USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.42) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0375 (180deg=-0.354) USER MOD Single : A 26 THR OG1 : rot -167:sc= -0.129 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0035 USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0226) USER MOD Single : A 37 THR OG1 : rot 60:sc= -1.7 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.543) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 0.538 -0.378 0.589 1.00 64.11 N ATOM 2 CA TYR A 6 1.262 -0.273 -0.673 1.00 32.43 C ATOM 3 C TYR A 6 1.144 -1.564 -1.477 1.00 22.51 C ATOM 4 O TYR A 6 0.542 -2.537 -1.024 1.00 22.44 O ATOM 5 CB TYR A 6 2.735 0.048 -0.415 1.00 30.41 C ATOM 6 CG TYR A 6 2.948 1.102 0.647 1.00 0.33 C ATOM 7 CD1 TYR A 6 2.157 2.244 0.690 1.00 62.24 C ATOM 8 CD2 TYR A 6 3.940 0.957 1.609 1.00 31.45 C ATOM 9 CE1 TYR A 6 2.349 3.210 1.658 1.00 40.22 C ATOM 10 CE2 TYR A 6 4.138 1.917 2.582 1.00 11.24 C ATOM 11 CZ TYR A 6 3.340 3.042 2.602 1.00 3.31 C ATOM 12 OH TYR A 6 3.534 4.002 3.569 1.00 14.11 O ATOM 0 HA TYR A 6 0.817 0.536 -1.252 1.00 32.43 H new ATOM 0 HB2 TYR A 6 3.250 -0.865 -0.117 1.00 30.41 H new ATOM 0 HB3 TYR A 6 3.193 0.384 -1.345 1.00 30.41 H new ATOM 0 HD1 TYR A 6 1.379 2.378 -0.047 1.00 62.24 H new ATOM 0 HD2 TYR A 6 4.567 0.078 1.596 1.00 31.45 H new ATOM 0 HE1 TYR A 6 1.726 4.092 1.676 1.00 40.22 H new ATOM 0 HE2 TYR A 6 4.913 1.788 3.323 1.00 11.24 H new ATOM 0 HH TYR A 6 4.270 3.731 4.156 1.00 14.11 H new ATOM 22 N GLN A 7 1.724 -1.564 -2.673 1.00 4.03 N ATOM 23 CA GLN A 7 1.685 -2.735 -3.541 1.00 0.22 C ATOM 24 C GLN A 7 1.987 -4.006 -2.754 1.00 74.13 C ATOM 25 O GLN A 7 2.202 -3.962 -1.543 1.00 2.10 O ATOM 26 CB GLN A 7 2.687 -2.580 -4.687 1.00 34.23 C ATOM 27 CG GLN A 7 2.199 -1.671 -5.803 1.00 14.33 C ATOM 28 CD GLN A 7 3.071 -1.745 -7.040 1.00 25.11 C ATOM 29 OE1 GLN A 7 4.040 -0.997 -7.177 1.00 13.35 O ATOM 30 NE2 GLN A 7 2.733 -2.651 -7.950 1.00 10.10 N ATOM 0 H GLN A 7 2.226 -0.766 -3.063 1.00 4.03 H new ATOM 0 HA GLN A 7 0.680 -2.816 -3.955 1.00 0.22 H new ATOM 0 HB2 GLN A 7 3.622 -2.184 -4.290 1.00 34.23 H new ATOM 0 HB3 GLN A 7 2.908 -3.564 -5.101 1.00 34.23 H new ATOM 0 HG2 GLN A 7 1.177 -1.943 -6.067 1.00 14.33 H new ATOM 0 HG3 GLN A 7 2.172 -0.642 -5.443 1.00 14.33 H new ATOM 0 HE21 GLN A 7 1.922 -3.250 -7.796 1.00 10.10 H new ATOM 0 HE22 GLN A 7 3.284 -2.747 -8.803 1.00 10.10 H new ATOM 39 N ASP A 8 2.000 -5.137 -3.450 1.00 74.45 N ATOM 40 