C ATOM 466 O ILE A 30 16.120 -15.839 1.044 1.00 44.43 O ATOM 467 CB ILE A 30 14.597 -14.160 -1.230 1.00 52.12 C ATOM 468 CG1 ILE A 30 13.318 -13.455 -1.687 1.00 70.11 C ATOM 469 CG2 ILE A 30 14.554 -15.636 -1.596 1.00 44.04 C ATOM 470 CD1 ILE A 30 13.196 -13.339 -3.190 1.00 41.14 C ATOM 0 H ILE A 30 14.904 -11.933 -0.101 1.00 11.23 H new ATOM 0 HA ILE A 30 13.958 -14.469 0.806 1.00 5.44 H new ATOM 0 HB ILE A 30 15.444 -13.703 -1.742 1.00 52.12 H new ATOM 0 HG12 ILE A 30 12.456 -13.999 -1.302 1.00 70.11 H new ATOM 0 HG13 ILE A 30 13.287 -12.457 -1.250 1.00 70.11 H new ATOM 0 HG21 ILE A 30 14.418 -15.740 -2.673 1.00 44.04 H new ATOM 0 HG22 ILE A 30 15.489 -16.112 -1.300 1.00 44.04 H new ATOM 0 HG23 ILE A 30 13.723 -16.115 -1.078 1.00 44.04 H new ATOM 0 HD11 ILE A 30 12.266 -12.829 -3.441 1.00 41.14 H new ATOM 0 HD12 ILE A 30 14.039 -12.769 -3.581 1.00 41.14 H new ATOM 0 HD13 ILE A 30 13.195 -14.335 -3.633 1.00 41.14 H new ATOM 482 N ALA A 31 17.181 -13.890 0.672 1.00 53.45 N ATOM 483 CA ALA A 31 18.491 -14.405 1.047 1.00 4.14 C ATOM 484 C ALA A 31 18.456 -15.035 2.435 1.00 21.25 C ATOM 485 O ALA A 31 19.023 -16.106 2.656 1.00 13.31 O ATOM 486 CB ALA A 31 19.530 -13.294 0.996 1.00 13.13 C ATOM 0 H ALA A 31 17.178 -12.909 0.392 1.00 53.45 H new ATOM 0 HA ALA A 31 18.768 -15.179 0.331 1.00 4.14 H new ATOM 0 HB1 ALA A 31 20.504 -13.693 1.279 1.00 13.13 H new ATOM 0 HB2 ALA A 31 19.583 -12.891 -0.015 1.00 13.13 H new ATOM 0 HB3 ALA A 31 19.249 -12.501 1.688 1.00 13.13 H new ATOM 492 N ASP A 32 17.788 -14.365 3.368 1.00 42.44 N ATOM 493 CA ASP A 32 17.679 -14.860 4.735 1.00 11.40 C ATOM 494 C ASP A 32 16.668 -15.999 4.821 1.00 10.23 C ATOM 495 O ASP A 32 16.736 -16.837 5.720 1.00 30.15 O ATOM 496 CB ASP A 32 17.272 -13.727 5.679 1.00 33.20 C ATOM 497 CG ASP A 32 16.982 -14.220 7.083 1.00 33.01 C ATOM 498 OD1 ASP A 32 15.837 -14.043 7.550 1.00 73.03 O ATOM 499 OD2 ASP A 32 17.899 -14.784 7.715 1.00 4.50 O ATOM 0 H ASP A 32 17.314 -13.477 3.202 1.00 42.44 H new ATOM 0 HA ASP A 32 18.655 -15.241 5.037 1.00 11.40 H new ATOM 0 HB2 ASP A 32 18.069 -12.984 5.715 1.00 33.20 H new ATOM 0 HB3 ASP A 32 16.388 -13.227 5.283 1.00 33.20 H new ATOM 504 N LYS A 33 15.730 -16.023 3.881 1.00 15.30 N ATOM 505 CA LYS A 33 14.704 -17.058 3.849 1.00 34.34 C ATOM 506 C LYS A 33 15.289 -18.391 3.393 1.00 4.24 C ATOM 507 O LYS A 33 15.029 -19.432 3.996 1.00 52.42 O ATOM 508 CB LYS A 33 13.562 -16.646 2.918 1.00 52.43 C ATOM 509 CG LYS A 33 12.418 -17.644 2.878 1.00 12.03 C ATOM 510 CD LYS A 33 11.184 -17.052 2.218 1.00 72.41 C ATOM 511 CE LYS A 33 11.277 -17.120 0.701 1.00 12.13 C ATOM 512 NZ LYS A 33 11.088 -18.508 0.195 1.00 14.42 N ATOM 0 H LYS A 33 15.659 -15.336 3.130 1.00 15.30 H new ATOM 0 HA LYS A 33 14.315 -17.178 4.860 1.00 34.34 H new ATOM 0 HB2 LYS A 33 13.177 -15.677 3.236 1.00 52.43 H new ATOM 0 HB3 LYS A 33 13.955 -16.517 1.910 1.00 52.43 H new ATOM 0 HG2 LYS A 33 12.730 -18.535 2.334 1.00 12.03 H new ATOM 0 HG3 LYS A 33 12.173 -17.959 3.892 1.00 12.03 H new ATOM 0 HD2 LYS A 33 10.297 -17.589 2.554 1.00 72.41 H new ATOM 0 HD3 LYS A 33 11.065 -16.014 2.530 1.00 72.41 H new ATOM 0 HE2 LYS A 33 10.523 -16.467 0.261 1.00 12.13 H new ATOM 0 HE3 LYS A 33 12.249 -16.746 0.380 1.00 12.13 H new ATOM 0 HZ1 LYS A 33 11.626 -18.633 -0.686 1.00 14.42 H new ATOM 0 HZ2 LYS A 33 11.427 -19.186 0.907 1.00 14.42 H new ATOM 0 HZ3 LYS A 33 10.078 -18.676 0.011 1.00 14.42 H new ATOM 526 N GLU A 34 16.083 -18.350 2.327 1.00 15.33 N ATOM 527 CA GLU A 34 16.705 -19.555 1.792 1.00 3.24 C ATOM 528 C GLU A 34 18.154 -19.670 2.256 1.00 25.22 C ATOM 529 O GLU A 34 18.890 -20.553 1.817 1.00 71.02 O ATOM 530 CB GLU A 34 16.646 -19.550 0.263 1.00 24.54 C ATOM 531 CG GLU A 34 15.350 -20.111 -0.297 1.00 64.34 C ATOM 532 CD GLU A 34 14.123 -19.533 0.380 1.00 41.23 C ATOM 533 OE1 GLU A 34 13.987 -18.291 0.400 1.00 25.43 O ATOM 534 OE2 GLU A 34 13.299 -20.321 0.889 1.00 51.52 O ATOM 0 H GLU A 34 16.310 -17.496 1.818 1.00 15.33 H new ATOM 0 HA GLU A 34 16.152 -20.416 2.167 1.00 3.24 H new ATOM 0 HB2 GLU A 34 16.774 -18.528 -0.094 1.00 24.54 H new ATOM 0 HB3 GLU A 34 17.482 -20.131 -0.127 1.00 24.54 H new ATOM 0 HG2 GLU A 34 15.301 -19.905 -1.366 1.00 64.34 H new ATOM 0 HG3 GLU A 34 15.348 -21.195 -0.181 1.00 64.34 H new ATOM 541 N GLY A 35 18.558 -18.770 3.148 1.00 51.12 N ATOM 542 CA GLY A 35 19.917 -18.787 3.656 1.00 1.13 C ATOM 543 C GLY A 35 20.951 -18.811 2.548 1.00 54.33 C ATOM 544 O GLY A 35 21.900 -19.594 2.590 1.00 13.43 O ATOM 0 H GLY A 35 17.968 -18.030 3.528 1.00 51.12 H new ATOM 0 HA2 GLY A 35 20.079 -17.908 4.281 1.00 1.13 H new ATOM 0 HA3 GLY A 35 20.052 -19.661 4.294 1.00 1.13 H new ATOM 548 N VAL A 36 20.766 -17.951 1.550 1.00 23.43 N ATOM 549 CA VAL A 36 21.690 -17.877 0.425 1.00 60.03 C ATOM 550 C VAL A 36 22.060 -16.432 0.112 1.00 54.54 C ATOM 551 O VAL A 36 21.327 -15.494 0.430 1.00 24.44 O ATOM 552 CB VAL A 36 21.091 -18.527 -0.837 1.00 21.13 C ATOM 553 CG1 VAL A 36 21.179 -20.043 -0.749 1.00 62.15 C ATOM 554 CG2 VAL A 36 19.651 -18.079 -1.034 1.00 12.12 C ATOM 0 H VAL A 36 19.985 -17.297 1.499 1.00 23.43 H new ATOM 0 HA VAL A 36 22.587 -18.424 0.716 1.00 60.03 H new ATOM 0 HB VAL A 36 21.670 -18.203 -1.702 1.00 21.13 H new ATOM 0 HG11 VAL A 36 20.751 -20.485 -1.649 1.00 62.15 H new ATOM 0 HG12 VAL A 36 22.223 -20.342 -0.659 1.00 62.15 H new ATOM 0 HG13 VAL A 36 20.626 -20.390 0.124 1.00 62.15 H new ATOM 0 HG21 VAL A 36 19.243 -18.548 -1.930 1.00 12.12 H new ATOM 0 HG22 VAL A 36 19.057 -18.373 -0.169 1.00 12.12 H new ATOM 0 HG23 VAL A 36 19.619 -16.995 -1.145 1.00 12.12 H new ATOM 564 N PRO A 37 23.223 -16.244 -0.529 1.00 1.33 N ATOM 565 CA PRO A 37 23.716 -14.914 -0.900 1.00 65.34 C ATOM 566 C PRO A 37 22.889 -14.279 -2.013 1.00 23.12 C ATOM 567 O PRO A 37 22.490 -14.951 -2.964 1.00 43.33 O ATOM 568 CB PRO A 37 25.143 -15.188 -1.384 1.00 52.31 C ATOM 569 CG PRO A 37 25.124 -16.607 -1.837 1.00 13.12 C ATOM 570 CD PRO A 37 24.146 -17.315 -0.940 1.00 4.35 C ATOM 0 HA PRO A 37 23.660 -14.212 -0.068 1.00 65.34 H new ATOM 0 HB2 PRO A 37 25.421 -14.517 -2.197 1.00 52.31 H new ATOM 0 HB3 PRO A 37 25.868 -15.038 -0.584 1.00 52.31 H new ATOM 0 HG2 PRO A 37 24.819 -16.679 -2.881 1.00 13.12 H new ATOM 0 HG3 PRO A 37 26.116 -17.054 -1.763 1.00 13.12 H new ATOM 0 HD2 PRO A 37 23.625 -18.115 -1.466 1.00 4.35 H new ATOM 0 HD3 PRO A 37 24.643 -17.768 -0.082 1.00 4.35 H new ATOM 578 N VAL A 38 22.635 -12.980 -1.887 1.00 61.43 N ATOM 579 CA VAL A 38 21.857 -12.254 -2.883 1.00 75.03 C ATOM 580 C VAL A 38 22.510 -12.336 -4.258 1.00 50.22 C ATOM 581 O VAL A 38 21.844 -12.189 -5.283 1.00 71.12 O ATOM 582 CB VAL A 38 21.689 -10.773 -2.494 1.00 32.31 C ATOM 583 CG1 VAL A 38 20.828 -10.643 -1.246 1.00 64.24 C ATOM 584 CG2 VAL A 38 23.047 -10.121 -2.285 1.00 40.43 C ATOM 0 H VAL A 38 22.957 -12.410 -1.105 1.00 61.43 H new ATOM 0 HA VAL A 38 20.875 -12.725 -2.922 1.00 75.03 H new ATOM 0 HB VAL A 38 21.184 -10.255 -3.310 1.00 32.31 H new ATOM 0 HG11 VAL A 38 20.720 -9.590 -0.986 1.00 64.24 H new ATOM 0 HG12 VAL A 38 19.844 -11.072 -1.436 1.00 64.24 H new ATOM 0 HG13 VAL A 38 21.302 -11.174 -0.420 1.00 64.24 H new ATOM 0 HG21 VAL A 38 22.910 -9.075 -2.011 1.00 40.43 H new ATOM 0 HG22 VAL A 38 23.580 -10.638 -1.487 1.00 40.43 H new ATOM 0 HG23 VAL A 38 23.625 -10.182 -3.207 1.00 40.43 H new ATOM 594 N ASP A 39 23.817 -12.571 -4.273 1.00 22.34 N ATOM 595 CA ASP A 39 24.562 -12.674 -5.522 1.00 72.43 C ATOM 596 C ASP A 39 24.030 -13.819 -6.379 1.00 73.00 C ATOM 597 O ASP A 39 24.185 -13.816 -7.600 1.00 31.42 O ATOM 598 CB ASP A 39 26.050 -12.883 -5.238 1.00 42.22 C ATOM 599 CG ASP A 39 26.760 -11.589 -4.892 1.00 43.34 C ATOM 600 OD1 ASP A 39 27.213 -10.893 -5.825 1.00 45.42 O ATOM 601 OD2 ASP A 39 26.862 -11.272 -3.689 1.00 40.41 O ATOM 0 H ASP A 39 24.383 -12.694 -3.433 1.00 22.34 H new ATOM 0 HA ASP A 39 24.432 -11.741 -6.071 1.00 72.43 H new ATOM 0 HB2 ASP A 39 26.164 -13.588 -4.415 1.00 42.22 H new ATOM 0 HB3 ASP A 39 26.524 -13.332 -6.111 1.00 42.22 H new ATOM 606 N GLN A 40 23.403 -14.795 -5.730 1.00 63.42 N ATOM 607 CA GLN A 40 22.850 -15.947 -6.433 1.00 43.12 C ATOM 608 C GLN A 40 21.369 -15.741 -6.734 1.00 63.21 C ATOM 609 O GLN A 40 20.794 -16.438 -7.570 1.00 3.12 O ATOM 610 CB GLN A 40 23.043 -17.218 -5.604 1.00 53.11 C ATOM 611 CG GLN A 40 24.500 -17.539 -5.312 1.00 35.00 C ATOM 612 CD GLN A 40 25.276 -17.913 -6.559 1.00 60.21 C ATOM 613 OE1 GLN A 40 25.715 -17.046 -7.315 1.00 14.31 O ATOM 614 NE2 GLN A 40 25.451 -19.211 -6.781 1.00 13.30 N ATOM 0 H GLN A 40 23.265 -14.811 -4.719 1.00 63.42 H new ATOM 0 HA GLN A 40 23.382 -16.055 -7.378 1.00 43.12 H new ATOM 0 HB2 GLN A 40 22.507 -17.111 -4.661 1.00 53.11 H new ATOM 0 HB3 GLN A 40 22.593 -18.058 -6.133 1.00 53.11 H new ATOM 0 HG2 GLN A 40 24.971 -16.676 -4.841 1.00 35.00 H new ATOM 0 HG3 GLN A 40 24.551 -18.360 -4.597 1.00 35.00 H new ATOM 0 HE21 GLN A 40 25.070 -19.896 -6.128 1.00 13.30 H new ATOM 0 HE22 GLN A 40 25.966 -19.523 -7.604 1.00 13.30 H new ATOM 623 N GLN A 41 20.759 -14.781 -6.047 1.00 52.03 N ATOM 624 CA GLN A 41 19.344 -14.485 -6.241 1.00 62.21 C ATOM 625 C GLN A 41 19.162 -13.216 -7.067 1.00 73.34 C ATOM 626 O GLN A 41 19.651 -12.148 -6.699 1.00 30.40 O ATOM 627 CB GLN A 41 18.644 -14.333 -4.890 1.00 35.31 C ATOM 628 CG GLN A 41 18.956 -15.455 -3.913 1.00 21.30 C ATOM 629 CD GLN A 41 18.122 -15.378 -2.649 1.00 44.22 C ATOM 630 OE1 GLN A 41 17.588 -16.384 -2.181 1.00 42.15 O ATOM 631 NE2 GLN A 41 18.007 -14.180 -2.089 1.00 15.34 N ATOM 