USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 472 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 55 GLN : amide:sc= -0.779 X(o=-0.69,f=-0.32) USER MOD Set 1.2: A 56 ASN : amide:sc= 0.0899 X(o=-0.69,f=-0.32) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.0649 (180deg=-0.326) USER MOD Single : A 12 ASN : amide:sc= -2.44 K(o=-2.4,f=-7.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.095 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 137:sc= -0.681 (180deg=-3.99!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= -0.324 (180deg=-1.9) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.199 (180deg=-1.54!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -6.65! C(o=-6.7!,f=-5.3!) USER MOD Single : A 36 GLN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.97) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= -0.0849 (180deg=-0.556) USER MOD Single : A 44 SER OG : rot 87:sc=0.000969 USER MOD Single : A 50 ASN : amide:sc= -3.69 K(o=-3.7,f=-11!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -3.600 -9.825 -5.897 1.00 50.32 N ATOM 29 CA GLU A 3 -4.031 -8.854 -4.898 1.00 63.14 C ATOM 30 C GLU A 3 -3.964 -9.451 -3.495 1.00 71.15 C ATOM 31 O GLU A 3 -3.904 -8.726 -2.503 1.00 40.31 O ATOM 32 CB GLU A 3 -5.455 -8.381 -5.196 1.00 31.44 C ATOM 33 CG GLU A 3 -6.466 -9.512 -5.284 1.00 22.33 C ATOM 34 CD GLU A 3 -6.832 -9.858 -6.714 1.00 62.54 C ATOM 35 OE1 GLU A 3 -5.916 -10.193 -7.495 1.00 24.25 O ATOM 36 OE2 GLU A 3 -8.032 -9.793 -7.054 1.00 3.03 O ATOM 0 HA GLU A 3 -3.355 -8.000 -4.943 1.00 63.14 H new ATOM 0 HB2 GLU A 3 -5.768 -7.685 -4.418 1.00 31.44 H new ATOM 0 HB3 GLU A 3 -5.456 -7.830 -6.136 1.00 31.44 H new ATOM 0 HG2 GLU A 3 -6.060 -10.396 -4.793 1.00 22.33 H new ATOM 0 HG3 GLU A 3 -7.368 -9.231 -4.740 1.00 22.33 H new ATOM 43 N ALA A 4 -3.976 -10.778 -3.422 1.00 73.54 N ATOM 44 CA ALA A 4 -3.916 -11.473 -2.143 1.00 33.15 C ATOM 45 C ALA A 4 -2.722 -11.003 -1.318 1.00 41.33 C ATOM 46 O ALA A 4 -2.732 -11.084 -0.089 1.00 54.24 O ATOM 47 CB ALA A 4 -3.848 -12.977 -2.362 1.00 33.13 C ATOM 0 H ALA A 4 -4.027 -11.393 -4.234 1.00 73.54 H new ATOM 0 HA ALA A 4 -4.824 -11.238 -1.587 1.00 33.15 H new ATOM 0 HB1 ALA A 4 -3.804 -13.483 -1.398 1.00 33.13 H new ATOM 0 HB2 ALA A 4 -4.734 -13.306 -2.904 1.00 33.13 H new ATOM 0 HB3 ALA A 4 -2.957 -13.220 -2.941 1.00 33.13 H new ATOM 53 N LEU A 5 -1.694 -10.512 -2.002 1.00 31.04 N ATOM 54 CA LEU A 5 -0.491 -10.028 -1.332 1.00 31.42 C ATOM 55 C LEU A 5 -0.811 -8.842 -0.428 1.00 63.14 C ATOM 56 O LEU A 5 -0.264 -8.718 0.668 1.00 2.43 O ATOM 57 CB LEU A 5 0.565 -9.628 -2.363 1.00 74.22 C ATOM 58 CG LEU A 5 0.651 -10.509 -3.611 1.00 30.21 C ATOM 59 CD1 LEU A 5 1.835 -10.098 -4.472 1.00 64.34 C ATOM 60 CD2 LEU A 5 0.756 -11.976 -3.222 1.00 75.21 C ATOM 0 H LEU A 5 -1.669 -10.438 -3.019 1.00 31.04 H new ATOM 0 HA LEU A 5 -0.099 -10.836 -0.715 1.00 31.42 H new ATOM 0 HB2 LEU A 5 0.367 -8.604 -2.678 1.00 74.22 H new ATOM 0 HB3 LEU A 5 1.539 -9.628 -1.875 1.00 74.22 H new ATOM 0 HG LEU A 5 -0.261 -10.373 -4.193 1.00 30.21 H new ATOM 0 HD11 LEU A 5 1.881 -10.735 -5.355 1.00 64.34 H new ATOM 0 HD12 LEU A 5 1.718 -9.059 -4.780 1.00 64.34 H new ATOM 0 HD13 LEU A 5 2.756 -10.205 -3.899 1.00 64.34 H new ATOM 0 HD21 LEU A 5 0.816 -12.588 -4.122 1.00 75.21 H new ATOM 0 HD22 LEU A 5 1.651 -12.129 -2.619 1.00 75.21 H new ATOM 0 HD23 LEU A 5 -0.124 -12.264 -2.646 1.00 75.21 H new ATOM 72 N PHE A 6 -1.702 -7.972 -0.894 1.00 22.41 N ATOM 73 CA PHE A 6 -2.095 -6.797 -0.127 1.00 11.40 C ATOM 74 C PHE A 6 -2.751 -7.200 1.190 1.00 41.02 C ATOM 75 O PHE A 6 -2.415 -6.674 2.251 1.00 30.11 O ATOM 76 CB PHE A 6 -3.055 -5.928 -0.943 1.00 24.21 C ATOM 77 CG PHE A 6 -3.881 -4.996 -0.103 1.00 64.02 C ATOM 78 CD1 PHE A 6 -5.027 -5.446 0.531 1.00 1.53 C ATOM 79 CD2 PHE A 6 -3.510 -3.670 0.052 1.00 25.05 C ATOM 80 CE1 PHE A 6 -5.790 -4.590 1.305 1.00 5.01 C ATOM 81 CE2 PHE A 6 -4.267 -2.810 0.825 1.00 14.13 C ATOM 82 CZ PHE A 6 -5.409 -3.270 1.452 1.00 60.23 C ATOM 0 H PHE A 6 -2.165 -8.059 -1.799 1.00 22.41 H new ATOM 0 HA PHE A 6 -1.196 -6.223 0.097 1.00 11.40 H new ATOM 0 HB2 PHE A 6 -2.481 -5.344 -1.662 1.00 24.21 H new ATOM 0 HB3 PHE A 6 -3.720 -6.574 -1.515 1.00 24.21 H new ATOM 0 HD1 PHE A 6 -5.329 -6.477 0.420 1.00 1.53 H new ATOM 0 HD2 PHE A 6 -2.619 -3.304 -0.437 1.00 25.05 H new ATOM 0 HE1 PHE A 6 -6.682 -4.953 1.794 1.00 5.01 H new ATOM 0 HE2 PHE A 6 -3.966 -1.779 0.939 1.00 14.13 H new ATOM 0 HZ PHE A 6 -6.003 -2.599 2.056 1.00 60.23 H new ATOM 92 N LYS A 7 -3.689 -8.137 1.114 1.00 74.40 N ATOM 93 CA LYS A 7 -4.394 -8.613 2.298 1.00 32.44 C ATOM 94 C LYS A 7 -3.501 -9.528 3.131 1.00 72.21 C ATOM 95 O LYS A 7 -3.675 -9.643 4.344 1.00 44.15 O ATOM 96 CB LYS A 7 -5.669 -9.357 1.894 1.00 31.41 C ATOM 97 CG LYS A 7 -5.808 -10.723 2.544 1.00 14.15 C ATOM 98 CD LYS A 7 -7.073 -11.431 2.089 1.00 13.13 C ATOM 99 CE LYS A 7 -8.271 -11.031 2.935 1.00 34.34 C ATOM 100 NZ LYS A 7 -8.166 -11.553 4.326 1.00 11.44 N ATOM 0 H LYS A 7 -3.979 -8.583 0.244 1.00 74.40 H new ATOM 0 HA LYS A 7 -4.663 -7.747 2.903 1.00 32.44 H new ATOM 0 HB2 LYS A 7 -6.534 -8.749 2.158 1.00 31.41 H new ATOM 0 HB3 LYS A 7 -5.682 -9.476 0.811 1.00 31.41 H new ATOM 0 HG2 LYS A 7 -4.940 -11.334 2.298 1.00 14.15 H new ATOM 0 HG3 LYS A 7 -5.822 -10.611 3.628 1.00 14.15 H new ATOM 0 HD2 LYS A 7 -7.269 -11.192 1.044 1.00 13.13 H new ATOM 0 HD3 LYS A 7 -6.929 -12.510 2.148 1.00 13.13 H new ATOM 0 HE2 LYS A 7 -8.352 -9.944 2.960 1.00 34.34 H new ATOM 0 HE3 LYS A 7 -9.184 -11.408 2.473 1.00 34.34 H new ATOM 0 HZ1 LYS A 7 -9.109 -11.564 4.765 1.00 11.44 H new ATOM 0 HZ2 LYS A 7 -7.782 -12.519 4.306 1.00 11.44 H new ATOM 0 HZ3 LYS A 7 -7.534 -10.940 4.880 1.00 11.44 H new ATOM 114 N GLU A 8 -2.546 -10.177 2.471 1.00 2.40 N ATOM 115 CA GLU A 8 -1.627 -11.080 3.151 1.00 24.03 C ATOM 116 C GLU A 8 -0.716 -10.313 4.105 1.00 44.43 C ATOM 117 O GLU A 8 -0.459 -10.753 5.226 1.00 34.52 O ATOM 118 CB GLU A 8 -0.784 -11.849 2.132 1.00 74.42 C ATOM 119 CG GLU A 8 0.042 -12.967 2.745 1.00 64.13 C ATOM 120 CD GLU A 8 1.058 -13.542 1.776 1.00 2.50 C ATOM 121 OE1 GLU A 8 0.641 -14.083 0.732 1.00 60.33 O ATOM 122 OE2 GLU A 8 2.270 -13.447 2.063 1.00 20.21 O ATOM 0 H GLU A 8 -2.390 -10.093 1.467 1.00 2.40 H new ATOM 0 HA GLU A 8 -2.218 -11.788 3.731 1.00 24.03 H new ATOM 0 HB2 GLU A 8 -1.442 -12.270 1.372 1.00 74.42 H new ATOM 0 HB3 GLU A 8 -0.117 -11.152 1.625 1.00 74.42 H new ATOM 0 HG2 GLU A 8 0.560 -12.589 3.627 1.00 64.13 H new ATOM 0 HG3 GLU A 8 -0.623 -13.762 3.082 1.00 64.13 H new ATOM 129 N ILE A 9 -0.229 -9.162 3.652 1.00 71.13 N ATOM 130 CA ILE A 9 0.653 -8.333 4.463 1.00 10.42 C ATOM 131 C ILE A 9 -0.094 -7.732 5.648 1.00 13.43 C ATOM 132 O ILE A 9 0.508 -7.380 6.663 1.00 72.32 O ATOM 133 CB ILE A 9 1.278 -7.195 3.634 1.00 71.21 C ATOM 134 CG1 ILE A 9 2.174 -7.769 2.534 1.00 34.52 C ATOM 135 CG2 ILE A 9 2.068 -6.257 4.532 1.00 1.35 C ATOM 136 CD1 ILE A 9 3.402 -8.476 3.064 1.00 22.51 C ATOM 0 H ILE A 9 -0.431 -8.783 2.727 1.00 71.13 H new ATOM 0 HA ILE A 9 1.448 -8.983 4.829 1.00 10.42 H new ATOM 0 HB ILE A 9 0.476 -6.626 3.164 1.00 71.21 H new ATOM 0 HG12 ILE A 9 1.594 -8.468 1.931 1.00 34.52 H new ATOM 0 HG13 ILE A 9 2.487 -6.961 1.872 1.00 34.52 H new ATOM 0 HG21 ILE A 9 2.503 -5.459 3.931 1.00 1.35 H new ATOM 0 HG22 ILE A 9 1.404 -5.826 5.282 1.00 1.35 H new ATOM 0 HG23 ILE A 9 2.864 -6.813 5.028 1.00 1.35 H new ATOM 0 HD11 ILE A 9 3.991 -8.858 2.230 1.00 22.51 H new ATOM 0 HD12 ILE A 9 4.004 -7.775 3.642 1.00 22.51 H new ATOM 0 HD13 ILE A 9 3.097 -9.305 3.702 1.00 22.51 H new ATOM 148 N ASP A 10 -1.411 -7.617 5.514 1.00 40.34 N ATOM 149 CA ASP A 10 -2.244 -7.061 6.574 1.00 45.23 C ATOM 150 C ASP A 10 -2.521 -8.104 7.651 1.00 21.34 C ATOM 151 O ASP A 10 -3.604 -8.687 7.702 1.00 74.40 O ATOM 152 CB ASP A 10 -3.561 -6.541 5.998 1.00 13.03 C ATOM 153 CG ASP A 10 -3.425 -5.156 5.397 1.00 74.54 C ATOM 154 OD1 ASP A 10 -2.277 -4.709 5.193 1.00 22.41 O ATOM 155 OD2 ASP A 10 -4.466 -4.520 5.129 1.00 3.50 O ATOM 0 H ASP A 10 -1.925 -7.902 4.680 1.00 40.34 H new ATOM 0 HA ASP A 10 -1.704 -6.231 7.029 1.00 45.23 H new ATOM 0 HB2 ASP A 10 -3.917 -7.232 5.234 1.00 13.03 H new ATOM 0 HB3 ASP A 10 -4.315 -6.520 6.785 1.00 13.03 H new ATOM 160 N VAL A 11 -1.533 -8.337 8.511 1.00 55.24 N ATOM 161 CA VAL A 11 -1.671 -9.311 9.587 1.00 41.50 C ATOM 162 C VAL A 11 -2.822 -8.943 10.518 1.00 61.21 C ATOM 163 O VAL A 11 -3.319 -9.782 11.268 1.00 54.43 O ATOM 164 CB VAL A 11 -0.375 -9.423 10.412 1.00 62.41 C ATOM 165 CG1 VAL A 11 -0.465 -10.582 11.393 1.00 44.21 C ATOM 166 CG2 VAL A 11 0.827 -9.583 9.494 1.00 43.35 C ATOM 0 H VAL A 11 -0.629 -7.865 8.483 1.00 55.24 H new ATOM 0 HA VAL A 11 -1.880 -10.273 9.118 1.00 41.50 H new ATOM 0 HB VAL A 11 -0.248 -8.504 10.984 1.00 62.41 H new ATOM 0 HG11 VAL A 11 0.459 -10.646 11.967 1.00 44.21 H new ATOM 0 HG12 VAL A 11 -1.303 -10.420 12.071 1.00 44.21 H new ATOM 0 HG13 VAL A 11 -0.616 -11.512 10.845 1.00 44.21 H new ATOM 0 HG21 VAL A 11 1.734 -9.661 10.093 1.00 43.35 H new ATOM 0 HG22 VAL A 11 0.709 -10.486 8.895 1.00 43.35 H new ATOM 0 HG23 VAL A 11 0.900 -8.717 8.836 1.00 43.35 H new ATOM 176 N ASN A 12 -3.240 -7.682 10.462 1.00 31.11 N ATOM 177 CA ASN A 12 -4.333 -7.203 11.301 1.00 52.13 C ATOM 178 C ASN A 12 -5.684 -7.543 10.680 1.00 73.32 C ATOM 179 O ASN A 12 -6.734 -7.241 11.246 1.00 0.12 O ATOM 180 CB ASN A 12 -4.220 -5.691 11.506 1.00 53.21 C ATOM 181 CG ASN A 12 -3.873 -4.958 10.224 1.00 53.43 C ATOM 182 OD1 ASN A 12 -4.136 -5.447 9.125 1.00 34.14 O ATOM 183 ND2 ASN A 12 -3.280 -3.778 10.360 1.00 50.31 N ATOM 0 H ASN A 12 -2.839 -6.975 9.846 1.00 31.11 H new ATOM 0 HA ASN A 12 -4.262 -7.701 12.268 1.00 52.13 H new ATOM 0 HB2 ASN A 12 -5.163 -5.308 11.896 1.00 53.21 H new ATOM 0 HB3 ASN A 12 -3.457 -5.485 12.257 1.00 53.21 H new ATOM 0 HD21 ASN A 12 -3.023 -3.238 9.534 1.00 50.31 H new ATOM 0 HD22 ASN A 12 -3.081 -3.411 11.291 1.00 50.31 H new ATOM 190 N GLY A 13 -5.650 -8.177 9.511 1.00 2.34 N ATOM 191 CA GLY A 13 -6.878 -8.549 8.833 1.00 14.01 C ATOM 192 C GLY A 13 -7.858 -7.397 8.733 1.00 11.23 C ATOM 193 O GLY A 13 -9.050 -7.563 8.991 1.00 50.23 O ATOM 0 H GLY A 13 -4.794 -8.439 9.022 1.00 2.34 H new ATOM 0 HA2 GLY A 13 -6.642 -8.909 7.832 1.00 14.01 H new ATOM 0 HA3 GLY A 13 -7.347 -9.376 9.366 1.00 14.01 H new ATOM 197 N ASP A 14 -7.354 -6.225 8.361 1.00 33.11 N ATOM 198 CA ASP A 14 -8.194 -5.040 8.229 1.00 42.33 C ATOM 199 C ASP A 14 -8.487 -4.742 6.762 1.00 32.22 C ATOM 200 O ASP A 14 -9.405 -3.989 6.442 1.00 13.51 O ATOM 201 CB ASP A 14 -7.516 -3.834 8.880 1.00 1.42 C ATOM 202 CG ASP A 14 -6.106 -3.613 8.367 1.00 71.40 C ATOM 203 OD1 ASP A 14 -5.716 -4.294 7.394 1.00 11.11 O ATOM 204 OD2 ASP A 14 -5.394 -2.762 8.936 1.00 2.02 O ATOM 0 H ASP A 14 -6.369 -6.070 8.146 1.00 33.11 H new ATOM 0 HA ASP A 14 -9.138 -5.236 8.737 1.00 42.33 H new ATOM 0 HB2 ASP A 14 -8.112 -2.941 8.692 1.00 1.42 H new ATOM 0 HB3 ASP A 14 -7.488 -3.976 9.960 1.00 1.42 H new ATOM 209 N GLY A 15 -7.700 -5.341 5.873 1.00 1.01 N ATOM 210 CA GLY A 15 -7.891 -5.127 4.450 1.00 11.04 C ATOM 211 C GLY A 15 -7.557 -3.710 4.027 1.00 61.13 C ATOM 212 O GLY A 15 -7.985 -3.255 2.967 1.00 50.42 O ATOM 0 H GLY A 15 -6.934 -5.970 6.113 1.00 1.01 H new ATOM 0 HA2 GLY A 15 -7.266 -5.826 3.894 1.00 11.04 H new ATOM 0 HA3 GLY A 15 -8.926 -5.347 4.188 1.00 11.04 H new ATOM 216 N ALA A 16 -6.791 -3.011 4.857 1.00 24.32 N ATOM 217 CA ALA A 16 -6.399 -1.638 4.563 1.00 23.24 C ATOM 218 C ALA A 16 -4.909 -1.427 4.810 1.00 30.41 C ATOM 219 O ALA A 16 -4.366 -1.878 5.819 1.00 14.13 O ATOM 220 CB ALA A 16 -7.217 -0.665 5.400 1.00 72.31 C ATOM 0 H ALA A 16 -6.429 -3.373 5.739 1.00 24.32 H new ATOM 0 HA ALA A 16 -6.596 -1.448 3.508 1.00 23.24 H new ATOM 0 HB1 ALA A 16 -6.914 0.357 5.170 1.00 72.31 H new ATOM 0 HB2 ALA A 16 -8.276 -0.789 5.172 1.00 72.31 H new ATOM 0 HB3 ALA A 16 -7.048 -0.864 6.458 1.00 72.31 H new ATOM 226 N VAL A 17 -4.251 -0.740 3.881 1.00 30.41 N ATOM 227 CA VAL A 17 -2.823 -0.470 3.997 1.00 32.15 C ATOM 228 C VAL A 17 -2.539 1.026 3.915 1.00 35.20 C ATOM 229 O VAL A 17 -2.732 1.648 2.871 1.00 73.13 O ATOM 230 CB VAL A 17 -2.023 -1.194 2.899 1.00 73.32 C ATOM 231 CG1 VAL A 17 -0.580 -0.713 2.883 1.00 33.03 C ATOM 232 CG2 VAL A 17 -2.089 -2.701 3.099 1.00 23.14 C ATOM 0 H VAL A 17 -4.685 -0.360 3.039 1.00 30.41 H new ATOM 0 HA VAL A 17 -2.508 -0.845 4.971 1.00 32.15 H new ATOM 0 HB VAL A 17 -2.469 -0.958 1.933 1.00 73.32 H new ATOM 0 HG11 VAL A 17 -0.031 -1.236 2.100 1.00 33.03 H new ATOM 0 HG12 VAL A 17 -0.556 0.359 2.688 1.00 33.03 H new ATOM 0 HG13 VAL A 17 -0.118 -0.917 3.849 1.00 33.03 H new ATOM 0 HG21 VAL A 17 -1.518 -3.198 2.314 1.00 23.14 H new ATOM 0 HG22 VAL A 17 -1.669 -2.958 4.071 1.00 23.14 H new ATOM 0 HG23 VAL A 17 -3.128 -3.029 3.055 1.00 23.14 H new ATOM 242 N SER A 18 -2.079 1.597 5.023 1.00 64.20 N ATOM 243 CA SER A 18 -1.770 3.021 5.078 1.00 75.33 C ATOM 244 C SER A 18 -0.362 3.292 4.556 1.00 1.23 C ATOM 245 O SER A 18 0.381 2.366 4.232 1.00 71.11 O ATOM 246 CB SER A 18 -1.903 3.539 6.511 1.00 31.34 C ATOM 247 OG SER A 18 -2.021 2.468 7.431 1.00 22.44 O ATOM 0 H SER A 18 -1.912 1.095 5.895 1.00 64.20 H new ATOM 0 HA SER A 18 -2.482 3.547 4.442 1.00 75.33 H new ATOM 0 HB2 SER A 18 -1.034 4.146 6.764 1.00 31.34 H new ATOM 0 HB3 SER A 18 -2.777 4.186 6.588 1.00 31.34 H new ATOM 0 HG SER A 18 -2.103 2.825 8.340 1.00 22.44 H new ATOM 253 N TYR A 19 -0.003 4.568 4.479 1.00 50.43 N ATOM 