CA ASP A 8 2.275 -6.422 -2.817 1.00 44.22 C ATOM 41 C ASP A 8 3.261 -6.259 -1.664 1.00 41.34 C ATOM 42 O ASP A 8 3.137 -6.918 -0.633 1.00 5.25 O ATOM 43 CB ASP A 8 2.830 -7.411 -3.843 1.00 23.52 C ATOM 44 CG ASP A 8 1.783 -7.853 -4.846 1.00 62.42 C ATOM 45 OD1 ASP A 8 0.699 -8.298 -4.415 1.00 1.02 O ATOM 46 OD2 ASP A 8 2.048 -7.756 -6.063 1.00 2.51 O ATOM 0 H ASP A 8 1.823 -5.191 -4.453 1.00 74.45 H new ATOM 0 HA ASP A 8 1.338 -6.811 -2.418 1.00 44.22 H new ATOM 0 HB2 ASP A 8 3.665 -6.951 -4.372 1.00 23.52 H new ATOM 0 HB3 ASP A 8 3.224 -8.285 -3.325 1.00 23.52 H new ATOM 51 N GLN A 9 4.239 -5.378 -1.849 1.00 11.53 N ATOM 52 CA GLN A 9 5.247 -5.130 -0.824 1.00 55.13 C ATOM 53 C GLN A 9 4.603 -5.003 0.553 1.00 42.24 C ATOM 54 O GLN A 9 5.051 -5.623 1.516 1.00 0.04 O ATOM 55 CB GLN A 9 6.035 -3.861 -1.151 1.00 2.40 C ATOM 56 CG GLN A 9 6.841 -3.959 -2.436 1.00 62.11 C ATOM 57 CD GLN A 9 7.390 -2.619 -2.885 1.00 31.01 C ATOM 58 OE1 GLN A 9 6.689 -1.607 -2.855 1.00 5.23 O ATOM 59 NE2 GLN A 9 8.650 -2.605 -3.305 1.00 33.44 N ATOM 0 H GLN A 9 4.355 -4.825 -2.698 1.00 11.53 H new ATOM 0 HA GLN A 9 5.930 -5.979 -0.808 1.00 55.13 H new ATOM 0 HB2 GLN A 9 5.342 -3.023 -1.230 1.00 2.40 H new ATOM 0 HB3 GLN A 9 6.710 -3.640 -0.324 1.00 2.40 H new ATOM 0 HG2 GLN A 9 7.667 -4.655 -2.290 1.00 62.11 H new ATOM 0 HG3 GLN A 9 6.212 -4.372 -3.224 1.00 62.11 H new ATOM 0 HE21 GLN A 9 9.195 -3.467 -3.313 1.00 33.44 H new ATOM 0 HE22 GLN A 9 9.073 -1.732 -3.619 1.00 33.44 H new ATOM 68 N GLU A 10 3.551 -4.195 0.636 1.00 10.45 N ATOM 69 CA GLU A 10 2.847 -3.986 1.897 1.00 44.14 C ATOM 70 C GLU A 10 1.958 -5.181 2.227 1.00 15.42 C ATOM 71 O GLU A 10 1.828 -5.568 3.388 1.00 2.11 O ATOM 72 CB GLU A 10 2.004 -2.711 1.830 1.00 3.24 C ATOM 73 CG GLU A 10 1.426 -2.293 3.172 1.00 75.51 C ATOM 74 CD GLU A 10 2.233 -1.198 3.840 1.00 1.22 C ATOM 75 OE1 GLU A 10 3.472 -1.196 3.688 1.00 63.14 O ATOM 76 OE2 GLU A 10 1.625 -0.342 4.516 1.00 12.50 O ATOM 0 H GLU A 10 3.167 -3.675 -0.153 1.00 10.45 H new ATOM 0 HA GLU A 10 3.591 -3.880 2.687 1.00 44.14 H new ATOM 0 HB2 GLU A 10 2.618 -1.899 1.440 1.00 3.24 H new ATOM 0 HB3 GLU A 10 1.188 -2.862 1.123 1.00 3.24 H new ATOM 0 HG2 GLU A 10 0.401 -1.949 3.031 1.00 75.51 H new ATOM 0 HG3 GLU A 10 1.383 -3.160 3.831 1.00 75.51 H new ATOM 83 N GLN A 11 1.347 -5.759 1.198 1.00 14.41 N ATOM 84 CA GLN A 11 0.468 -6.908 1.379 1.00 31.03 C ATOM 85 C GLN A 11 1.227 -8.083 1.987 1.00 61.25 C ATOM 86 O GLN A 11 