0 H GLN A 41 21.221 -14.195 -5.352 1.00 52.03 H new ATOM 0 HA GLN A 41 18.895 -15.317 -6.783 1.00 62.21 H new ATOM 0 HB2 GLN A 41 18.936 -13.382 -4.444 1.00 35.31 H new ATOM 0 HB3 GLN A 41 17.567 -14.292 -5.051 1.00 35.31 H new ATOM 0 HG2 GLN A 41 18.782 -16.414 -4.400 1.00 21.30 H new ATOM 0 HG3 GLN A 41 20.013 -15.418 -3.649 1.00 21.30 H new ATOM 0 HE21 GLN A 41 18.467 -13.373 -2.511 1.00 15.34 H new ATOM 0 HE22 GLN A 41 17.459 -14.066 -1.236 1.00 15.34 H new ATOM 640 N ARG A 42 18.455 -13.341 -8.186 1.00 30.11 N ATOM 641 CA ARG A 42 18.209 -12.204 -9.065 1.00 63.43 C ATOM 642 C ARG A 42 16.743 -12.147 -9.483 1.00 13.14 C ATOM 643 O ARG A 42 16.178 -13.140 -9.943 1.00 13.10 O ATOM 644 CB ARG A 42 19.101 -12.290 -10.306 1.00 33.04 C ATOM 645 CG ARG A 42 19.512 -10.934 -10.855 1.00 3.24 C ATOM 646 CD ARG A 42 20.591 -10.290 -9.997 1.00 52.25 C ATOM 647 NE ARG A 42 21.504 -9.471 -10.790 1.00 54.33 N ATOM 648 CZ ARG A 42 21.149 -8.332 -11.376 1.00 61.30 C ATOM 649 NH1 ARG A 42 19.908 -7.881 -11.258 1.00 2.40 N ATOM 650 NH2 ARG A 42 22.037 -7.643 -12.081 1.00 71.12 N ATOM 0 H ARG A 42 18.043 -14.218 -8.505 1.00 30.11 H new ATOM 0 HA ARG A 42 18.448 -11.293 -8.516 1.00 63.43 H new ATOM 0 HB2 ARG A 42 19.997 -12.860 -10.060 1.00 33.04 H new ATOM 0 HB3 ARG A 42 18.575 -12.843 -11.084 1.00 33.04 H new ATOM 0 HG2 ARG A 42 19.877 -11.049 -11.876 1.00 3.24 H new ATOM 0 HG3 ARG A 42 18.642 -10.279 -10.900 1.00 3.24 H new ATOM 0 HD2 ARG A 42 20.124 -9.673 -9.230 1.00 52.25 H new ATOM 0 HD3 ARG A 42 21.156 -11.067 -9.481 1.00 52.25 H new ATOM 0 HE ARG A 42 22.466 -9.790 -10.900 1.00 54.33 H new ATOM 0 HH11 ARG A 42 19.223 -8.408 -10.717 1.00 2.40 H new ATOM 0 HH12 ARG A 42 19.638 -7.007 -11.709 1.00 2.40 H new ATOM 0 HH21 ARG A 42 22.993 -7.987 -12.174 1.00 71.12 H new ATOM 0 HH22 ARG A 42 21.764 -6.769 -12.530 1.00 71.12 H new ATOM 664 N LEU A 43 16.132 -10.979 -9.318 1.00 52.24 N ATOM 665 CA LEU A 43 14.730 -10.791 -9.678 1.00 24.25 C ATOM 666 C LEU A 43 14.600 -10.258 -11.101 1.00 34.14 C ATOM 667 O LEU A 43 15.428 -9.469 -11.557 1.00 31.41 O ATOM 668 CB LEU A 43 14.056 -9.830 -8.697 1.00 24.13 C ATOM 669 CG LEU A 43 14.307 -8.341 -8.937 1.00 5.04 C ATOM 670 CD1 LEU A 43 13.251 -7.764 -9.866 1.00 71.41 C ATOM 671 CD2 LEU A 43 14.329 -7.584 -7.616 1.00 62.45 C ATOM 0 H LEU A 43 16.585 -10.148 -8.937 1.00 52.24 H new ATOM 0 HA LEU A 43 14.234 -11.760 -9.626 1.00 24.25 H new ATOM 0 HB2 LEU A 43 12.981 -10.006 -8.728 1.00 24.13 H new ATOM 0 HB3 LEU A 43 14.391 -10.077 -7.690 1.00 24.13 H new ATOM 0 HG LEU A 43 15.281 -8.229 -9.414 1.00 5.04 H new ATOM 0 HD11 LEU A 43 13.446 -6.703 -10.025 1.00 71.41 H new ATOM 0 HD12 LEU A 43 13.283 -8.286 -10.822 1.00 71.41 H new ATOM 0 HD13 LEU A 43 12.265 -7.888 -9.418 1.00 71.41 H new ATOM 0 HD21 LEU A 43 14.509 -6.526 -7.806 1.00 62.45 H new ATOM 0 HD22 LEU A 43 13.370 -7.704 -7.112 1.00 62.45 H new ATOM 0 HD23 LEU A 43 15.124 -7.979 -6.983 1.00 62.45 H new ATOM 683 N ILE A 44 13.554 -10.692 -11.796 1.00 33.13 N ATOM 684 CA ILE A 44 13.313 -10.256 -13.165 1.00 40.35 C ATOM 685 C ILE A 44 11.847 -9.895 -13.378 1.00 12.11 C ATOM 686 O ILE A 44 10.951 -10.553 -12.849 1.00 22.45 O ATOM 687 CB ILE A 44 13.715 -11.341 -14.181 1.00 62.41 C ATOM 688 CG1 ILE A 44 15.160 -11.784 -13.942 1.00 21.32 C ATOM 689 CG2 ILE A 44 13.542 -10.827 -15.602 1.00 74.44 C ATOM 690 CD1 ILE A 44 15.563 -12.997 -14.752 1.00 54.41 C ATOM 0 H ILE A 44 12.860 -11.345 -11.433 1.00 33.13 H new ATOM 0 HA ILE A 44 13.930 -9.372 -13.327 1.00 40.35 H new ATOM 0 HB ILE A 44 13.063 -12.204 -14.046 1.00 62.41 H new ATOM 0 HG12 ILE A 44 15.829 -10.958 -14.183 1.00 21.32 H new ATOM 0 HG13 ILE A 44 15.293 -12.004 -12.883 1.00 21.32 H new ATOM 0 HG21 ILE A 44 13.830 -11.606 -16.308 1.00 74.44 H new ATOM 0 HG22 ILE A 44 12.499 -10.556 -15.766 1.00 74.44 H new ATOM 0 HG23 ILE A 44 14.172 -9.950 -15.751 1.00 74.44 H new ATOM 0 HD11 ILE A 44 16.599 -13.254 -14.532 1.00 54.41 H new ATOM 0 HD12 ILE A 44 14.918 -13.837 -14.494 1.00 54.41 H new ATOM 0 HD13 ILE A 44 15.462 -12.775 -15.814 1.00 54.41 H new ATOM 702 N PHE A 45 11.608 -8.846 -14.158 1.00 3.54 N ATOM 703 CA PHE A 45 10.250 -8.397 -14.441 1.00 41.15 C ATOM 704 C PHE A 45 9.981 -8.394 -15.943 1.00 42.25 C ATOM 705 O PHE A 45 10.478 -7.535 -16.672 1.00 32.21 O ATOM 706 CB PHE A 45 10.023 -6.997 -13.868 1.00 55.33 C ATOM 707 CG PHE A 45 8.575 -6.602 -13.808 1.00 14.31 C ATOM 708 CD1 PHE A 45 7.857 -6.371 -14.970 1.00 52.12 C ATOM 709 CD2 PHE A 45 7.932 -6.461 -12.589 1.00 13.34 C ATOM 710 CE1 PHE A 45 6.524 -6.008 -14.918 1.00 41.42 C ATOM 711 CE2 PHE A 45 6.599 -6.098 -12.530 1.00 63.24 C ATOM 712 CZ PHE A 45 5.895 -5.870 -13.697 1.00 30.15 C ATOM 0 H PHE A 45 12.337 -8.291 -14.605 1.00 3.54 