254 CA TYR A 19 1.315 4.964 3.995 1.00 15.44 C ATOM 255 C TYR A 19 2.414 4.173 4.698 1.00 74.44 C ATOM 256 O TYR A 19 3.333 3.665 4.057 1.00 30.10 O ATOM 257 CB TYR A 19 1.532 6.462 4.212 1.00 41.24 C ATOM 258 CG TYR A 19 1.413 6.889 5.657 1.00 1.10 C ATOM 259 CD1 TYR A 19 0.169 7.126 6.231 1.00 43.25 C ATOM 260 CD2 TYR A 19 2.542 7.056 6.450 1.00 72.45 C ATOM 261 CE1 TYR A 19 0.055 7.517 7.551 1.00 73.41 C ATOM 262 CE2 TYR A 19 2.437 7.444 7.770 1.00 22.34 C ATOM 263 CZ TYR A 19 1.192 7.674 8.317 1.00 73.10 C ATOM 264 OH TYR A 19 1.083 8.063 9.633 1.00 75.52 O ATOM 0 H TYR A 19 -0.606 5.347 4.745 1.00 50.43 H new ATOM 0 HA TYR A 19 1.362 4.747 2.928 1.00 15.44 H new ATOM 0 HB2 TYR A 19 2.520 6.735 3.842 1.00 41.24 H new ATOM 0 HB3 TYR A 19 0.805 7.016 3.618 1.00 41.24 H new ATOM 0 HD1 TYR A 19 -0.723 7.002 5.635 1.00 43.25 H new ATOM 0 HD2 TYR A 19 3.519 6.879 6.025 1.00 72.45 H new ATOM 0 HE1 TYR A 19 -0.919 7.699 7.981 1.00 73.41 H new ATOM 0 HE2 TYR A 19 3.325 7.567 8.372 1.00 22.34 H new ATOM 0 HH TYR A 19 1.977 8.126 10.031 1.00 75.52 H new ATOM 274 N GLU A 20 2.308 4.072 6.019 1.00 61.25 N ATOM 275 CA GLU A 20 3.294 3.341 6.809 1.00 13.11 C ATOM 276 C GLU A 20 3.352 1.876 6.387 1.00 63.13 C ATOM 277 O GLU A 20 4.430 1.329 6.159 1.00 34.41 O ATOM 278 CB GLU A 20 2.960 3.442 8.299 1.00 73.42 C ATOM 279 CG GLU A 20 3.938 4.296 9.086 1.00 64.41 C ATOM 280 CD GLU A 20 4.469 3.589 10.318 1.00 5.12 C ATOM 281 OE1 GLU A 20 3.702 2.825 10.940 1.00 13.41 O ATOM 282 OE2 GLU A 20 5.651 3.801 10.661 1.00 23.21 O ATOM 0 H GLU A 20 1.552 4.486 6.564 1.00 61.25 H new ATOM 0 HA GLU A 20 4.271 3.790 6.631 1.00 13.11 H new ATOM 0 HB2 GLU A 20 1.958 3.856 8.411 1.00 73.42 H new ATOM 0 HB3 GLU A 20 2.940 2.440 8.727 1.00 73.42 H new ATOM 0 HG2 GLU A 20 4.773 4.573 8.442 1.00 64.41 H new ATOM 0 HG3 GLU A 20 3.447 5.222 9.386 1.00 64.41 H new ATOM 289 N GLU A 21 2.184 1.248 6.285 1.00 40.13 N ATOM 290 CA GLU A 21 2.103 -0.154 5.891 1.00 44.45 C ATOM 291 C GLU A 21 2.782 -0.380 4.543 1.00 42.22 C ATOM 292 O GLU A 21 3.439 -1.400 4.330 1.00 54.11 O ATOM 293 CB GLU A 21 0.643 -0.602 5.821 1.00 53.02 C ATOM 294 CG GLU A 21 0.097 -1.107 7.146 1.00 53.31 C ATOM 295 CD GLU A 21 -0.955 -2.186 6.971 1.00 45.14 C ATOM 296 OE1 GLU A 21 -0.582 -3.329 6.631 1.00 3.13 O ATOM 297 OE2 GLU A 21 -2.150 -1.888 7.172 1.00 3.23 O ATOM 0 H GLU A 21 1.282 1.687 6.470 1.00 40.13 H new ATOM 0 HA GLU A 21 2.622 -0.748 6.643 1.00 44.45 H new ATOM 0 HB2 GLU A 21 0.031 0.233 5.480 1.00 53.02 H new ATOM 0 HB3 GLU A 21 0.549 -1.391 5.075 1.00 53.02 H new ATOM 0 HG2 GLU A 21 0.918 -1.499 7.747 1.00 53.31 H new ATOM 0 HG3 GLU A 21 -0.333 -0.272 7.699 1.00 53.31 H new ATOM 304 N VAL A 22 2.619 0.578 3.636 1.00 31.25 N ATOM 305 CA VAL A 22 3.216 0.484 2.309 1.00 1.44 C ATOM 306 C VAL A 22 4.738 0.490 2.390 1.00 34.41 C ATOM 307 O VAL A 22 5.401 -0.413 1.879 1.00 61.41 O ATOM 308 CB VAL A 22 2.756 1.643 1.404 1.00 33.34 C ATOM 309 CG1 VAL A 22 3.558 1.661 0.112 1.00 42.34 C ATOM 310 CG2 VAL A 22 1.266 1.533 1.115 1.00 63.42 C ATOM 0 H VAL A 22 2.078 1.428 3.796 1.00 31.25 H new ATOM 0 HA VAL A 22 2.882 -0.459 1.877 1.00 1.44 H new ATOM 0 HB VAL A 22 2.933 2.583 1.927 1.00 33.34 H new ATOM 0 HG11 VAL A 22 3.220 2.486 -0.515 1.00 42.34 H new ATOM 0 HG12 VAL A 22 4.616 1.790 0.342 1.00 42.34 H new ATOM 0 HG13 VAL A 22 3.414 0.720 -0.418 1.00 42.34 H new ATOM 0 HG21 VAL A 22 0.958 2.359 0.475 1.00 63.42 H new ATOM 0 HG22 VAL A 22 1.062 0.588 0.612 1.00 63.42 H new ATOM 0 HG23 VAL A 22 0.710 1.573 2.052 1.00 63.42 H new ATOM 320 N LYS A 23 5.287 1.513 3.034 1.00 1.42 N ATOM 321 CA LYS A 23 6.732 1.637 3.185 1.00 45.54 C ATOM 322 C LYS A 23 7.322 0.385 3.824 1.00 62.40 C ATOM 323 O LYS A 23 8.413 -0.054 3.460 1.00 0.30 O ATOM 324 CB LYS A 23 7.074 2.866 4.032 1.00 34.31 C ATOM 325 CG LYS A 23 7.895 3.906 3.292 1.00 42.12 C ATOM 326 CD LYS A 23 8.913 4.568 4.207 1.00 33.53 C ATOM 327 CE LYS A 23 8.472 5.966 4.612 1.00 31.23 C ATOM 328 NZ LYS A 23 8.786 6.973 3.561 1.00 45.22 N ATOM 0 H LYS A 23 4.753 2.270 3.461 1.00 1.42 H new ATOM 0 HA LYS A 23 7.167 1.755 2.193 1.00 45.54 H new ATOM 0 HB2 LYS A 23 6.149 3.326 4.380 1.00 34.31 H new ATOM 0 HB3 LYS A 23 7.623 2.545 4.917 1.00 34.31 H new ATOM 0 HG2 LYS A 23 8.409 3.436 2.454 1.00 42.12 H new ATOM 0 HG3 LYS A 23 7.232 4.664 2.875 1.00 42.12 H new ATOM 0 HD2 LYS A 23 9.054 3.957 5.099 1.00 33.53 H new ATOM 0 HD3 LYS A 23 9.877 4.622 3.702 1.00 33.53 H new ATOM 0 HE2 LYS A 23 7.399 5.966 4.806 1.00 31.23 H new ATOM 0 HE3 LYS A 23 8.965 6.247 5.543 1.00 31.23 H new ATOM 0 HZ1 LYS A 23 7.977 7.616 3.444 1.00 45.22 H new ATOM 0 HZ2 LYS A 23 9.625 7.519 3.843 1.00 45.22 H new ATOM 0 HZ3 LYS A 23 8.975 6.488 2.661 1.00 45.22 H new ATOM 342 N ALA A 24 6.594 -0.187 4.777 1.00 31.11 N ATOM 343 CA ALA A 24 7.044 -1.392 5.463 1.00 41.41 C ATOM 344 C ALA A 24 7.041 -2.592 4.524 1.00 63.31 C ATOM 345 O ALA A 24 7.969 -3.403 4.534 1.00 53.23 O ATOM 346 CB ALA A 24 6.168 -1.666 6.676 1.00 33.33 C ATOM 0 H ALA A 24 5.690 0.165 5.092 1.00 31.11 H new ATOM 0 HA ALA A 24 8.069 -1.229 5.797 1.00 41.41 H new ATOM 0 HB1 ALA A 24 6.515 -2.569 7.179 1.00 33.33 H new ATOM 0 HB2 ALA A 24 6.225 -0.822 7.364 1.00 33.33 H new ATOM 0 HB3 ALA A 24 5.135 -1.804 6.355 1.00 33.33 H new ATOM 352 N PHE A 25 5.994 -2.701 3.714 1.00 33.30 N ATOM 353 CA PHE A 25 5.871 -3.805 2.768 1.00 33.34 C ATOM 354 C PHE A 25 7.134 -3.942 1.922 1.00 14.43 C ATOM 355 O PHE A 25 7.712 -5.023 1.820 1.00 23.53 O ATOM 356 CB PHE A 25 4.656 -3.595 1.862 1.00 3.03 C ATOM 357 CG PHE A 25 4.318 -4.796 1.024 1.00 5.24 C ATOM 358 CD1 PHE A 25 4.965 -6.003 1.229 1.00 70.43 C ATOM 359 CD2 PHE A 25 3.353 -4.715 0.033 1.00 30.52 C ATOM 360 CE1 PHE A 25 4.657 -7.108 0.458 1.00 21.44 C ATOM 361 CE2 PHE A 25 3.041 -5.818 -0.739 1.00 54.33 C ATOM 362 CZ PHE A 25 3.692 -7.017 -0.526 1.00 3.50 C ATOM 0 H PHE A 25 5.218 -2.039 3.693 1.00 33.30 H new ATOM 0 HA PHE A 25 5.736 -4.725 3.338 1.00 33.34 H new ATOM 0 HB2 PHE A 25 3.794 -3.337 2.477 1.00 3.03 H new ATOM 0 HB3 PHE A 25 4.845 -2.745 1.206 1.00 3.03 H new ATOM 0 HD1 PHE A 25 5.718 -6.082 1.999 1.00 70.43 H new ATOM 0 HD2 PHE A 25 2.839 -3.780 -0.138 1.00 30.52 H new ATOM 0 HE1 PHE A 25 5.171 -8.043 0.625 1.00 21.44 H new ATOM 0 HE2 PHE A 25 2.288 -5.742 -1.509 1.00 54.33 H new ATOM 0 HZ PHE A 25 3.447 -7.881 -1.127 1.00 3.50 H new ATOM 372 N VAL A 26 7.554 -2.835 1.317 1.00 73.35 N ATOM 373 CA VAL A 26 8.748 -2.830 0.480 1.00 42.12 C ATOM 374 C VAL A 26 10.008 -3.010 1.318 1.00 10.04 C ATOM 375 O VAL A 26 11.008 -3.553 0.848 1.00 54.12 O ATOM 376 CB VAL A 26 8.863 -1.521 -0.325 1.00 33.01 C ATOM 377 CG1 VAL A 26 9.702 -0.502 0.430 1.00 22.15 C ATOM 378 CG2 VAL A 26 9.450 -1.793 -1.702 1.00 31.01 C ATOM 0 H VAL A 26 7.086 -1.932 1.391 1.00 73.35 H new ATOM 0 HA VAL A 26 8.653 -3.667 -0.212 1.00 42.12 H new ATOM 0 HB VAL A 26 7.864 -1.106 -0.457 1.00 33.01 H new ATOM 0 HG11 VAL A 26 9.772 0.416 -0.154 1.00 22.15 H new ATOM 0 HG12 VAL A 26 9.235 -0.286 1.391 1.00 22.15 H new ATOM 0 HG13 VAL A 26 10.702 -0.904 0.595 1.00 22.15 H new ATOM 0 HG21 VAL A 26 9.524 -0.858 -2.257 1.00 31.01 H new ATOM 0 HG22 VAL A 26 10.442 -2.231 -1.594 1.00 31.01 H new ATOM 0 HG23 VAL A 26 8.805 -2.485 -2.242 1.00 31.01 H new ATOM 388 N SER A 27 9.954 -2.550 2.565 1.00 35.33 N ATOM 389 CA SER A 27 11.092 -2.658 3.470 1.00 61.03 C ATOM 390 C SER A 27 11.479 -4.118 3.686 1.00 33.00 C ATOM 391 O SER A 27 12.618 -4.426 4.037 1.00 33.32 O ATOM 392 CB SER A 27 10.768 -2.000 4.812 1.00 35.42 C ATOM 393 OG SER A 27 11.312 -0.694 4.886 1.00 54.04 O ATOM 0 H SER A 27 9.134 -2.099 2.971 1.00 35.33 H new ATOM 0 HA SER A 27 11.936 -2.141 3.015 1.00 61.03 H new ATOM 0 HB2 SER A 27 9.687 -1.955 4.947 1.00 35.42 H new ATOM 0 HB3 SER A 27 11.165 -2.609 5.624 1.00 35.42 H new ATOM 0 HG SER A 27 11.089 -0.295 5.753 1.00 54.04 H new ATOM 399 N LYS A 28 10.521 -5.014 3.474 1.00 61.50 N ATOM 400 CA LYS A 28 10.758 -6.443 3.644 1.00 40.10 C ATOM 401 C LYS A 28 11.623 -6.989 2.512 1.00 64.01 C ATOM 402 O LYS A 28 12.068 -8.137 2.555 1.00 1.20 O ATOM 403 CB LYS A 28 9.428 -7.199 3.693 1.00 65.41 C ATOM 404 CG LYS A 28 8.939 -7.476 5.104 1.00 61.20 C ATOM 405 CD LYS A 28 8.905 -6.208 5.941 1.00 24.32 C ATOM 406 CE LYS A 28 10.105 -6.123 6.872 1.00 21.32 C ATOM 407 NZ LYS A 28 10.686 -4.752 6.903 1.00 64.43 N ATOM 0 H LYS A 28 9.573 -4.776 3.184 1.00 61.50 H new ATOM 0 HA LYS A 28 11.287 -6.589 4.586 1.00 40.10 H new ATOM 0 HB2 LYS A 28 8.671 -6.622 3.162 1.00 65.41 H new ATOM 0 HB3 LYS A 28 9.537 -8.145 3.163 1.00 65.41 H new ATOM 0 HG2 LYS A 28 7.942 -7.914 5.065 1.00 61.20 H new ATOM 0 HG3 LYS A 28 9.591 -8.209 5.579 1.00 61.20 H new ATOM 0 HD2 LYS A 28 8.890 -5.338 5.285 1.00 24.32 H new ATOM 0 HD3 LYS A 28 7.986 -6.182 6.527 1.00 24.32 H new ATOM 0 HE2 LYS A 28 9.805 -6.413 7.879 1.00 21.32 H new ATOM 0 HE3 LYS A 28 10.866 -6.833 6.549 1.00 21.32 H new ATOM 0 HZ1 LYS A 28 10.929 -4.500 7.882 1.00 64.43 H new ATOM 0 HZ2 LYS A 28 11.544 -4.725 6.315 1.00 64.43 H new ATOM 0 HZ3 LYS A 28 9.991 -4.072 6.533 1.00 64.43 H new ATOM 421 N LYS A 29 11.861 -6.159 1.502 1.00 12.13 N ATOM 422 CA LYS A 29 12.676 -6.557 0.359 1.00 13.44 C ATOM 423 C LYS A 29 14.048 -5.894 0.414 1.00 63.03 C ATOM 424 O LYS A 29 15.018 -6.409 -0.143 1.00 43.23 O ATOM 425 CB LYS A 29 11.971 -6.190 -0.948 1.00 13.43 C ATOM 426 CG LYS A 29 10.479 -6.475 -0.936 1.00 50.33 C ATOM 427 CD LYS A 29 10.190 -7.915 -0.547 1.00 33.22 C ATOM 428 CE LYS A 29 10.817 -8.894 -1.526 1.00 62.01 C ATOM 429 NZ LYS A 29 11.900 -9.695 -0.892 1.00 65.32 N ATOM 0 H LYS A 29 11.501 -5.206 1.451 1.00 12.13 H new ATOM 0 HA LYS A 29 12.812 -7.638 0.399 1.00 13.44 H new ATOM 0 HB2 LYS A 29 12.128 -5.131 -1.151 1.00 13.43 H new ATOM 0 HB3 LYS A 29 12.431 -6.743 -1.767 1.00 13.43 H new ATOM 0 HG2 LYS A 29 9.985 -5.802 -0.236 1.00 50.33 H new ATOM 0 HG3 LYS A 29 10.061 -6.273 -1.922 1.00 50.33 H new ATOM 0 HD2 LYS A 29 10.573 -8.106 0.455 1.00 33.22 H new ATOM 0 HD3 LYS A 29 9.112 -8.074 -0.512 1.00 33.22 H new ATOM 0 HE2 LYS A 29 10.049 -9.564 -1.912 1.00 62.01 H new ATOM 0 HE3 LYS A 29 11.221 -8.347 -2.378 1.00 62.01 H new ATOM 0 HZ1 LYS A 29 11.921 -10.646 -1.313 1.00 65.32 H new ATOM 0 HZ2 LYS A 29 12.815 -9.227 -1.049 1.00 65.32 H new ATOM 0 HZ3 LYS A 29 11.721 -9.773 0.130 1.00 65.32 H new ATOM 443 N ARG A 30 14.123 -4.751 1.088 1.00 55.25 N ATOM 444 CA ARG A 30 15.376 -4.018 1.215 1.00 73.43 C ATOM 445 C ARG A 30 15.202 -2.793 2.106 1.00 50.14 C ATOM 446 O ARG A 30 14.146 -2.592 2.703 1.00 34.14 O ATOM 447 CB ARG A 30 15.884 -3.592 -0.165 1.00 12.24 C ATOM 448 CG ARG A 30 14.853 -2.832 -0.984 1.00 64.33 C ATOM 449 CD ARG A 30 14.771 -3.363 -2.406 1.00 14.11 C ATOM 450 NE ARG A 30 16.092 -3.530 -3.006 1.00 32.33 N ATOM 451 CZ ARG A 30 16.831 -2.520 -3.449 1.00 11.14 C ATOM 452 NH1 ARG A 30 16.381 -1.276 -3.361 1.00 5.14 N ATOM 453 NH2 ARG A 30 18.023 -2.753 -3.982 1.00 45.51 N ATOM 0 H ARG A 30 13.329 -4.312 1.555 1.00 55.25 H new ATOM 0 HA ARG A 30 16.110 -4.679 1.677 1.00 73.43 H new ATOM 0 HB2 ARG A 30 16.769 -2.968 -0.041 1.00 12.24 H new ATOM 0 HB3 ARG A 30 16.194 -4.478 -0.719 1.00 12.24 H new ATOM 0 HG2 ARG A 30 13.876 -2.913 -0.507 1.00 64.33 H new ATOM 0 HG3 ARG A 30 15.111 -1.773 -1.004 1.00 64.33 H new ATOM 0 HD2 ARG A 30 14.250 -4.320 -2.406 1.00 14.11 H new ATOM 0 HD3 ARG A 30 14.180 -2.678 -3.015 1.00 14.11 H new ATOM 0 HE ARG A 30 16.468 -4.475 -3.089 1.00 32.33 H new ATOM 0 HH11 ARG A 30 15.465 -1.093 -2.952 1.00 5.14 H new ATOM 0 HH12 ARG A 30 16.951 -0.502 -3.702 1.00 5.14 H new ATOM 0 HH21 ARG A 30 18.372 -3.709 -4.052 1.00 45.51 H new ATOM 0 HH22 ARG A 30 18.590 -1.976 -4.322 1.00 45.51 H new ATOM 467 N ALA A 31 16.248 -1.977 2.191 1.00 40.55 N ATOM 468 CA ALA A 31 16.210 -0.770 3.008 1.00 12.24 C ATOM 469 C ALA A 31 16.312 0.482 2.144 1.00 44.44 C ATOM 470 O ALA A 31 17.410 0.922 1.799 1.00 71.34 O ATOM 471 CB ALA A 31 17.329 -0.795 4.039 1.00 63.24 C ATOM 0 H ALA A 31 17.131 -2.130 1.704 1.00 40.55 H new ATOM 0 HA ALA A 31 15.252 -0.743 3.528 1.00 12.24 H new ATOM 0 HB1 ALA A 31 17.289 0.112 4.642 1.00 63.24 H new ATOM 0 HB2 ALA A 31 17.210 -1.665 4.684 1.00 63.24 H new ATOM 0 HB3 ALA A 31 18.291 -0.850 3.530 1.00 63.24 H new ATOM 477 N ILE A 32 15.163 1.052 1.797 1.00 33.52 N ATOM 478 CA ILE A 32 15.124 2.253 0.973 1.00 63.33 C ATOM 479 C ILE A 32 14.170 3.289 1.557 1.00 51.43 C ATOM 480 O ILE A 32 12.952 3.178 1.415 1.00 31.05 O ATOM 481 CB ILE A 32 14.694 1.932 -0.471 1.00 4.15 C ATOM 482 CG1 ILE A 32 13.452 1.039 -0.469 1.00 61.15 C ATOM 483 CG2 ILE A 32 15.833 1.263 -1.227 1.00 2.05 C ATOM 484 CD1 ILE A 32 12.387 1.485 -1.447 1.00 12.24 C ATOM 0 H ILE A 32 14.246 0.701 2.074 1.00 33.52 H new ATOM 0 HA ILE A 32 16.135 2.660 0.960 1.00 63.33 H new ATOM 0 HB ILE A 32 14.447 2.865 -0.977 1.00 4.15 H new ATOM 0 HG12 ILE A 32 13.748 0.017 -0.707 1.00 61.15 H new ATOM 0 HG13 ILE A 32 13.028 1.022 0.535 1.00 61.15 H new ATOM 0 HG21 ILE A 32 15.514 1.042 -2.246 1.00 2.05 H new ATOM 0 HG22 ILE A 32 16.694 1.931 -1.253 1.00 2.05 H new ATOM 0 HG23 ILE A 32 16.108 0.336 -0.724 1.00 2.05 H new ATOM 0 HD11 ILE A 32 11.536 0.807 -1.392 1.00 12.24 H new ATOM 0 HD12 ILE A 32 12.063 2.495 -1.196 1.00 12.24 H new ATOM 0 HD13 ILE A 32 12.794 1.475 -2.458 1.00 12.24 H new ATOM 496 N LYS A 33 14.731 4.299 2.212 1.00 4.42 N ATOM 497 CA LYS A 33 13.932 5.359 2.816 1.00 65.31 C ATOM 498 C LYS A 33 13.552 6.411 1.780 1.00 64.44 C