0.657 -8.890 2.721 1.00 1.24 O ATOM 87 CB GLN A 11 -0.149 -7.321 0.042 1.00 15.30 C ATOM 88 CG GLN A 11 -0.929 -6.207 -0.638 1.00 3.51 C ATOM 89 CD GLN A 11 -2.065 -6.728 -1.495 1.00 62.15 C ATOM 90 OE1 GLN A 11 -1.962 -6.774 -2.722 1.00 22.24 O ATOM 91 NE2 GLN A 11 -3.157 -7.125 -0.854 1.00 34.14 N ATOM 0 H GLN A 11 1.444 -5.451 0.231 1.00 14.41 H new ATOM 0 HA GLN A 11 -0.329 -6.620 2.065 1.00 31.03 H new ATOM 0 HB2 GLN A 11 0.644 -7.658 -0.626 1.00 15.30 H new ATOM 0 HB3 GLN A 11 -0.812 -8.171 0.204 1.00 15.30 H new ATOM 0 HG2 GLN A 11 -1.330 -5.535 0.120 1.00 3.51 H new ATOM 0 HG3 GLN A 11 -0.251 -5.620 -1.258 1.00 3.51 H new ATOM 0 HE21 GLN A 11 -3.200 -7.070 0.164 1.00 34.14 H new ATOM 0 HE22 GLN A 11 -3.954 -7.486 -1.379 1.00 34.14 H new ATOM 100 N ARG A 12 2.516 -8.174 1.674 1.00 13.32 N ATOM 101 CA ARG A 12 3.352 -9.251 2.188 1.00 65.31 C ATOM 102 C ARG A 12 3.707 -9.013 3.653 1.00 45.14 C ATOM 103 O ARG A 12 3.378 -9.822 4.521 1.00 52.42 O ATOM 104 CB ARG A 12 4.630 -9.374 1.356 1.00 63.42 C ATOM 105 CG ARG A 12 5.098 -10.808 1.166 1.00 32.10 C ATOM 106 CD ARG A 12 6.473 -10.865 0.520 1.00 4.32 C ATOM 107 NE ARG A 12 6.407 -10.677 -0.927 1.00 31.44 N ATOM 108 CZ ARG A 12 7.459 -10.783 -1.730 1.00 42.24 C ATOM 109 NH1 ARG A 12 8.653 -11.073 -1.231 1.00 34.00 N ATOM 110 NH2 ARG A 12 7.319 -10.598 -3.037 1.00 32.31 N ATOM 0 H ARG A 12 3.003 -7.515 1.067 1.00 13.32 H new ATOM 0 HA ARG A 12 2.788 -10.181 2.116 1.00 65.31 H new ATOM 0 HB2 ARG A 12 4.461 -8.923 0.378 1.00 63.42 H new ATOM 0 HB3 ARG A 12 5.423 -8.803 1.838 1.00 63.42 H new ATOM 0 HG2 ARG A 12 5.127 -11.313 2.131 1.00 32.10 H new ATOM 0 HG3 ARG A 12 4.381 -11.347 0.546 1.00 32.10 H new ATOM 0 HD2 ARG A 12 7.111 -10.096 0.957 1.00 4.32 H new ATOM 0 HD3 ARG A 12 6.937 -11.827 0.740 1.00 4.32 H new ATOM 0 HE ARG A 12 5.503 -10.452 -1.343 1.00 31.44 H new ATOM 0 HH11 ARG A 12 8.765 -11.215 -0.227 1.00 34.00 H new ATOM 0 HH12 ARG A 12 9.459 -11.154 -1.851 1.00 34.00 H new ATOM 0 HH21 ARG A 12 6.403 -10.374 -3.425 1.00 32.31 H new ATOM 0 HH22 ARG A 12 8.128 -10.680 -3.653 1.00 32.31 H new ATOM 124 N ILE A 13 4.381 -7.899 3.919 1.00 63.20 N ATOM 125 CA ILE A 13 4.780 -7.555 5.278 1.00 42.20 C ATOM 126 C ILE A 13 3.574 -7.511 6.210 1.00 3.43 C ATOM 127 O ILE A 13 3.668 -7.877 7.382 1.00 21.25 O ATOM 128 CB ILE A 13 5.502 -6.195 5.325 1.00 13.14 C ATOM 129 CG1 ILE A 13 4.622 -5.105 4.709 1.00 4.34 C ATOM 130 CG2 ILE A 13 6.837 -6.278 4.601 1.00 31.30 