H new ATOM 0 HA PHE A 45 9.558 -9.092 -13.967 1.00 41.15 H new ATOM 0 HB2 PHE A 45 10.446 -6.951 -12.864 1.00 55.33 H new ATOM 0 HB3 PHE A 45 10.564 -6.272 -14.476 1.00 55.33 H new ATOM 0 HD1 PHE A 45 8.344 -6.476 -15.928 1.00 52.12 H new ATOM 0 HD2 PHE A 45 8.478 -6.637 -11.674 1.00 13.34 H new ATOM 0 HE1 PHE A 45 5.975 -5.833 -15.832 1.00 41.42 H new ATOM 0 HE2 PHE A 45 6.109 -5.993 -11.573 1.00 63.24 H new ATOM 0 HZ PHE A 45 4.854 -5.584 -13.654 1.00 30.15 H new ATOM 722 N ALA A 46 9.192 -9.361 -16.399 1.00 70.12 N ATOM 723 CA ALA A 46 8.855 -9.470 -17.813 1.00 44.33 C ATOM 724 C ALA A 46 10.111 -9.599 -18.668 1.00 44.02 C ATOM 725 O ALA A 46 10.130 -9.187 -19.827 1.00 44.42 O ATOM 726 CB ALA A 46 8.036 -8.266 -18.255 1.00 34.33 C ATOM 0 H ALA A 46 8.774 -10.081 -15.809 1.00 70.12 H new ATOM 0 HA ALA A 46 8.259 -10.372 -17.950 1.00 44.33 H new ATOM 0 HB1 ALA A 46 7.792 -8.361 -19.313 1.00 34.33 H new ATOM 0 HB2 ALA A 46 7.116 -8.218 -17.673 1.00 34.33 H new ATOM 0 HB3 ALA A 46 8.613 -7.355 -18.096 1.00 34.33 H new ATOM 732 N GLY A 47 11.160 -10.174 -18.088 1.00 25.02 N ATOM 733 CA GLY A 47 12.407 -10.346 -18.811 1.00 74.23 C ATOM 734 C GLY A 47 13.348 -9.172 -18.633 1.00 11.44 C ATOM 735 O GLY A 47 14.287 -8.994 -19.409 1.00 74.33 O ATOM 0 H GLY A 47 11.169 -10.524 -17.130 1.00 25.02 H new ATOM 0 HA2 GLY A 47 12.899 -11.257 -18.469 1.00 74.23 H new ATOM 0 HA3 GLY A 47 12.193 -10.478 -19.872 1.00 74.23 H new ATOM 739 N LYS A 48 13.097 -8.365 -17.607 1.00 53.11 N ATOM 740 CA LYS A 48 13.928 -7.200 -17.328 1.00 30.12 C ATOM 741 C LYS A 48 14.623 -7.339 -15.977 1.00 42.02 C ATOM 742 O LYS A 48 13.969 -7.468 -14.943 1.00 75.32 O ATOM 743 CB LYS A 48 13.080 -5.926 -17.348 1.00 62.13 C ATOM 744 CG LYS A 48 12.611 -5.530 -18.738 1.00 3.14 C ATOM 745 CD LYS A 48 11.320 -6.238 -19.113 1.00 44.15 C ATOM 746 CE LYS A 48 10.831 -5.811 -20.489 1.00 15.34 C ATOM 747 NZ LYS A 48 9.650 -6.605 -20.928 1.00 63.24 N ATOM 0 H LYS A 48 12.324 -8.497 -16.955 1.00 53.11 H new ATOM 0 HA LYS A 48 14.690 -7.134 -18.105 1.00 30.12 H new ATOM 0 HB2 LYS A 48 12.210 -6.068 -16.707 1.00 62.13 H new ATOM 0 HB3 LYS A 48 13.659 -5.107 -16.922 1.00 62.13 H new ATOM 0 HG2 LYS A 48 12.461 -4.451 -18.779 1.00 3.14 H new ATOM 0 HG3 LYS A 48 13.385 -5.772 -19.467 1.00 3.14 H new ATOM 0 HD2 LYS A 48 11.478 -7.316 -19.100 1.00 44.15 H new ATOM 0 HD3 LYS A 48 10.554 -6.019 -18.369 1.00 44.15 H new ATOM 0 HE2 LYS A 48 10.571 -4.753 -20.470 1.00 15.34 H new ATOM 0 HE3 LYS A 48 11.637 -5.928 -21.213 1.00 15.34 H new ATOM 0 HZ1 LYS A 48 9.601 -6.610 -21.967 1.00 63.24 H new ATOM 0 HZ2 LYS A 48 9.740 -7.581 -20.581 1.00 63.24 H new ATOM 0 HZ3 LYS A 48 8.783 -6.179 -20.543 1.00 63.24 H new ATOM 761 N GLN A 49 15.952 -7.310 -15.995 1.00 12.22 N ATOM 762 CA GLN A 49 16.734 -7.432 -14.771 1.00 4.34 C ATOM 763 C GLN A 49 16.859 -6.084 -14.068 1.00 3.02 C ATOM 764 O GLN A 49 17.340 -5.111 -14.650 1.00 1.43 O ATOM 765 CB GLN A 49 18.125 -7.988 -15.082 1.00 73.53 C ATOM 766 CG GLN A 49 18.143 -9.493 -15.297 1.00 62.24 C ATOM 767 CD GLN A 49 17.650 -9.892 -16.674 1.00 65.05 C ATOM 768 OE1 GLN A 49 17.500 -9.050 -17.561 1.00 24.43 O ATOM 769 NE2 GLN A 49 17.396 -11.182 -16.862 1.00 13.32 N ATOM 0 H GLN A 49 16.509 -7.203 -16.843 1.00 12.22 H new ATOM 0 HA GLN A 49 16.215 -8.122 -14.106 1.00 4.34 H new ATOM 0 HB2 GLN A 49 18.513 -7.497 -15.975 1.00 73.53 H new ATOM 0 HB3 GLN A 49 18.799 -7.738 -14.263 1.00 73.53 H new ATOM 0 HG2 GLN A 49 19.158 -9.864 -15.157 1.00 62.24 H new ATOM 0 HG3 GLN A 49 17.522 -9.972 -14.540 1.00 62.24 H new ATOM 0 HE21 GLN A 49 17.534 -11.845 -16.100 1.00 13.32 H new ATOM 0 HE22 GLN A 49 17.063 -11.509 -17.769 1.00 13.32 H new ATOM 778 N LEU A 50 16.423 -6.034 -12.814 1.00 4.30 N ATOM 779 CA LEU A 50 16.486 -4.804 -12.031 1.00 20.51 C ATOM 780 C LEU A 50 17.688 -4.818 -11.092 1.00 11.42 C ATOM 781 O LEU A 50 18.002 -5.841 -10.486 1.00 21.24 O ATOM 782 CB LEU A 50 15.198 -4.623 -11.226 1.00 52.13 C ATOM 783 CG LEU A 50 13.931 -4.353 -12.039 1.00 61.33 C ATOM 784 CD1 LEU A 50 13.412 -5.640 -12.662 1.00 22.35 C ATOM 785 CD2 LEU A 50 12.863 -3.713 -11.165 1.00 53.33 C ATOM 0 H LEU A 50 16.022 -6.830 -12.318 1.00 4.30 H new ATOM 0 HA LEU A 50 16.597 -3.968 -12.721 1.00 20.51 H new ATOM 0 HB2 LEU A 50 15.038 -5.520 -10.628 1.00 52.13 H new ATOM 0 HB3 LEU A 50 15.342 -3.797 -10.529 1.00 52.13 H new ATOM 0 HG LEU A 50 14.179 -3.659 -12.842 1.00 61.33 H new ATOM 0 HD11 LEU A 50 12.510 -5.428 -13.237 1.00 22.35 H new ATOM 0 HD12 LEU A 50 14.173 -6.058 -13.322 1.00 22.35 H new ATOM 0 HD13 LEU A 50 13.181 -6.358 -11.875 1.00 22.35 H new ATOM 0 HD21 LEU A 50 11.969 -3.528 -11.760 1.00 53.33 H new ATOM 0 HD22 LEU A 50 12.618 -4.383 -10.341 1.00 53.33 H new ATOM 0 HD23 