ATOM 499 O LYS A 33 14.382 7.224 1.375 1.00 51.30 O ATOM 500 CB LYS A 33 14.702 6.014 3.966 1.00 52.23 C ATOM 501 CG LYS A 33 16.093 6.483 3.576 1.00 42.50 C ATOM 502 CD LYS A 33 16.286 7.961 3.872 1.00 41.55 C ATOM 503 CE LYS A 33 17.682 8.245 4.406 1.00 13.23 C ATOM 504 NZ LYS A 33 17.723 9.501 5.207 1.00 45.15 N ATOM 0 H LYS A 33 15.737 4.406 2.339 1.00 4.42 H new ATOM 0 HA LYS A 33 13.017 4.913 3.207 1.00 65.31 H new ATOM 0 HB2 LYS A 33 14.131 6.865 4.336 1.00 52.23 H new ATOM 0 HB3 LYS A 33 14.784 5.303 4.788 1.00 52.23 H new ATOM 0 HG2 LYS A 33 16.839 5.902 4.118 1.00 42.50 H new ATOM 0 HG3 LYS A 33 16.256 6.299 2.514 1.00 42.50 H new ATOM 0 HD2 LYS A 33 16.118 8.540 2.964 1.00 41.55 H new ATOM 0 HD3 LYS A 33 15.543 8.287 4.600 1.00 41.55 H new ATOM 0 HE2 LYS A 33 18.012 7.409 5.023 1.00 13.23 H new ATOM 0 HE3 LYS A 33 18.381 8.322 3.573 1.00 13.23 H new ATOM 0 HZ1 LYS A 33 18.691 9.660 5.554 1.00 45.15 H new ATOM 0 HZ2 LYS A 33 17.432 10.302 4.611 1.00 45.15 H new ATOM 0 HZ3 LYS A 33 17.075 9.418 6.016 1.00 45.15 H new ATOM 518 N ASN A 34 12.293 6.389 1.356 1.00 54.54 N ATOM 519 CA ASN A 34 11.803 7.343 0.367 1.00 50.32 C ATOM 520 C ASN A 34 10.607 8.121 0.907 1.00 63.40 C ATOM 521 O ASN A 34 9.485 7.616 0.931 1.00 25.41 O ATOM 522 CB ASN A 34 11.413 6.617 -0.922 1.00 14.02 C ATOM 523 CG ASN A 34 12.575 5.858 -1.533 1.00 50.23 C ATOM 524 OD1 ASN A 34 13.632 6.432 -1.802 1.00 20.41 O ATOM 525 ND2 ASN A 34 12.385 4.563 -1.755 1.00 50.45 N ATOM 0 H ASN A 34 11.594 5.722 1.681 1.00 54.54 H new ATOM 0 HA ASN A 34 12.605 8.049 0.151 1.00 50.32 H new ATOM 0 HB2 ASN A 34 10.599 5.923 -0.713 1.00 14.02 H new ATOM 0 HB3 ASN A 34 11.036 7.342 -1.644 1.00 14.02 H new ATOM 0 HD21 ASN A 34 13.131 4.001 -2.164 1.00 50.45 H new ATOM 0 HD22 ASN A 34 11.493 4.130 -1.516 1.00 50.45 H new ATOM 532 N GLU A 35 10.856 9.353 1.339 1.00 14.41 N ATOM 533 CA GLU A 35 9.799 10.201 1.880 1.00 61.24 C ATOM 534 C GLU A 35 8.905 10.733 0.764 1.00 5.40 C ATOM 535 O GLU A 35 7.683 10.773 0.900 1.00 1.41 O ATOM 536 CB GLU A 35 10.402 11.367 2.665 1.00 10.02 C ATOM 537 CG GLU A 35 11.440 12.156 1.884 1.00 74.21 C ATOM 538 CD GLU A 35 10.934 13.520 1.456 1.00 72.32 C ATOM 539 OE1 GLU A 35 11.018 14.465 2.269 1.00 33.30 O ATOM 540 OE2 GLU A 35 10.455 13.643 0.310 1.00 43.22 O ATOM 0 H GLU A 35 11.779 9.786 1.325 1.00 14.41 H new ATOM 0 HA GLU A 35 9.191 9.596 2.552 1.00 61.24 H new ATOM 0 HB2 GLU A 35 9.601 12.040 2.971 1.00 10.02 H new ATOM 0 HB3 GLU A 35 10.861 10.982 3.576 1.00 10.02 H new ATOM 0 HG2 GLU A 35 12.333 12.280 2.496 1.00 74.21 H new ATOM 0 HG3 GLU A 35 11.734 11.588 1.001 1.00 74.21 H new ATOM 547 N GLN A 36 9.525 11.142 -0.339 1.00 34.12 N ATOM 548 CA GLN A 36 8.785 11.673 -1.478 1.00 62.11 C ATOM 549 C GLN A 36 8.027 10.564 -2.200 1.00 72.42 C ATOM 550 O GLN A 36 6.830 10.686 -2.465 1.00 25.32 O ATOM 551 CB GLN A 36 9.737 12.373 -2.449 1.00 43.05 C ATOM 552 CG GLN A 36 9.116 13.568 -3.155 1.00 60.50 C ATOM 553 CD GLN A 36 9.105 13.414 -4.663 1.00 51.35 C ATOM 554 OE1 GLN A 36 10.072 13.762 -5.341 1.00 70.15 O ATOM 555 NE2 GLN A 36 8.008 12.890 -5.197 1.00 71.14 N ATOM 0 H GLN A 36 10.537 11.116 -0.468 1.00 34.12 H new ATOM 0 HA GLN A 36 8.062 12.397 -1.104 1.00 62.11 H new ATOM 0 HB2 GLN A 36 10.621 12.703 -1.903 1.00 43.05 H new ATOM 0 HB3 GLN A 36 10.073 11.654 -3.196 1.00 43.05 H new ATOM 0 HG2 GLN A 36 8.094 13.704 -2.800 1.00 60.50 H new ATOM 0 HG3 GLN A 36 9.669 14.469 -2.890 1.00 60.50 H new ATOM 0 HE21 GLN A 36 7.230 12.615 -4.597 1.00 71.14 H new ATOM 0 HE22 GLN A 36 7.943 12.762 -6.207 1.00 71.14 H new ATOM 564 N LEU A 37 8.731 9.483 -2.518 1.00 4.34 N ATOM 565 CA LEU A 37 8.125 8.351 -3.211 1.00 14.10 C ATOM 566 C LEU A 37 6.991 7.752 -2.386 1.00 14.21 C ATOM 567 O LEU A 37 5.958 7.352 -2.927 1.00 64.42 O ATOM 568 CB LEU A 37 9.179 7.282 -3.501 1.00 62.45 C ATOM 569 CG LEU A 37 10.486 7.778 -4.121 1.00 35.22 C ATOM 570 CD1 LEU A 37 11.413 6.610 -4.417 1.00 43.43 C ATOM 571 CD2 LEU A 37 10.206 8.575 -5.387 1.00 64.43 C ATOM 0 H LEU A 37 9.722 9.366 -2.307 1.00 4.34 H new ATOM 0 HA LEU A 37 7.713 8.712 -4.154 1.00 14.10 H new ATOM 0 HB2 LEU A 37 9.414 6.770 -2.568 1.00 62.45 H new ATOM 0 HB3 LEU A 37 8.741 6.541 -4.170 1.00 62.45 H new ATOM 0 HG LEU A 37 10.981 8.434 -3.405 1.00 35.22 H new ATOM 0 HD11 LEU A 37 12.338 6.982 -4.858 1.00 43.43 H new ATOM 0 HD12 LEU A 37 11.639 6.081 -3.491 1.00 43.43 H new ATOM 0 HD13 LEU A 37 10.927 5.928 -5.115 1.00 43.43 H new ATOM 0 HD21 LEU A 37 11.147 8.920 -5.815 1.00 64.43 H new ATOM 0 HD22 LEU A 37 9.690 7.942 -6.109 1.00 64.43 H new ATOM 0 HD23 LEU A 37 9.580 9.434 -5.145 1.00 64.43 H new ATOM 583 N LEU A 38 7.187 7.695 -1.073 1.00 51.40 N ATOM 584 CA LEU A 38 6.179 7.148 -0.172 1.00 75.32 C ATOM 585 C LEU A 38 4.896 7.971 -0.224 1.00 43.41 C ATOM 586 O LEU A 38 3.800 7.424 -0.339 1.00 71.33 O ATOM 587 CB LEU A 38 6.715 7.107 1.260 1.00 41.50 C ATOM 588 CG LEU A 38 5.708 6.715 2.343 1.00 45.04 C ATOM 589 CD1 LEU A 38 4.893 7.924 2.777 1.00 45.34 C ATOM 590 CD2 LEU A 38 4.795 5.605 1.846 1.00 70.44 C ATOM 0 H LEU A 38 8.035 8.021 -0.609 1.00 51.40 H new ATOM 0 HA LEU A 38 5.950 6.133 -0.497 1.00 75.32 H new ATOM 0 HB2 LEU A 38 7.548 6.405 1.295 1.00 41.50 H new ATOM 0 HB3 LEU A 38 7.117 8.090 1.505 1.00 41.50 H new ATOM 0 HG LEU A 38 6.259 6.345 3.207 1.00 45.04 H new ATOM 0 HD11 LEU A 38 4.182 7.626 3.548 1.00 45.34 H new ATOM 0 HD12 LEU A 38 5.560 8.689 3.175 1.00 45.34 H new ATOM 0 HD13 LEU A 38 4.352 8.325 1.920 1.00 45.34 H new ATOM 0 HD21 LEU A 38 4.085 5.339 2.630 1.00 70.44 H new ATOM 0 HD22 LEU A 38 4.252 5.948 0.965 1.00 70.44 H new ATOM 0 HD23 LEU A 38 5.393 4.731 1.586 1.00 70.44 H new ATOM 602 N GLN A 39 5.042 9.290 -0.139 1.00 43.14 N ATOM 603 CA GLN A 39 3.895 10.190 -0.178 1.00 31.44 C ATOM 604 C GLN A 39 3.174 10.096 -1.519 1.00 62.52 C ATOM 605 O GLN A 39 1.960 9.898 -1.571 1.00 40.32 O ATOM 606 CB GLN A 39 4.341 11.630 0.075 1.00 53.32 C ATOM 607 CG GLN A 39 3.583 12.313 1.203 1.00 64.04 C ATOM 608 CD GLN A 39 2.659 13.407 0.705 1.00 10.13 C ATOM 609 OE1 GLN A 39 2.200 13.377 -0.437 1.00 30.32 O ATOM 610 NE2 GLN A 39 2.379 14.381 1.564 1.00 54.00 N ATOM 0 H GLN A 39 5.943 9.759 -0.043 1.00 43.14 H new ATOM 0 HA GLN A 39 3.202 9.889 0.608 1.00 31.44 H new ATOM 0 HB2 GLN A 39 5.406 11.636 0.308 1.00 53.32 H new ATOM 0 HB3 GLN A 39 4.212 12.208 -0.840 1.00 53.32 H new ATOM 0 HG2 GLN A 39 3.000 11.569 1.747 1.00 64.04 H new ATOM 0 HG3 GLN A 39 4.296 12.738 1.910 1.00 64.04 H new ATOM 0 HE21 GLN A 39 2.782 14.366 2.501 1.00 54.00 H new ATOM 0 HE22 GLN A 39 1.761 15.144 1.286 1.00 54.00 H new ATOM 619 N LEU A 40 3.931 10.238 -2.602 1.00 41.23 N ATOM 620 CA LEU A 40 3.364 10.169 -3.945 1.00 43.40 C ATOM 