C ATOM 131 CD1 ILE A 13 5.283 -3.744 4.673 1.00 30.42 C ATOM 0 H ILE A 13 4.662 -7.220 3.212 1.00 63.20 H new ATOM 0 HA ILE A 13 5.466 -8.333 5.613 1.00 42.20 H new ATOM 0 HB ILE A 13 5.692 -5.937 6.367 1.00 13.14 H new ATOM 0 HG12 ILE A 13 4.353 -5.397 3.694 1.00 4.34 H new ATOM 0 HG13 ILE A 13 3.694 -5.035 5.276 1.00 4.34 H new ATOM 0 HG21 ILE A 13 7.335 -5.309 4.643 1.00 31.30 H new ATOM 0 HG22 ILE A 13 7.465 -7.029 5.080 1.00 31.30 H new ATOM 0 HG23 ILE A 13 6.670 -6.555 3.560 1.00 31.30 H new ATOM 0 HD11 ILE A 13 4.602 -3.021 4.224 1.00 30.42 H new ATOM 0 HD12 ILE A 13 5.527 -3.431 5.688 1.00 30.42 H new ATOM 0 HD13 ILE A 13 6.197 -3.799 4.081 1.00 30.42 H new ATOM 143 N LEU A 14 2.441 -7.061 5.682 1.00 23.20 N ATOM 144 CA LEU A 14 1.215 -6.971 6.466 1.00 15.32 C ATOM 145 C LEU A 14 0.732 -8.356 6.884 1.00 74.03 C ATOM 146 O LEU A 14 0.400 -8.586 8.047 1.00 53.51 O ATOM 147 CB LEU A 14 0.124 -6.258 5.664 1.00 63.53 C ATOM 148 CG LEU A 14 0.178 -4.730 5.667 1.00 21.34 C ATOM 149 CD1 LEU A 14 -0.831 -4.158 4.684 1.00 34.33 C ATOM 150 CD2 LEU A 14 -0.074 -4.191 7.068 1.00 71.21 C ATOM 0 H LEU A 14 2.346 -6.753 4.714 1.00 23.20 H new ATOM 0 HA LEU A 14 1.431 -6.395 7.366 1.00 15.32 H new ATOM 0 HB2 LEU A 14 0.178 -6.601 4.631 1.00 63.53 H new ATOM 0 HB3 LEU A 14 -0.846 -6.568 6.053 1.00 63.53 H new ATOM 0 HG LEU A 14 1.175 -4.420 5.353 1.00 21.34 H new ATOM 0 HD11 LEU A 14 -0.778 -3.069 4.700 1.00 34.33 H new ATOM 0 HD12 LEU A 14 -0.605 -4.517 3.680 1.00 34.33 H new ATOM 0 HD13 LEU A 14 -1.835 -4.476 4.966 1.00 34.33 H new ATOM 0 HD21 LEU A 14 -0.032 -3.102 7.052 1.00 71.21 H new ATOM 0 HD22 LEU A 14 -1.058 -4.511 7.409 1.00 71.21 H new ATOM 0 HD23 LEU A 14 0.688 -4.573 7.747 1.00 71.21 H new ATOM 162 N LYS A 15 0.697 -9.278 5.927 1.00 11.23 N ATOM 163 CA LYS A 15 0.258 -10.642 6.195 1.00 64.41 C ATOM 164 C LYS A 15 1.341 -11.428 6.929 1.00 14.51 C ATOM 165 O LYS A 15 1.074 -12.484 7.502 1.00 62.31 O ATOM 166 CB LYS A 15 -0.101 -11.350 4.887 1.00 73.24 C ATOM 167 CG LYS A 15 -1.481 -10.992 4.361 1.00 64.43 C ATOM 168 CD LYS A 15 -1.899 -11.910 3.224 1.00 12.30 C ATOM 169 CE LYS A 15 -1.200 -11.541 1.924 1.00 32.43 C ATOM 170 NZ LYS A 15 -1.733 -12.315 0.769 1.00 34.32 N ATOM 0 H LYS A 15 0.968 -9.105 4.959 1.00 11.23 H new ATOM 0 HA LYS A 15 -0.626 -10.594 6.831 1.00 64.41 H new ATOM 0 HB2 LYS A 15 0.643 -11.099 4.131 1.00 73.24 H new ATOM 0 HB3 LYS A 15 -0.048 -12.428 5.040 1.00 73.24 H new ATOM 0 HG2 