LEU A 50 13.236 -2.769 -10.767 1.00 53.33 H new ATOM 797 N GLU A 51 18.354 -3.673 -10.976 1.00 24.23 N ATOM 798 CA GLU A 51 19.521 -3.554 -10.109 1.00 11.11 C ATOM 799 C GLU A 51 19.173 -2.798 -8.830 1.00 21.03 C ATOM 800 O GLU A 51 18.061 -2.293 -8.677 1.00 52.25 O ATOM 801 CB GLU A 51 20.658 -2.841 -10.843 1.00 4.43 C ATOM 802 CG GLU A 51 21.491 -3.763 -11.717 1.00 41.44 C ATOM 803 CD GLU A 51 22.512 -4.555 -10.924 1.00 1.31 C ATOM 804 OE1 GLU A 51 22.234 -4.869 -9.748 1.00 30.23 O ATOM 805 OE2 GLU A 51 23.588 -4.860 -11.478 1.00 45.34 O ATOM 0 H GLU A 51 18.106 -2.816 -11.471 1.00 24.23 H new ATOM 0 HA GLU A 51 19.846 -4.559 -9.839 1.00 11.11 H new ATOM 0 HB2 GLU A 51 20.238 -2.048 -11.462 1.00 4.43 H new ATOM 0 HB3 GLU A 51 21.308 -2.363 -10.111 1.00 4.43 H new ATOM 0 HG2 GLU A 51 20.831 -4.453 -12.243 1.00 41.44 H new ATOM 0 HG3 GLU A 51 22.005 -3.172 -12.475 1.00 41.44 H new ATOM 812 N ASP A 52 20.132 -2.726 -7.913 1.00 41.33 N ATOM 813 CA ASP A 52 19.929 -2.032 -6.647 1.00 13.50 C ATOM 814 C ASP A 52 19.514 -0.582 -6.882 1.00 65.31 C ATOM 815 O ASP A 52 18.868 0.034 -6.035 1.00 54.04 O ATOM 816 CB ASP A 52 21.204 -2.080 -5.804 1.00 32.13 C ATOM 817 CG ASP A 52 22.364 -1.363 -6.466 1.00 72.34 C ATOM 818 OD1 ASP A 52 22.963 -0.479 -5.819 1.00 22.21 O ATOM 819 OD2 ASP A 52 22.673 -1.687 -7.632 1.00 53.10 O ATOM 0 H ASP A 52 21.058 -3.140 -8.023 1.00 41.33 H new ATOM 0 HA ASP A 52 19.128 -2.538 -6.109 1.00 13.50 H new ATOM 0 HB2 ASP A 52 21.010 -1.629 -4.831 1.00 32.13 H new ATOM 0 HB3 ASP A 52 21.478 -3.120 -5.624 1.00 32.13 H new ATOM 824 N SER A 53 19.893 -0.044 -8.037 1.00 53.01 N ATOM 825 CA SER A 53 19.565 1.334 -8.382 1.00 11.53 C ATOM 826 C SER A 53 18.135 1.439 -8.903 1.00 33.22 C ATOM 827 O SER A 53 17.527 2.509 -8.873 1.00 34.14 O ATOM 828 CB SER A 53 20.542 1.866 -9.432 1.00 3.33 C ATOM 829 OG SER A 53 20.465 1.112 -10.629 1.00 31.02 O ATOM 0 H SER A 53 20.427 -0.541 -8.749 1.00 53.01 H new ATOM 0 HA SER A 53 19.649 1.938 -7.478 1.00 11.53 H new ATOM 0 HB2 SER A 53 20.320 2.912 -9.643 1.00 3.33 H new ATOM 0 HB3 SER A 53 21.558 1.828 -9.040 1.00 3.33 H new ATOM 0 HG SER A 53 21.098 1.473 -11.284 1.00 31.02 H new ATOM 835 N LYS A 54 17.603 0.319 -9.381 1.00 31.11 N ATOM 836 CA LYS A 54 16.244 0.281 -9.908 1.00 61.02 C ATOM 837 C LYS A 54 15.231 0.069 -8.788 1.00 23.25 C ATOM 838 O LYS A 54 15.557 -0.491 -7.740 1.00 14.53 O ATOM 839 CB LYS A 54 16.110 -0.833 -10.949 1.00 12.10 C ATOM 840 CG LYS A 54 17.023 -0.657 -12.150 1.00 4.14 C ATOM 841 CD LYS A 54 16.708 0.621 -12.908 1.00 14.41 C ATOM 842 CE LYS A 54 17.357 0.628 -14.284 1.00 15.25 C ATOM 843 NZ LYS A 54 17.003 1.851 -15.057 1.00 65.53 N ATOM 0 H LYS A 54 18.093 -0.575 -9.414 1.00 31.11 H new ATOM 0 HA LYS A 54 16.038 1.241 -10.382 1.00 61.02 H new ATOM 0 HB2 LYS A 54 16.328 -1.790 -10.475 1.00 12.10 H new ATOM 0 HB3 LYS A 54 15.076 -0.875 -11.292 1.00 12.10 H new ATOM 0 HG2 LYS A 54 18.061 -0.638 -11.819 1.00 4.14 H new ATOM 0 HG3 LYS A 54 16.917 -1.512 -12.817 1.00 4.14 H new ATOM 0 HD2 LYS A 54 15.628 0.726 -13.013 1.00 14.41 H new ATOM 0 HD3 LYS A 54 17.057 1.480 -12.335 1.00 14.41 H new ATOM 0 HE2 LYS A 54 18.440 0.568 -14.175 1.00 15.25 H new ATOM 0 HE3 LYS A 54 17.043 -0.256 -14.839 1.00 15.25 H new ATOM 0 HZ1 LYS A 54 17.464 1.819 -15.989 1.00 65.53 H new ATOM 0 HZ2 LYS A 54 15.972 1.896 -15.183 1.00 65.53 H new ATOM 0 HZ3 LYS A 54 17.326 2.694 -14.540 1.00 65.53 H new ATOM 857 N THR A 55 14.001 0.518 -9.015 1.00 73.21 N ATOM 858 CA THR A 55 12.940 0.377 -8.025 1.00 65.21 C ATOM 859 C THR A 55 11.603 0.076 -8.691 1.00 53.43 C ATOM 860 O THR A 55 11.403 0.379 -9.867 1.00 72.54 O ATOM 861 CB THR A 55 12.800 1.649 -7.167 1.00 70.54 C ATOM 862 OG1 THR A 55 12.010 2.622 -7.860 1.00 22.30 O ATOM 863 CG2 THR A 55 14.165 2.235 -6.841 1.00 62.14 C ATOM 0 H THR A 55 13.714 0.983 -9.876 1.00 73.21 H new ATOM 0 HA THR A 55 13.217 -0.458 -7.381 1.00 65.21 H new ATOM 0 HB THR A 55 12.307 1.379 -6.233 1.00 70.54 H new ATOM 0 HG1 THR A 55 11.924 3.427 -7.308 1.00 22.30 H new ATOM 0 HG21 THR A 55 14.040 3.132 -6.235 1.00 62.14 H new ATOM 0 HG22 THR A 55 14.753 1.502 -6.288 1.00 62.14 H new ATOM 0 HG23 THR A 55 14.681 2.491 -7.766 1.00 62.14 H new ATOM 871 N MET A 56 10.689 -0.519 -7.932 1.00 22.33 N ATOM 872 CA MET A 56 9.369 -0.858 -8.449 1.00 73.54 C ATOM 873 C MET A 56 8.659 0.382 -8.984 1.00 23.42 C ATOM 874 O MET A 56 7.979 0.326 -10.008 1.00 22.02 O ATOM 875 CB MET A 56 8.522 -1.514 -7.357 1.00 11.34 C ATOM 876 CG MET A 56 9.191 -2.714 -6.707 1.00 73.44 C ATOM 877 SD MET A 56 9.405 -4.092 -7.851 1.00 22.25 S ATOM 878 CE MET A 56 10.908 -4.829 -7.214 1.00 64.40 C ATOM 0 H MET A 56 10.839 -0.776 -6.956 1.00 22.33 H new ATOM 0 HA MET A 56 9.499 -1.563 -9.270 1.00 