621 C LEU A 40 2.729 8.807 -4.199 1.00 74.32 C ATOM 622 O LEU A 40 1.574 8.718 -4.615 1.00 33.43 O ATOM 623 CB LEU A 40 4.447 10.443 -4.991 1.00 10.14 C ATOM 624 CG LEU A 40 4.023 11.292 -6.189 1.00 65.14 C ATOM 625 CD1 LEU A 40 5.160 11.405 -7.192 1.00 64.23 C ATOM 626 CD2 LEU A 40 2.784 10.704 -6.848 1.00 72.45 C ATOM 0 H LEU A 40 4.938 10.401 -2.577 1.00 41.23 H new ATOM 0 HA LEU A 40 2.588 10.931 -4.025 1.00 43.40 H new ATOM 0 HB2 LEU A 40 5.283 10.938 -4.498 1.00 10.14 H new ATOM 0 HB3 LEU A 40 4.817 9.487 -5.361 1.00 10.14 H new ATOM 0 HG LEU A 40 3.780 12.293 -5.833 1.00 65.14 H new ATOM 0 HD11 LEU A 40 4.840 12.013 -8.038 1.00 64.23 H new ATOM 0 HD12 LEU A 40 6.021 11.873 -6.715 1.00 64.23 H new ATOM 0 HD13 LEU A 40 5.435 10.411 -7.543 1.00 64.23 H new ATOM 0 HD21 LEU A 40 2.497 11.322 -7.699 1.00 72.45 H new ATOM 0 HD22 LEU A 40 3.000 9.692 -7.191 1.00 72.45 H new ATOM 0 HD23 LEU A 40 1.967 10.677 -6.127 1.00 72.45 H new ATOM 638 N ILE A 41 3.490 7.747 -3.944 1.00 53.41 N ATOM 639 CA ILE A 41 2.999 6.390 -4.142 1.00 60.40 C ATOM 640 C ILE A 41 1.801 6.102 -3.243 1.00 70.23 C ATOM 641 O ILE A 41 0.903 5.343 -3.611 1.00 60.42 O ATOM 642 CB ILE A 41 4.098 5.347 -3.862 1.00 72.24 C ATOM 643 CG1 ILE A 41 5.190 5.425 -4.932 1.00 1.41 C ATOM 644 CG2 ILE A 41 3.501 3.949 -3.809 1.00 1.45 C ATOM 645 CD1 ILE A 41 4.708 5.049 -6.316 1.00 1.25 C ATOM 0 H ILE A 41 4.449 7.803 -3.600 1.00 53.41 H new ATOM 0 HA ILE A 41 2.694 6.314 -5.186 1.00 60.40 H new ATOM 0 HB ILE A 41 4.547 5.566 -2.893 1.00 72.24 H new ATOM 0 HG12 ILE A 41 5.590 6.439 -4.958 1.00 1.41 H new ATOM 0 HG13 ILE A 41 6.011 4.766 -4.650 1.00 1.41 H new ATOM 0 HG21 ILE A 41 4.290 3.224 -3.610 1.00 1.45 H new ATOM 0 HG22 ILE A 41 2.756 3.901 -3.015 1.00 1.45 H new ATOM 0 HG23 ILE A 41 3.028 3.719 -4.764 1.00 1.45 H new ATOM 0 HD11 ILE A 41 5.534 5.127 -7.023 1.00 1.25 H new ATOM 0 HD12 ILE A 41 4.335 4.025 -6.306 1.00 1.25 H new ATOM 0 HD13 ILE A 41 3.907 5.724 -6.618 1.00 1.25 H new ATOM 657 N PHE A 42 1.791 6.714 -2.064 1.00 25.41 N ATOM 658 CA PHE A 42 0.703 6.524 -1.113 1.00 32.15 C ATOM 659 C PHE A 42 -0.625 6.980 -1.709 1.00 72.10 C ATOM 660 O PHE A 42 -1.612 6.243 -1.694 1.00 51.22 O ATOM 661 CB PHE A 42 0.987 7.294 0.179 1.00 72.34 C ATOM 662 CG PHE A 42 -0.190 7.354 1.111 1.00 64.50 C ATOM 663 CD1 PHE A 42 -0.854 6.196 1.485 1.00 0.40 C ATOM 664 CD2 PHE A 42 -0.631 8.566 1.614 1.00 1.53 C ATOM 665 CE1 PHE A 42 -1.937 6.248 2.343 1.00 72.21 C ATOM 666 CE2 PHE A 42 -1.712 8.625 2.472 1.00 20.22 C ATOM 667 CZ PHE A 42 -2.367 7.464 2.836 1.00 0.13 C ATOM 0 H PHE A 42 2.525 7.346 -1.744 1.00 25.41 H new ATOM 0 HA PHE A 42 0.633 5.460 -0.886 1.00 32.15 H new ATOM 0 HB2 PHE A 42 1.826 6.826 0.695 1.00 72.34 H new ATOM 0 HB3 PHE A 42 1.294 8.309 -0.072 1.00 72.34 H new ATOM 0 HD1 PHE A 42 -0.522 5.243 1.102 1.00 0.40 H new ATOM 0 HD2 PHE A 42 -0.124 9.477 1.332 1.00 1.53 H new ATOM 0 HE1 PHE A 42 -2.446 5.339 2.627 1.00 72.21 H new ATOM 0 HE2 PHE A 42 -2.045 9.577 2.858 1.00 20.22 H new ATOM 0 HZ PHE A 42 -3.214 7.508 3.505 1.00 0.13 H new ATOM 677 N LYS A 43 -0.644 8.201 -2.233 1.00 22.22 N ATOM 678 CA LYS A 43 -1.849 8.757 -2.835 1.00 13.23 C ATOM 679 C LYS A 43 -2.150 8.086 -4.171 1.00 42.12 C ATOM 680 O LYS A 43 -3.309 7.960 -4.566 1.00 73.12 O ATOM 681 CB LYS A 43 -1.695 10.267 -3.033 1.00 41.42 C ATOM 682 CG LYS A 43 -2.919 11.064 -2.616 1.00 72.02 C ATOM 683 CD LYS A 43 -2.830 12.508 -3.083 1.00 32.21 C ATOM 684 CE LYS A 43 -4.210 13.119 -3.267 1.00 54.44 C ATOM 685 NZ LYS A 43 -4.970 12.455 -4.363 1.00 61.13 N ATOM 0 H LYS A 43 0.163 8.825 -2.253 1.00 22.22 H new ATOM 0 HA LYS A 43 -2.683 8.569 -2.159 1.00 13.23 H new ATOM 0 HB2 LYS A 43 -0.834 10.614 -2.461 1.00 41.42 H new ATOM 0 HB3 LYS A 43 -1.482 10.467 -4.083 1.00 41.42 H new ATOM 0 HG2 LYS A 43 -3.814 10.601 -3.031 1.00 72.02 H new ATOM 0 HG3 LYS A 43 -3.020 11.037 -1.531 1.00 72.02 H new ATOM 0 HD2 LYS A 43 -2.266 13.093 -2.356 1.00 32.21 H new ATOM 0 HD3 LYS A 43 -2.282 12.554 -4.024 1.00 32.21 H new ATOM 0 HE2 LYS A 43 -4.770 13.037 -2.336 1.00 54.44 H new ATOM 0 HE3 LYS A 43 -4.110 14.182 -3.487 1.00 54.44 H new ATOM 0 HZ1 LYS A 43 -5.655 13.126 -4.766 1.00 61.13 H new ATOM 0 HZ2 LYS A 43 -4.310 12.145 -5.105 1.00 61.13 H new ATOM 0 HZ3 LYS A 43 -5.476 11.630 -3.984 1.00 61.13 H new ATOM 699 N SER A 44 -1.099 7.657 -4.862 1.00 1.43 N ATOM 700 CA SER A 44 -1.251 7.001 -6.156 1.00 2.22 C ATOM 701 C SER A 44 -1.889 5.625 -5.995 1.00 33.33 C ATOM 702 O SER A 44 -2.862 5.297 -6.676 1.00 23.24 O ATOM 703 CB SER A 44 0.108 6.867 -6.846 1.00 21.04 C ATOM 704 OG SER A 44 0.454 8.061 -7.527 1.00 60.53 O ATOM 0 H SER A 44 -0.133 7.752 -4.548 1.00 1.43 H new ATOM 0 HA SER A 44 -1.905 7.616 -6.773 1.00 2.22 H new ATOM 0 HB2 SER A 44 0.873 6.632 -6.106 1.00 21.04 H new ATOM 0 HB3 SER A 44 0.081 6.037 -7.552 1.00 21.04 H new ATOM 0 HG SER A 44 0.903 8.673 -6.907 1.00 60.53 H new ATOM 710 N ILE A 45 -1.336 4.824 -5.090 1.00 10.31 N ATOM 711 CA ILE A 45 -1.852 3.484 -4.838 1.00 50.22 C ATOM 712 C ILE A 45 -3.250 3.539 -4.230 1.00 70.45 C ATOM 713 O ILE A 45 -4.080 2.663 -4.476 1.00 44.11 O ATOM 714 CB ILE A 45 -0.926 2.691 -3.898 1.00 5.44 C ATOM 715 CG1 ILE A 45 0.423 2.434 -4.573 1.00 12.34 C ATOM 716 CG2 ILE A 45 -1.581 1.380 -3.492 1.00 63.12 C ATOM 717 CD1 ILE A 45 1.371 1.608 -3.732 1.00 43.11 C ATOM 0 H ILE A 45 -0.530 5.080 -4.519 1.00 10.31 H new ATOM 0 HA ILE A 45 -1.897 2.977 -5.802 1.00 50.22 H new ATOM 0 HB ILE A 45 -0.753 3.281 -2.998 1.00 5.44 H new ATOM 0 HG12 ILE A 45 0.254 1.925 -5.522 1.00 12.34 H new ATOM 0 HG13 ILE A 45 0.893 3.390 -4.803 1.00 12.34 H new ATOM 0 HG21 ILE A 45 -0.914 0.831 -2.827 1.00 63.12 H new ATOM 0 HG22 ILE A 45 -2.519 1.586 -2.976 1.00 63.12 H new ATOM 0 HG23 ILE A 45 -1.780 0.782 -4.381 1.00 63.12 H new ATOM 0 HD11 ILE A 45 2.307 1.465 -4.273 1.00 43.11 H new ATOM 0 HD12 ILE A 45 1.569 2.125 -2.793 1.00 43.11 H new ATOM 0 HD13 ILE A 45 0.921 0.637 -3.523 1.00 43.11 H new ATOM 729 N ASP A 46 -3.504 4.574 -3.438 1.00 60.40 N ATOM 730 CA ASP A 46 -4.803 4.745 -2.796 1.00 64.42 C ATOM 731 C ASP A 46 -5.787 5.432 -3.737 1.00 64.14 C ATOM 732 O ASP A 46 -5.551 6.553 -4.187 1.00 1.55 O ATOM 733 CB ASP A 46 -4.656 5.557 -1.509 1.00 10.34 C ATOM 734 CG ASP A 46 -5.684 5.174 -0.462 1.00 60.21 C ATOM 735 OD1 ASP A 46 -6.745 4.633 -0.842 1.00 5.01 O ATOM 736 OD2 ASP A 46 -5.428 5.414 0.736 1.00 73.33 O ATOM 0 H ASP A 46 -2.828 5.308 -3.225 1.00 60.40 H new ATOM 0 HA ASP A 46 -5.193 3.757 -2.550 1.00 64.42 H new ATOM 0 HB2 ASP A 46 -3.655 5.410 -1.102 1.00 10.34 H new ATOM 0 HB3 ASP A 46 -4.754 6.618 -1.739 1.00 10.34 H new ATOM 741 N ALA A 47 -6.890 4.752 -4.032 1.00 43.22 N ATOM 742 CA ALA A 47 -7.911 5.297 -4.918 1.00 42.22 C ATOM 743 C ALA A 47 -8.563 6.534 -4.309 1.00 23.12 C ATOM 744 O ALA A 47 -8.826 7.515 -5.004 1.00 53.25 O ATOM 745 CB ALA A 47 -8.961 4.241 -5.227 1.00 14.15 C ATOM 0 H ALA A 47 -7.099 3.822 -3.670 1.00 43.22 H new ATOM 0 HA ALA A 47 -7.428 5.595 -5.849 1.00 42.22 H new ATOM 0 HB1 ALA A 47 -9.717 4.662 -5.890 1.00 14.15 H new ATOM 0 HB2 ALA A 47 -8.487 3.388 -5.713 1.00 14.15 H new ATOM 0 HB3 ALA A 47 -9.432 3.915 -4.300 1.00 14.15 H new ATOM 751 N ASP A 48 -8.822 6.479 -3.007 1.00 30.23 N ATOM 752 CA ASP A 48 -9.444 7.595 -2.304 1.00 14.12 C ATOM 753 C ASP A 48 -8.440 8.287 -1.387 1.00 52.22 C ATOM 754 O ASP A 48 -8.669 9.407 -0.933 1.00 51.30 O ATOM 755 CB ASP A 48 -10.644 7.107 -1.491 1.00 15.44 C ATOM 756 CG ASP A 48 -10.271 6.018 -0.504 1.00 13.20 C ATOM 757 OD1 ASP A 48 -9.078 5.660 -0.440 1.00 64.11 O ATOM 758 OD2 ASP A 48 -11.174 5.526 0.204 1.00 32.41 O ATOM 0 H ASP A 48 -8.611 5.674 -2.417 1.00 30.23 H new ATOM 0 HA ASP A 48 -9.787 8.315 -3.047 1.00 14.12 H new ATOM 0 HB2 ASP A 48 -11.080 7.948 -0.952 1.00 15.44 H new ATOM 0 HB3 ASP A 48 -11.410 6.732 -2.169 1.00 15.44 H new ATOM 763 N GLY A 49 -7.328 7.611 -1.119 1.00 25.23 N ATOM 764 CA GLY A 49 -6.306 8.175 -0.256 1.00 43.24 C ATOM 765 C GLY A 49 -6.832 8.506 1.126 1.00 64.41 C ATOM 766 O GLY A 49 -6.389 9.469 1.752 1.00 33.13 O ATOM 0 H GLY A 49 -7.116 6.682 -1.484 1.00 25.23 H new ATOM 0 HA2 GLY A 49 -5.480 7.470 -0.168 1.00 43.24 H new ATOM 0 HA3 GLY A 49 -5.906 9.079 -0.715 1.00 43.24 H new ATOM 770 N ASN A 50 -7.781 7.706 1.603 1.00 5.23 N ATOM 771 CA ASN A 50 -8.369 7.920 2.920 1.00 0.32 C ATOM 772 C ASN A 50 -7.532 7.250 4.006 1.00 13.51 C ATOM 773 O ASN A 50 -7.864 6.165 4.479 1.00 33.03 O ATOM 774 CB ASN A 50 -9.799 7.380 2.957 1.00 73.41 C ATOM 775 CG ASN A 50 -9.865 5.898 2.637 1.00 55.13 C ATOM 776 OD1 ASN A 50 -8.912 5.322 2.112 1.00 23.05 O ATOM 777 ND2 ASN A 50 -10.995 5.275 2.951 1.00 34.42 N ATOM 0 H ASN A 50 -8.159 6.905 1.097 1.00 5.23 H new ATOM 0 HA ASN A 50 -8.388 8.993 3.111 1.00 0.32 H new ATOM 0 HB2 ASN A 50 -10.225 7.555 3.945 1.00 73.41 H new ATOM 0 HB3 ASN A 50 -10.411 7.931 2.243 1.00 73.41 H new ATOM 0 HD21 ASN A 50 -11.099 4.279 2.758 1.00 34.42 H new ATOM 0 HD22 ASN A 50 -11.759 5.793 3.385 1.00 34.42 H new ATOM 784 N GLY A 51 -6.444 7.907 4.396 1.00 31.43 N ATOM 785 CA GLY A 51 -5.577 7.361 5.423 1.00 25.42 C ATOM 786 C GLY A 51 -4.834 6.123 4.957 1.00 13.14 C ATOM 787 O GLY A 51 -3.632 5.992 5.181 1.00 5.02 O ATOM 0 H GLY A 51 -6.148 8.807 4.019 1.00 31.43 H new ATOM 0 HA2 GLY A 51 -4.857 8.120 5.727 1.00 25.42 H new ATOM 0 HA3 GLY A 51 -6.171 7.115 6.303 1.00 25.42 H new ATOM 791 N GLU A 52 -5.554 5.212 4.310 1.00 43.35 N ATOM 792 CA GLU A 52 -4.956 3.979 3.813 1.00 5.24 C ATOM 793 C GLU A 52 -5.712 3.459 2.595 1.00 52.01 C ATOM 794 O GLU A 52 -6.827 3.898 2.308 1.00 3.14 O ATOM 795 CB GLU A 52 -4.944 2.915 4.913 1.00 72.32 C ATOM 796 CG GLU A 52 -6.248 2.823 5.686 1.00 11.34 C ATOM 797 CD GLU A 52 -7.460 2.735 4.779 1.00 74.52 C ATOM 798 OE1 GLU A 52 -7.515 1.801 3.951 1.00 14.40 O ATOM 799 OE2 GLU A 52 -8.353 3.599 4.896 1.00 31.01 O ATOM 0 H GLU A 52 -6.551 5.305 4.118 1.00 43.35 H new ATOM 0 HA GLU A 52 -3.930 4.196 3.515 1.00 5.24 H new ATOM 0 HB2 GLU A 52 -4.728 1.945 4.466 1.00 72.32 H new ATOM 0 HB3 GLU A 52 -4.134 3.133 5.609 1.00 72.32 H new ATOM 0 HG2 GLU A 52 -6.220 1.947 6.335 1.00 11.34 H new ATOM 0 HG3 GLU A 52 -6.345 3.695 6.332 1.00 11.34 H new ATOM 806 N ILE A 53 -5.099 2.522 1.881 1.00 73.45 N ATOM 807 CA ILE A 53 -5.714 1.941 0.693 1.00 51.43 C ATOM 808 C ILE A 53 -6.474 0.664 1.036 1.00 62.52 C ATOM 809 O ILE A 53 -5.907 -0.277 1.593 1.00 71.14 O ATOM 810 CB ILE A 53 -4.664 1.626 -0.388 1.00 60.34 C ATOM 811 CG1 ILE A 53 -3.622 2.744 -0.459 1.00 63.24 C ATOM 812 CG2 ILE A 53 -5.336 1.435 -1.740 1.00 64.31 C ATOM 813 CD1 ILE A 53 -2.275 2.352 0.108 1.00 50.52 C ATOM 0 H ILE A 53 -4.177 2.148 2.104 1.00 73.45 H new ATOM 0 HA ILE A 53 -6.412 2.683 0.304 1.00 51.43 H new ATOM 0 HB ILE A 53 -4.157 0.699 -0.122 1.00 60.34 H new ATOM 0 HG12 ILE A 53 -3.495 3.046 -1.499 1.00 63.24 H new ATOM 0 HG13 ILE A 53 -3.996 3.613 0.082 1.00 63.24 H new ATOM 0 HG21 ILE A 53 -4.581 1.213 -2.494 1.00 64.31 H new ATOM 0 HG22 ILE A 53 -6.044 0.608 -1.681 1.00 64.31 H new ATOM 0 HG23 ILE A 53 -5.866 2.347 -2.015 1.00 64.31 H new ATOM 0 HD11 ILE A 53 -1.586 3.193 0.024 1.00 50.52 H new ATOM 0 HD12 ILE A 53 -2.388 2.078 1.157 1.00 50.52 H new ATOM 0 HD13 ILE A 53 -1.879 1.502 -0.448 1.00 50.52 H new ATOM 825 N ASP A 54 -7.757 0.637 0.698 1.00 33.04 N ATOM 826 CA ASP A 54 -8.596 -0.526 0.967 1.00 44.11 C ATOM 827 C ASP A 54 -8.312 -1.643 -0.032 1.00 44.00 C ATOM 828 O ASP A 54 -7.778 -1.399 -1.114 1.00 42.32 O ATOM 829 CB ASP A 54 -10.074 -0.140 0.913 1.00 31.34 C ATOM 830 CG ASP A 54 -10.347 1.203 1.563 1.00 45.04 C ATOM 831 OD1 ASP A 54 -9.596 1.577 2.489 1.00 72.55 O ATOM 832 OD2 ASP A 54 -11.309 1.880 1.144 1.00 63.03 O ATOM 0 H ASP A 54 -8.241 1.408 0.237 1.00 33.04 H new ATOM 0 HA ASP A 54 -8.361 -0.889 1.968 1.00 44.11 H new ATOM 0 HB2 ASP A 54 -10.401 -0.110 -0.126 1.00 31.34 H new ATOM 0 HB3 ASP A 54 -10.665 -0.908 1.411 1.00 31.34 H new ATOM 837 N GLN A 55 -8.670 -2.868 0.339 1.00 54.23 N ATOM 838 CA GLN A 55 -8.453 -4.022 -0.525 1.00 5.31 C ATOM 839 C GLN A 55 -9.065 -3.794 -1.904 1.00 2.33 C ATOM 840 O GLN A 55 -8.446 -4.090 -2.924 1.00 72.31 O ATOM 841 CB GLN A 55 -9.048 -5.280 0.109 1.00 13.04 C ATOM 842 CG GLN A 55 -10.523 -5.149 0.451 1.00 75.12 C ATOM 843 CD GLN A 55 -11.425 -5.739 -0.616 1.00 44.14 C ATOM 844 OE1 GLN A 55 -11.163 -6.824 -1.136 1.00 42.21 O ATOM 845 NE2 GLN A 55 -12.493 -5.025 -0.949 1.00 31.12 N ATOM 0 H GLN A 55 -9.112 -3.087 1.232 1.00 54.23 H new ATOM 0 HA GLN A 55 -7.378 -4.158 -0.643 1.00 5.31 H new ATOM 0 HB2 GLN A 55 -8.915 -6.119 -0.574 1.00 13.04 H new ATOM 0 HB3 GLN A 55 -8.493 -5.517 1.017 1.00 13.04 H new ATOM 0 HG2 GLN A 55 -10.717 -5.647 1.401 1.00 75.12 H new ATOM 0 HG3 GLN A 55 -10.768 -4.096 0.587 1.00 75.12 H new ATOM 0 HE21 GLN A 55 -12.671 -4.131 -0.492 1.00 31.12 H new ATOM 0 HE22 GLN A 55 -13.135 -5.371 -1.662 1.00 31.12 H new ATOM 854 N ASN A 56 -10.284 -3.266 -1.923 1.00 13.30 N ATOM 855 CA ASN A 56 -10.981 -3.000 -3.176 1.00 11.50 C ATOM 856 C ASN A 56 -10.172 -2.054 -4.059 1.00 1.11 C ATOM 857 O ASN A 56 -9.951 -2.328 -5.238 1.00 52.21 O ATOM 858 CB ASN A 56 -12.361 -2.399 -2.899 1.00 73.22 C ATOM 859 CG ASN A 56 -13.459 -3.079 -3.696 1.00 24.11 C ATOM 860 OD1 ASN A 56 -13.725 -4.269 -3.517 1.00 44.32 O ATOM 861 ND2 ASN A 56 -14.101 -2.326 -4.580 1.00 50.03 N ATOM 0 H ASN A 56 -10.809 -3.014 -1.086 1.00 13.30 H new ATOM 0 HA ASN A 56 -11.102 -3.947 -3.702 1.00 11.50 H new ATOM 0 