LYS A 15 -2.208 -11.059 5.170 1.00 64.43 H new ATOM 0 HG3 LYS A 15 -1.483 -9.958 4.015 1.00 64.43 H new ATOM 0 HD2 LYS A 15 -1.665 -12.942 3.484 1.00 12.30 H new ATOM 0 HD3 LYS A 15 -2.979 -11.853 3.087 1.00 12.30 H new ATOM 0 HE2 LYS A 15 -1.324 -10.475 1.735 1.00 32.43 H new ATOM 0 HE3 LYS A 15 -0.130 -11.725 2.022 1.00 32.43 H new ATOM 0 HZ1 LYS A 15 -1.231 -12.035 -0.098 1.00 34.32 H new ATOM 0 HZ2 LYS A 15 -1.592 -13.332 0.938 1.00 34.32 H new ATOM 0 HZ3 LYS A 15 -2.749 -12.120 0.659 1.00 34.32 H new ATOM 184 N PHE A 16 2.562 -10.904 6.909 1.00 13.33 N ATOM 185 CA PHE A 16 3.684 -11.556 7.574 1.00 42.43 C ATOM 186 C PHE A 16 3.529 -11.494 9.090 1.00 12.14 C ATOM 187 O PHE A 16 3.394 -12.522 9.755 1.00 71.54 O ATOM 188 CB PHE A 16 5.002 -10.899 7.158 1.00 40.14 C ATOM 189 CG PHE A 16 6.180 -11.351 7.972 1.00 65.35 C ATOM 190 CD1 PHE A 16 6.424 -12.700 8.171 1.00 23.44 C ATOM 191 CD2 PHE A 16 7.044 -10.427 8.537 1.00 22.23 C ATOM 192 CE1 PHE A 16 7.508 -13.120 8.920 1.00 61.25 C ATOM 193 CE2 PHE A 16 8.130 -10.841 9.286 1.00 53.00 C ATOM 194 CZ PHE A 16 8.361 -12.189 9.478 1.00 23.04 C ATOM 0 H PHE A 16 2.800 -10.030 6.440 1.00 13.33 H new ATOM 0 HA PHE A 16 3.695 -12.603 7.270 1.00 42.43 H new ATOM 0 HB2 PHE A 16 5.192 -11.117 6.107 1.00 40.14 H new ATOM 0 HB3 PHE A 16 4.903 -9.817 7.246 1.00 40.14 H new ATOM 0 HD1 PHE A 16 5.760 -13.432 7.736 1.00 23.44 H new ATOM 0 HD2 PHE A 16 6.867 -9.372 8.391 1.00 22.23 H new ATOM 0 HE1 PHE A 16 7.687 -14.175 9.068 1.00 61.25 H new ATOM 0 HE2 PHE A 16 8.797 -10.111 9.720 1.00 53.00 H new ATOM 0 HZ PHE A 16 9.208 -12.514 10.064 1.00 23.04 H new ATOM 204 N LEU A 17 3.549 -10.281 9.632 1.00 23.22 N ATOM 205 CA LEU A 17 3.411 -10.083 11.071 1.00 63.51 C ATOM 206 C LEU A 17 1.987 -10.381 11.527 1.00 14.13 C ATOM 207 O LEU A 17 1.737 -10.595 12.713 1.00 11.30 O ATOM 208 CB LEU A 17 3.791 -8.650 11.447 1.00 32.24 C ATOM 209 CG LEU A 17 2.640 -7.645 11.508 1.00 62.03 C ATOM 210 CD1 LEU A 17 1.809 -7.709 10.236 1.00 15.20 C ATOM 211 CD2 LEU A 17 1.770 -7.903 12.729 1.00 4.35 C ATOM 0 H LEU A 17 3.659 -9.420 9.097 1.00 23.22 H new ATOM 0 HA LEU A 17 4.086 -10.775 11.575 1.00 63.51 H new ATOM 0 HB2 LEU A 17 4.282 -8.669 12.420 1.00 32.24 H new ATOM 0 HB3 LEU A 17 4.525 -8.289 10.726 1.00 32.24 H new ATOM 0 HG LEU A 17 3.062 -6.643 11.593 1.00 62.03 H new ATOM 0 HD11 LEU A 17 0.994 -6.987 10.297 1.00 15.20 H new ATOM 0 HD12 LEU A 17 2.439 -7.474 9.378 1.00 15.20 H new ATOM 0 