73.54 H new ATOM 0 HB2 MET A 56 8.297 -0.774 -6.589 1.00 11.34 H new ATOM 0 HB3 MET A 56 7.570 -1.827 -7.786 1.00 11.34 H new ATOM 0 HG2 MET A 56 10.164 -2.416 -6.317 1.00 73.44 H new ATOM 0 HG3 MET A 56 8.594 -3.042 -5.856 1.00 73.44 H new ATOM 0 HE1 MET A 56 10.838 -5.915 -7.281 1.00 64.40 H new ATOM 0 HE2 MET A 56 11.759 -4.483 -7.800 1.00 64.40 H new ATOM 0 HE3 MET A 56 11.043 -4.538 -6.172 1.00 64.40 H new ATOM 888 N ALA A 57 8.822 1.499 -8.283 1.00 44.23 N ATOM 889 CA ALA A 57 8.199 2.753 -8.689 1.00 31.22 C ATOM 890 C ALA A 57 8.908 3.353 -9.898 1.00 70.43 C ATOM 891 O ALA A 57 8.280 3.988 -10.746 1.00 24.31 O ATOM 892 CB ALA A 57 8.198 3.740 -7.531 1.00 42.55 C ATOM 0 H ALA A 57 9.380 1.561 -7.431 1.00 44.23 H new ATOM 0 HA ALA A 57 7.168 2.543 -8.974 1.00 31.22 H new ATOM 0 HB1 ALA A 57 7.730 4.672 -7.848 1.00 42.55 H new ATOM 0 HB2 ALA A 57 7.639 3.319 -6.695 1.00 42.55 H new ATOM 0 HB3 ALA A 57 9.224 3.937 -7.220 1.00 42.55 H new ATOM 898 N ASP A 58 10.218 3.148 -9.971 1.00 65.24 N ATOM 899 CA ASP A 58 11.013 3.668 -11.078 1.00 1.31 C ATOM 900 C ASP A 58 10.584 3.037 -12.399 1.00 3.31 C ATOM 901 O ASP A 58 10.532 3.708 -13.430 1.00 73.54 O ATOM 902 CB ASP A 58 12.500 3.408 -10.833 1.00 21.42 C ATOM 903 CG ASP A 58 13.087 4.338 -9.789 1.00 73.21 C ATOM 904 OD1 ASP A 58 14.313 4.274 -9.559 1.00 14.02 O ATOM 905 OD2 ASP A 58 12.320 5.130 -9.203 1.00 51.23 O ATOM 0 H ASP A 58 10.752 2.625 -9.277 1.00 65.24 H new ATOM 0 HA ASP A 58 10.846 4.743 -11.139 1.00 1.31 H new ATOM 0 HB2 ASP A 58 12.637 2.375 -10.513 1.00 21.42 H new ATOM 0 HB3 ASP A 58 13.046 3.527 -11.769 1.00 21.42 H new ATOM 910 N TYR A 59 10.280 1.745 -12.360 1.00 21.11 N ATOM 911 CA TYR A 59 9.859 1.022 -13.554 1.00 44.45 C ATOM 912 C TYR A 59 8.360 1.182 -13.788 1.00 22.10 C ATOM 913 O TYR A 59 7.798 0.591 -14.709 1.00 31.23 O ATOM 914 CB TYR A 59 10.212 -0.461 -13.430 1.00 5.32 C ATOM 915 CG TYR A 59 11.537 -0.823 -14.063 1.00 74.34 C ATOM 916 CD1 TYR A 59 12.682 -0.967 -13.291 1.00 24.25 C ATOM 917 CD2 TYR A 59 11.642 -1.021 -15.434 1.00 43.15 C ATOM 918 CE1 TYR A 59 13.895 -1.298 -13.865 1.00 14.40 C ATOM 919 CE2 TYR A 59 12.850 -1.353 -16.017 1.00 71.13 C ATOM 920 CZ TYR A 59 13.973 -1.490 -15.229 1.00 21.05 C ATOM 921 OH TYR A 59 15.178 -1.819 -15.805 1.00 62.45 O ATOM 0 H TYR A 59 10.317 1.176 -11.514 1.00 21.11 H new ATOM 0 HA TYR A 59 10.389 1.444 -14.408 1.00 44.45 H new ATOM 0 HB2 TYR A 59 10.237 -0.733 -12.375 1.00 5.32 H new ATOM 0 HB3 TYR A 59 9.423 -1.054 -13.894 1.00 5.32 H new ATOM 0 HD1 TYR A 59 12.624 -0.818 -12.223 1.00 24.25 H new ATOM 0 HD2 TYR A 59 10.765 -0.914 -16.055 1.00 43.15 H new ATOM 0 HE1 TYR A 59 14.776 -1.406 -13.250 1.00 14.40 H new ATOM 0 HE2 TYR A 59 12.914 -1.504 -17.084 1.00 71.13 H new ATOM 0 HH TYR A 59 15.061 -1.920 -16.773 1.00 62.45 H new ATOM 931 N ASN A 60 7.719 1.986 -12.946 1.00 42.43 N ATOM 932 CA ASN A 60 6.285 2.225 -13.060 1.00 10.12 C ATOM 933 C ASN A 60 5.499 0.937 -12.832 1.00 45.15 C ATOM 934 O ASN A 60 4.390 0.777 -13.341 1.00 55.21 O ATOM 935 CB ASN A 60 5.950 2.803 -14.436 1.00 45.53 C ATOM 936 CG ASN A 60 6.908 3.904 -14.849 1.00 43.31 C ATOM 937 OD1 ASN A 60 6.859 5.016 -14.322 1.00 32.44 O ATOM 938 ND2 ASN A 60 7.786 3.599 -15.798 1.00 4.45 N ATOM 0 H ASN A 60 8.170 2.483 -12.178 1.00 42.43 H new ATOM 0 HA ASN A 60 6.000 2.945 -12.292 1.00 10.12 H new ATOM 0 HB2 ASN A 60 5.976 2.005 -15.178 1.00 45.53 H new ATOM 0 HB3 ASN A 60 4.933 3.195 -14.425 1.00 45.53 H new ATOM 0 HD21 ASN A 60 8.455 4.299 -16.118 1.00 4.45 H new ATOM 0 HD22 ASN A 60 7.791 2.665 -16.207 1.00 4.45 H new ATOM 945 N ILE A 61 6.083 0.022 -12.065 1.00 52.53 N ATOM 946 CA ILE A 61 5.437 -1.250 -11.769 1.00 70.22 C ATOM 947 C ILE A 61 4.982 -1.311 -10.315 1.00 52.41 C ATOM 948 O ILE A 61 5.803 -1.338 -9.399 1.00 32.12 O ATOM 949 CB ILE A 61 6.377 -2.437 -12.051 1.00 33.40 C ATOM 950 CG1 ILE A 61 7.779 -2.145 -11.513 1.00 50.24 C ATOM 951 CG2 ILE A 61 6.426 -2.731 -13.543 1.00 21.31 C ATOM 952 CD1 ILE A 61 8.754 -3.283 -11.718 1.00 2.11 C ATOM 0 H ILE A 61 7.002 0.138 -11.638 1.00 52.53 H new ATOM 0 HA ILE A 61 4.567 -1.322 -12.422 1.00 70.22 H new ATOM 0 HB ILE A 61 5.989 -3.318 -11.540 1.00 33.40 H new ATOM 0 HG12 ILE A 61 8.168 -1.252 -12.001 1.00 50.24 H new ATOM 0 HG13 ILE A 61 7.712 -1.922 -10.448 1.00 50.24 H new ATOM 0 HG21 ILE A 61 7.094 -3.572 -13.726 1.00 21.31 H new ATOM 0 HG22 ILE A 61 5.426 -2.978 -13.898 1.00 21.31 H new ATOM 0 HG23 ILE A 61 6.793 -1.853 -14.075 1.00 21.31 H new ATOM 0 HD11 ILE A 61 9.727 -3.006 -11.312 1.00 2.11 H new ATOM 0 HD12 ILE A 61 8.388 -4.173 -11.206 1.00 2.11 H new ATOM 0 HD13 ILE A 61 8.851 -3.492 -12.783 1.00 2.11 H new ATOM 964 N GLN A 62 3.668 -1.333 -10.112 1.00 45.33 N ATOM 965 CA