HB2 ASN A 56 -12.583 -2.482 -1.835 1.00 73.22 H new ATOM 0 HB3 ASN A 56 -12.346 -1.336 -3.140 1.00 73.22 H new ATOM 0 HD21 ASN A 56 -14.849 -2.728 -5.145 1.00 50.03 H new ATOM 0 HD22 ASN A 56 -13.847 -1.345 -4.694 1.00 50.03 H new ATOM 868 N GLU A 57 -9.732 -0.942 -3.478 1.00 24.12 N ATOM 869 CA GLU A 57 -8.946 0.043 -4.212 1.00 55.20 C ATOM 870 C GLU A 57 -7.652 -0.573 -4.734 1.00 72.35 C ATOM 871 O GLU A 57 -7.264 -0.349 -5.882 1.00 3.23 O ATOM 872 CB GLU A 57 -8.629 1.243 -3.318 1.00 63.31 C ATOM 873 CG GLU A 57 -9.858 1.874 -2.685 1.00 44.55 C ATOM 874 CD GLU A 57 -9.531 2.658 -1.429 1.00 23.51 C ATOM 875 OE1 GLU A 57 -8.350 2.659 -1.020 1.00 33.43 O ATOM 876 OE2 GLU A 57 -10.455 3.271 -0.855 1.00 20.21 O ATOM 0 H GLU A 57 -9.906 -0.701 -2.502 1.00 24.12 H new ATOM 0 HA GLU A 57 -9.536 0.380 -5.064 1.00 55.20 H new ATOM 0 HB2 GLU A 57 -7.946 0.927 -2.529 1.00 63.31 H new ATOM 0 HB3 GLU A 57 -8.107 1.997 -3.908 1.00 63.31 H new ATOM 0 HG2 GLU A 57 -10.335 2.536 -3.408 1.00 44.55 H new ATOM 0 HG3 GLU A 57 -10.579 1.093 -2.444 1.00 44.55 H new ATOM 883 N PHE A 58 -6.989 -1.350 -3.886 1.00 24.34 N ATOM 884 CA PHE A 58 -5.737 -1.998 -4.261 1.00 1.21 C ATOM 885 C PHE A 58 -5.962 -3.010 -5.380 1.00 11.02 C ATOM 886 O PHE A 58 -5.162 -3.111 -6.310 1.00 32.05 O ATOM 887 CB PHE A 58 -5.114 -2.692 -3.047 1.00 64.33 C ATOM 888 CG PHE A 58 -3.652 -2.993 -3.215 1.00 12.44 C ATOM 889 CD1 PHE A 58 -3.238 -4.155 -3.845 1.00 63.12 C ATOM 890 CD2 PHE A 58 -2.692 -2.114 -2.739 1.00 31.32 C ATOM 891 CE1 PHE A 58 -1.893 -4.435 -4.001 1.00 73.01 C ATOM 892 CE2 PHE A 58 -1.346 -2.389 -2.892 1.00 11.12 C ATOM 893 CZ PHE A 58 -0.945 -3.550 -3.522 1.00 74.20 C ATOM 0 H PHE A 58 -7.297 -1.547 -2.934 1.00 24.34 H new ATOM 0 HA PHE A 58 -5.053 -1.230 -4.622 1.00 1.21 H new ATOM 0 HB2 PHE A 58 -5.248 -2.061 -2.169 1.00 64.33 H new ATOM 0 HB3 PHE A 58 -5.649 -3.622 -2.856 1.00 64.33 H new ATOM 0 HD1 PHE A 58 -3.975 -4.851 -4.219 1.00 63.12 H new ATOM 0 HD2 PHE A 58 -2.999 -1.205 -2.243 1.00 31.32 H new ATOM 0 HE1 PHE A 58 -1.584 -5.344 -4.496 1.00 73.01 H new ATOM 0 HE2 PHE A 58 -0.608 -1.695 -2.518 1.00 11.12 H new ATOM 0 HZ PHE A 58 0.106 -3.766 -3.640 1.00 74.20 H new ATOM 903 N ALA A 59 -7.056 -3.757 -5.283 1.00 10.03 N ATOM 904 CA ALA A 59 -7.388 -4.760 -6.287 1.00 53.13 C ATOM 905 C ALA A 59 -7.566 -4.123 -7.661 1.00 50.41 C ATOM 906 O ALA A 59 -6.961 -4.558 -8.642 1.00 13.42 O ATOM 907 CB ALA A 59 -8.648 -5.512 -5.885 1.00 12.54 C ATOM 0 H ALA A 59 -7.728 -3.687 -4.519 1.00 10.03 H new ATOM 0 HA ALA A 59 -6.560 -5.466 -6.347 1.00 53.13 H new ATOM 0 HB1 ALA A 59 -8.884 -6.258 -6.644 1.00 12.54 H new ATOM 0 HB2 ALA A 59 -8.486 -6.007 -4.927 1.00 12.54 H new ATOM 0 HB3 ALA A 59 -9.477 -4.810 -5.795 1.00 12.54 H new ATOM 913 N LYS A 60 -8.400 -3.091 -7.726 1.00 5.30 N ATOM 914 CA LYS A 60 -8.657 -2.392 -8.981 1.00 23.23 C ATOM 915 C LYS A 60 -7.407 -1.664 -9.465 1.00 11.02 C ATOM 916 O LYS A 60 -7.247 -1.413 -10.659 1.00 5.30 O ATOM 917 CB LYS A 60 -9.806 -1.395 -8.807 1.00 24.25 C ATOM 918 CG LYS A 60 -11.151 -1.933 -9.262 1.00 15.23 C ATOM 919 CD LYS A 60 -11.534 -3.193 -8.504 1.00 0.12 C ATOM 920 CE LYS A 60 -13.034 -3.265 -8.263 1.00 31.31 C ATOM 921 NZ LYS A 60 -13.566 -4.638 -8.486 1.00 51.01 N ATOM 0 H LYS A 60 -8.910 -2.719 -6.925 1.00 5.30 H new ATOM 0 HA LYS A 60 -8.937 -3.133 -9.730 1.00 23.23 H new ATOM 0 HB2 LYS A 60 -9.874 -1.111 -7.757 1.00 24.25 H new ATOM 0 HB3 LYS A 60 -9.578 -0.489 -9.368 1.00 24.25 H new ATOM 0 HG2 LYS A 60 -11.917 -1.172 -9.114 1.00 15.23 H new ATOM 0 HG3 LYS A 60 -11.116 -2.147 -10.330 1.00 15.23 H new ATOM 0 HD2 LYS A 60 -11.213 -4.069 -9.067 1.00 0.12 H new ATOM 0 HD3 LYS A 60 -11.009 -3.218 -7.549 1.00 0.12 H new ATOM 0 HE2 LYS A 60 -13.253 -2.952 -7.242 1.00 31.31 H new ATOM 0 HE3 LYS A 60 -13.543 -2.566 -8.927 1.00 31.31 H new ATOM 0 HZ1 LYS A 60 -14.591 -4.646 -8.312 1.00 51.01 H new ATOM 0 HZ2 LYS A 60 -13.379 -4.927 -9.467 1.00 51.01 H new ATOM 0 HZ3 LYS A 60 -13.099 -5.301 -7.835 1.00 51.01 H new ATOM 935 N PHE A 61 -6.523 -1.329 -8.530 1.00 15.01 N ATOM 936 CA PHE A 61 -5.288 -0.630 -8.861 1.00 72.34 C ATOM 937 C PHE A 61 -4.238 -1.604 -9.389 1.00 25.30 C ATOM 938 O PHE A 61 -3.420 -1.252 -10.240 1.00 3.41 O ATOM 939 CB PHE A 61 -4.747 0.104 -7.634 1.00 1.32 C ATOM 940 CG PHE A 61 -3.267 0.358 -7.690 1.00 1.43 C ATOM 941 CD1 PHE A 61 -2.716 1.090 -8.729 1.00 65.01 C ATOM 942 CD2 PHE A 61 -2.428 -0.136 -6.704 1.00 31.11 C ATOM 943 CE1 PHE A 61 -1.355 1.325 -8.784 1.00 22.12 C ATOM 944 CE2 PHE A 61 -1.067 0.096 -6.753 1.00 53.10 C ATOM 945 CZ PHE A 61 -0.529 0.827 -7.795 1.00 72.34 C ATOM 0 H PHE A 61 -6.640 -1.531 -7.537 1.00 15.01 H new ATOM 0 HA PHE A 61 -5.510 0.098 -9.642 1.00 72.34 H new ATOM 0 HB2 PHE A 61 -5.267 1.056 -7.532 1.00 1.32 H new ATOM 0 HB3 PHE A 61 -4.974 -0.480 -6.742 1.00 1.32 H new ATOM 0 HD1 PHE A 61 -3.357 1.482 -9.505 1.00 65.01 H new ATOM 0 HD2 PHE A 61 -2.843 -0.709 -5.888 1.00 31.11 H new ATOM 0 HE1 PHE A 61 -0.938 1.897 -9.599 1.00 22.12 H new ATOM 0 HE2 PHE A 61 -0.424 -0.294 -5.978 1.00 53.10 H new ATOM 0 HZ PHE A 61 0.535 1.009 -7.836 1.00 72.34 H new ATOM 955 N TYR A 62 -4.267 -2.829 -8.878 1.00 72.20 N ATOM 956 CA TYR A 62 -3.316 -3.854 -9.295 1.00 33.24 C ATOM 957 C TYR A 62 -3.524 -4.227 -10.759 1.00 1.10 C ATOM 958 O TYR A 62 -4.600 -4.678 -11.151 1.00 22.43 O ATOM 959 CB TYR A 62 -3.457 -5.098 -8.416 1.00 31.04 C ATOM 960 CG TYR A 62 -2.649 -6.278 -8.903 1.00 64.44 C ATOM 961 CD1 TYR A 62 -3.181 -7.180 -9.816 1.00 74.42 C ATOM 962 CD2 TYR A 62 -1.353 -6.493 -8.451 1.00 43.23 C ATOM 963 CE1 TYR A 62 -2.447 -8.261 -10.265 1.00 22.31 C ATOM 964 CE2 TYR A 62 -0.610 -7.570 -8.895 1.00 50.54 C ATOM 965 CZ TYR A 62 -1.162 -8.451 -9.801 1.00 21.45 C ATOM 966 OH TYR A 62 -0.426 -9.526 -10.246 1.00 22.32 O ATOM 0 H TYR A 62 -4.938 -3.137 -8.175 1.00 72.20 H new ATOM 0 HA TYR A 62 -2.311 -3.448 -9.181 1.00 33.24 H new ATOM 0 HB2 TYR A 62 -3.148 -4.852 -7.400 1.00 31.04 H new ATOM 0 HB3 TYR A 62 -4.508 -5.383 -8.370 1.00 31.04 H new ATOM 0 HD1 TYR A 62 -4.187 -7.034 -10.181 1.00 74.42 H new ATOM 0 HD2 TYR A 62 -0.919 -5.806 -7.740 1.00 43.23 H new ATOM 0 HE1 TYR A 62 -2.877 -8.953 -10.975 1.00 22.31 H new ATOM 0 HE2 TYR A 62 0.397 -7.721 -8.535 1.00 50.54 H new ATOM 0 HH TYR A 62 0.458 -9.514 -9.824 1.00 22.32 H new ATOM 976 N GLY A 63 -2.485 -4.034 -11.566 1.00 64.41 N ATOM 977 CA GLY A 63 -2.571 -4.356 -12.978 1.00 51.12 C ATOM 978 C GLY A 63 -2.936 -3.152 -13.825 1.00 21.34 C ATOM 979 O GLY A 63 -3.112 -3.269 -15.038 1.00 14.41 O ATOM 0 H GLY A 63 -1.585 -3.660 -11.266 1.00 64.41 H new ATOM 0 HA2 GLY A 63 -1.615 -4.757 -13.315 1.00 51.12 H new ATOM 0 HA3 GLY A 63 -3.315 -5.139 -13.125 1.00 51.12 H new