GLN A 62 3.104 -1.391 -8.769 1.00 23.20 C ATOM 966 C GLN A 62 1.671 -1.910 -8.803 1.00 33.42 C ATOM 967 O GLN A 62 1.145 -2.245 -9.865 1.00 21.45 O ATOM 968 CB GLN A 62 3.143 -0.008 -8.116 1.00 23.50 C ATOM 969 CG GLN A 62 4.457 0.297 -7.415 1.00 65.34 C ATOM 970 CD GLN A 62 4.350 1.467 -6.458 1.00 44.20 C ATOM 971 OE1 GLN A 62 3.252 1.922 -6.135 1.00 64.51 O ATOM 972 NE2 GLN A 62 5.493 1.962 -5.998 1.00 3.41 N ATOM 0 H GLN A 62 2.975 -1.312 -10.860 1.00 45.33 H new ATOM 0 HA GLN A 62 3.707 -2.081 -8.178 1.00 23.20 H new ATOM 0 HB2 GLN A 62 2.963 0.750 -8.879 1.00 23.50 H new ATOM 0 HB3 GLN A 62 2.330 0.067 -7.394 1.00 23.50 H new ATOM 0 HG2 GLN A 62 4.786 -0.586 -6.868 1.00 65.34 H new ATOM 0 HG3 GLN A 62 5.221 0.512 -8.162 1.00 65.34 H new ATOM 0 HE21 GLN A 62 6.380 1.554 -6.292 1.00 3.41 H new ATOM 0 HE22 GLN A 62 5.484 2.750 -5.351 1.00 3.41 H new ATOM 981 N LYS A 63 1.042 -1.975 -7.634 1.00 25.12 N ATOM 982 CA LYS A 63 -0.331 -2.453 -7.528 1.00 51.42 C ATOM 983 C LYS A 63 -0.443 -3.897 -8.006 1.00 54.34 C ATOM 984 O LYS A 63 -0.855 -4.155 -9.137 1.00 2.20 O ATOM 985 CB LYS A 63 -1.268 -1.559 -8.345 1.00 65.41 C ATOM 986 CG LYS A 63 -1.225 -0.098 -7.935 1.00 13.44 C ATOM 987 CD LYS A 63 -1.369 0.823 -9.135 1.00 33.01 C ATOM 988 CE LYS A 63 -0.061 0.949 -9.901 1.00 32.03 C ATOM 989 NZ LYS A 63 -0.259 1.573 -11.238 1.00 54.31 N ATOM 0 H LYS A 63 1.462 -1.702 -6.746 1.00 25.12 H new ATOM 0 HA LYS A 63 -0.624 -2.413 -6.479 1.00 51.42 H new ATOM 0 HB2 LYS A 63 -1.005 -1.640 -9.400 1.00 65.41 H new ATOM 0 HB3 LYS A 63 -2.289 -1.927 -8.242 1.00 65.41 H new ATOM 0 HG2 LYS A 63 -2.024 0.104 -7.222 1.00 13.44 H new ATOM 0 HG3 LYS A 63 -0.284 0.110 -7.426 1.00 13.44 H new ATOM 0 HD2 LYS A 63 -2.145 0.440 -9.798 1.00 33.01 H new ATOM 0 HD3 LYS A 63 -1.693 1.809 -8.802 1.00 33.01 H new ATOM 0 HE2 LYS A 63 0.643 1.547 -9.322 1.00 32.03 H new ATOM 0 HE3 LYS A 63 0.385 -0.038 -10.023 1.00 32.03 H new ATOM 0 HZ1 LYS A 63 0.656 1.641 -11.728 1.00 54.31 H new ATOM 0 HZ2 LYS A 63 -0.911 0.989 -11.800 1.00 54.31 H new ATOM 0 HZ3 LYS A 63 -0.661 2.525 -11.121 1.00 54.31 H new ATOM 1003 N GLU A 64 -0.076 -4.833 -7.137 1.00 73.45 N ATOM 1004 CA GLU A 64 -0.137 -6.251 -7.473 1.00 31.34 C ATOM 1005 C GLU A 64 0.799 -6.577 -8.633 1.00 2.32 C ATOM 1006 O GLU A 64 0.595 -7.553 -9.354 1.00 51.02 O ATOM 1007 CB GLU A 64 -1.570 -6.652 -7.831 1.00 64.40 C ATOM 1008 CG GLU A 64 -2.617 -6.065 -6.900 1.00 30.41 C ATOM 1009 CD GLU A 64 -3.943 -6.797 -6.978 1.00 23.32 C ATOM 1010 OE1 GLU A 64 -4.813 -6.541 -6.119 1.00 44.11 O ATOM 1011 OE2 GLU A 64 -4.110 -7.626 -7.896 1.00 74.25 O ATOM 0 H GLU A 64 0.266 -4.636 -6.197 1.00 73.45 H new ATOM 0 HA GLU A 64 0.184 -6.819 -6.600 1.00 31.34 H new ATOM 0 HB2 GLU A 64 -1.783 -6.333 -8.851 1.00 64.40 H new ATOM 0 HB3 GLU A 64 -1.649 -7.739 -7.814 1.00 64.40 H new ATOM 0 HG2 GLU A 64 -2.247 -6.099 -5.875 1.00 30.41 H new ATOM 0 HG3 GLU A 64 -2.771 -5.015 -7.148 1.00 30.41 H new ATOM 1018 N SER A 65 1.826 -5.751 -8.806 1.00 64.11 N ATOM 1019 CA SER A 65 2.792 -5.948 -9.881 1.00 2.43 C ATOM 1020 C SER A 65 3.295 -7.388 -9.902 1.00 43.24 C ATOM 1021 O SER A 65 3.669 -7.944 -8.869 1.00 42.30 O ATOM 1022 CB SER A 65 3.971 -4.986 -9.718 1.00 20.12 C ATOM 1023 OG SER A 65 3.951 -3.981 -10.716 1.00 41.04 O ATOM 0 H SER A 65 2.011 -4.940 -8.216 1.00 64.11 H new ATOM 0 HA SER A 65 2.292 -5.742 -10.828 1.00 2.43 H new ATOM 0 HB2 SER A 65 3.934 -4.524 -8.731 1.00 20.12 H new ATOM 0 HB3 SER A 65 4.908 -5.541 -9.775 1.00 20.12 H new ATOM 0 HG SER A 65 4.184 -4.376 -11.582 1.00 41.04 H new ATOM 1029 N THR A 66 3.302 -7.988 -11.089 1.00 33.13 N ATOM 1030 CA THR A 66 3.757 -9.363 -11.247 1.00 31.51 C ATOM 1031 C THR A 66 5.276 -9.431 -11.354 1.00 41.12 C ATOM 1032 O THR A 66 5.868 -8.883 -12.285 1.00 51.21 O ATOM 1033 CB THR A 66 3.136 -10.021 -12.494 1.00 11.02 C ATOM 1034 OG1 THR A 66 1.708 -10.026 -12.385 1.00 21.51 O ATOM 1035 CG2 THR A 66 3.642 -11.445 -12.663 1.00 62.43 C ATOM 0 H THR A 66 2.997 -7.542 -11.955 1.00 33.13 H new ATOM 0 HA THR A 66 3.433 -9.906 -10.359 1.00 31.51 H new ATOM 0 HB THR A 66 3.431 -9.442 -13.369 1.00 11.02 H new ATOM 0 HG1 THR A 66 1.321 -10.444 -13.182 1.00 21.51 H new ATOM 0 HG21 THR A 66 3.190 -11.889 -13.550 1.00 62.43 H new ATOM 0 HG22 THR A 66 4.726 -11.435 -12.775 1.00 62.43 H new ATOM 0 HG23 THR A 66 3.373 -12.033 -11.786 1.00 62.43 H new ATOM 1043 N LEU A 67 5.903 -10.106 -10.397 1.00 74.31 N ATOM 1044 CA LEU A 67 7.355 -10.246 -10.385 1.00 34.35 C ATOM 1045 C LEU A 67 7.765 -11.686 -10.674 1.00 64.42 C ATOM 1046 O LEU A 67 6.952 -12.606 -10.580 1.00 31.12 O ATOM 1047 CB LEU A 67 7.917 -9.806 -9.032 1.00 44.41 C ATOM 1048 CG LEU A 67 8.546 -8.412 -8.988 1.00 73.25 C ATOM 1049 CD1 LEU A 67 9.744 -8.338 -9.922 1.00 3.34 C ATOM 1050 CD2 LEU A 67 7.517 -7.352 -9.353 1.00 1.31 C ATOM 0 H LEU A 67 5.429 -10.565 -9.619 1.00 74.31 H new ATOM 0 HA LEU A 67 7.764 -9.607 -11.168 1.00 34.35 H new ATOM 0 HB2 LEU A 67 7.113 -9.843 -8.297 1.00 44.41 H new ATOM 0 HB3 LEU A 67 8.668 -10.532 -8.720 1.00 44.41 H new ATOM 0 HG LEU A 67 8.891 -8.221 -7.972 1.00 73.25 H new ATOM 0 HD11 LEU A 67 10.179 -7.339 -9.878 1.00 3.34 H new ATOM 0 HD12 LEU A 67 10.489 -9.072 -9.616 1.00 3.34 H new ATOM 0 HD13 LEU A 67 9.424 -8.549 -10.942 1.00 3.34 H new ATOM 0 HD21 LEU A 67 7.981 -6.366 -9.317 1.00 1.31 H new ATOM 0 HD22 LEU A 67 7.142 -7.540 -10.359 1.00 1.31 H new ATOM 0 HD23 LEU A 67 6.689 -7.389 -8.645 1.00 1.31 H new ATOM 1062 N HIS A 68 9.033 -11.875 -11.025 1.00 64.54 N ATOM 1063 CA HIS A 68 9.553 -13.205 -11.326 1.00 44.30 C ATOM 1064 C HIS A 68 10.937 -13.398 -10.713 1.00 20.31 C ATOM 1065 O HIS A 68 11.914 -12.797 -11.159 1.00 73.33 O ATOM 1066 CB HIS A 68 9.618 -13.420 -12.838 1.00 43.14 C ATOM 1067 CG HIS A 68 8.302 -13.232 -13.527 1.00 53.12 C ATOM 1068 ND1 HIS A 68 7.512 -14.284 -13.942 1.00 44.30 N ATOM 1069 CD2 HIS A 68 7.636 -12.105 -13.872 1.00 32.01 C ATOM 1070 CE1 HIS A 68 6.419 -13.812 -14.514 1.00 12.04 C ATOM 1071 NE2 HIS A 68 6.469 -12.492 -14.483 1.00 70.45 N ATOM 0 H HIS A 68 9.719 -11.125 -11.108 1.00 64.54 H new ATOM 0 HA HIS A 68 8.876 -13.940 -10.891 1.00 44.30 H new ATOM 0 HB2 HIS A 68 10.344 -12.728 -13.264 1.00 43.14 H new ATOM 0 HB3 HIS A 68 9.983 -14.427 -13.038 1.00 43.14 H new ATOM 0 HD2 HIS A 68 7.962 -11.090 -13.699 1.00 32.01 H new ATOM 0 HE1 HIS A 68 5.620 -14.404 -14.935 1.00 12.04 H new ATOM 0 HE2 HIS A 68 5.756 -11.863 -14.853 1.00 70.45 H new ATOM 1079 N MET A 69 11.012 -14.240 -9.687 1.00 71.34 N ATOM 1080 CA MET A 69 12.276 -14.513 -9.014 1.00 3.23 C ATOM 1081 C MET A 69 12.783 -15.911 -9.353 1.00 33.10 C ATOM 1082 O MET A 69 11.999 -16.851 -9.486 1.00 14.13 O ATOM 1083 CB MET A 69 12.113 -14.370 -7.499 1.00 72.52 C ATOM 1084 CG MET A 69 11.249 -15.455 -6.877 1.00 15.03 C ATOM 1085 SD MET A 69 11.285 -15.423 -5.074 1.00 65.33 S ATOM 1086 CE MET A 69 12.509 -16.688 -4.738 1.00 53.15 C ATOM 0 H MET A 69 10.213 -14.745 -9.304 1.00 71.34 H new ATOM 0 HA MET A 69 13.009 -13.786 -9.364 1.00 3.23 H new ATOM 0 HB2 MET A 69 13.098 -14.389 -7.032 1.00 72.52 H new ATOM 0 HB3 MET A 69 11.674 -13.397 -7.279 1.00 72.52 H new ATOM 0 HG2 MET A 69 10.221 -15.335 -7.218 1.00 15.03 H new ATOM 0 HG3 MET A 69 11.589 -16.430 -7.226 1.00 15.03 H new ATOM 0 HE1 MET A 69 12.709 -16.726 -3.667 1.00 53.15 H new ATOM 0 HE2 MET A 69 12.133 -17.655 -5.071 1.00 53.15 H new ATOM 0 HE3 MET A 69 13.430 -16.453 -5.271 1.00 53.15 H new ATOM 1096 N VAL A 70 14.098 -16.042 -9.493 1.00 2.45 N ATOM 1097 CA VAL A 70 14.709 -17.325 -9.816 1.00 20.54 C ATOM 1098 C VAL A 70 15.937 -17.583 -8.950 1.00 20.23 C ATOM 1099 O VAL A 70 16.843 -16.752 -8.875 1.00 64.42 O ATOM 1100 CB VAL A 70 15.117 -17.395 -11.299 1.00 72.53 C ATOM 1101 CG1 VAL A 70 13.886 -17.487 -12.188 1.00 14.32 C ATOM 1102 CG2 VAL A 70 15.968 -16.192 -11.675 1.00 15.31 C ATOM 0 H VAL A 70 14.761 -15.274 -9.388 1.00 2.45 H new ATOM 0 HA VAL A 70 13.960 -18.091 -9.616 1.00 20.54 H new ATOM 0 HB VAL A 70 15.713 -18.294 -11.451 1.00 72.53 H new ATOM 0 HG11 VAL A 70 14.194 -17.536 -13.232 1.00 14.32 H new ATOM 0 HG12 VAL A 70 13.320 -18.384 -11.935 1.00 14.32 H new ATOM 0 HG13 VAL A 70 13.260 -16.608 -12.035 1.00 14.32 H new ATOM 0 HG21 VAL A 70 16.247 -16.258 -12.727 1.00 15.31 H new ATOM 0 HG22 VAL A 70 15.399 -15.277 -11.507 1.00 15.31 H new ATOM 0 HG23 VAL A 70 16.868 -16.177 -11.061 1.00 15.31 H new ATOM 1112 N LEU A 71 15.961 -18.740 -8.297 1.00 2.34 N ATOM 1113 CA LEU A 71 17.079 -19.109 -7.435 1.00 2.40 C ATOM 1114 C LEU A 71 17.897 -20.236 -8.057 1.00 1.20 C ATOM 1115 O LEU A 71 17.343 -21.188 -8.606 1.00 30.42 O ATOM 1116 CB LEU A 71 16.568 -19.534 -6.057 1.00 62.04 C ATOM 1117 CG LEU A 71 15.541 -18.607 -5.407 1.00 75.10 C ATOM 1118 CD1 LEU A 71 14.874 -19.294 -4.225 1.00 64.31 C ATOM 1119 CD2 LEU A 71 16.197 -17.306 -4.969 1.00 65.30 C ATOM 0 H LEU A 71 15.219 -19.438 -8.348 1.00 2.34 H new ATOM 0 HA LEU A 71 17.723 -18.237 -7.323 1.00 2.40 H new ATOM 0 HB2 LEU A 71 16.127 -20.527 -6.146 1.00 62.04 H new ATOM 0 HB3 LEU A 71 17.423 -19.624 -5.386 1.00 62.04 H new ATOM 0 HG LEU A 71 14.774 -18.373 -6.145 1.00 75.10 H new ATOM 0 HD11 LEU A 71 14.146 -18.619 -3.775 1.00 64.31 H new ATOM 0 HD12 LEU A 71 14.368 -20.197 -4.567 1.00 64.31 H new ATOM 0 HD13 LEU A 71 15.629 -19.559 -3.485 1.00 64.31 H new ATOM 0 HD21 LEU A 71 15.450 -16.659 -4.509 1.00 65.30 H new ATOM 0 HD22 LEU A 71 16.985 -17.521 -4.248 1.00 65.30 H new ATOM 0 HD23 LEU A 71 16.626 -16.805 -5.837 1.00 65.30 H new