HD13 LEU A 17 1.397 -8.712 10.120 1.00 15.20 H new ATOM 0 HD21 LEU A 17 0.956 -7.178 12.756 1.00 4.35 H new ATOM 0 HD22 LEU A 17 1.357 -8.910 12.675 1.00 4.35 H new ATOM 0 HD23 LEU A 17 2.372 -7.806 13.632 1.00 4.35 H new ATOM 223 N GLU A 18 1.057 -10.395 10.577 1.00 10.21 N ATOM 224 CA GLU A 18 -0.343 -10.668 10.882 1.00 5.24 C ATOM 225 C GLU A 18 -0.529 -12.113 11.335 1.00 24.14 C ATOM 226 O GLU A 18 -1.148 -12.376 12.366 1.00 50.14 O ATOM 227 CB GLU A 18 -1.218 -10.388 9.659 1.00 34.43 C ATOM 228 CG GLU A 18 -1.895 -9.028 9.693 1.00 22.20 C ATOM 229 CD GLU A 18 -2.692 -8.742 8.435 1.00 1.32 C ATOM 230 OE1 GLU A 18 -3.391 -9.657 7.954 1.00 35.20 O ATOM 231 OE2 GLU A 18 -2.616 -7.601 7.932 1.00 22.04 O ATOM 0 H GLU A 18 1.248 -10.221 9.590 1.00 10.21 H new ATOM 0 HA GLU A 18 -0.647 -10.009 11.695 1.00 5.24 H new ATOM 0 HB2 GLU A 18 -0.605 -10.457 8.761 1.00 34.43 H new ATOM 0 HB3 GLU A 18 -1.981 -11.163 9.584 1.00 34.43 H new ATOM 0 HG2 GLU A 18 -2.557 -8.977 10.557 1.00 22.20 H new ATOM 0 HG3 GLU A 18 -1.140 -8.253 9.824 1.00 22.20 H new ATOM 238 N GLU A 19 0.012 -13.045 10.557 1.00 30.41 N ATOM 239 CA GLU A 19 -0.096 -14.464 10.878 1.00 41.24 C ATOM 240 C GLU A 19 0.357 -14.734 12.310 1.00 42.05 C ATOM 241 O GLU A 19 -0.397 -15.275 13.120 1.00 43.41 O ATOM 242 CB GLU A 19 0.739 -15.295 9.901 1.00 3.14 C ATOM 243 CG GLU A 19 0.229 -16.715 9.720 1.00 43.31 C ATOM 244 CD GLU A 19 0.621 -17.626 10.866 1.00 24.44 C ATOM 245 OE1 GLU A 19 1.767 -18.125 10.862 1.00 13.43 O ATOM 246 OE2 GLU A 19 -0.216 -17.842 11.767 1.00 12.10 O ATOM 0 H GLU A 19 0.529 -12.844 9.701 1.00 30.41 H new ATOM 0 HA GLU A 19 -1.143 -14.753 10.787 1.00 41.24 H new ATOM 0 HB2 GLU A 19 0.752 -14.796 8.932 1.00 3.14 H new ATOM 0 HB3 GLU A 19 1.769 -15.330 10.255 1.00 3.14 H new ATOM 0 HG2 GLU A 19 -0.857 -16.698 9.629 1.00 43.31 H new ATOM 0 HG3 GLU A 19 0.620 -17.122 8.787 1.00 43.31 H new ATOM 253 N LEU A 20 1.593 -14.355 12.614 1.00 3.40 N ATOM 254 CA LEU A 20 2.149 -14.556 13.948 1.00 53.21 C ATOM 255 C LEU A 20 1.370 -13.756 14.988 1.00 24.51 C ATOM 256 O LEU A 20 1.316 -14.129 16.159 1.00 20.32 O ATOM 257 CB LEU A 20 3.623 -14.149 13.974 1.00 22.55 C ATOM 258 CG LEU A 20 3.906 -12.663 14.197 1.00 70.34 C ATOM 259 CD1 LEU A 20 4.065 -12.366 15.680 1.00 54.14 C ATOM 260 CD2 LEU A 20 5.149 -12.236 13.429 1.00 32.33 C ATOM 0 H LEU A 20 2.230 -13.907 11.955 1.00 3.40 H new ATOM 0 HA LEU A 20 2.067 -15.615 14.194 1.00 53.21 H new ATOM 0 HB2 LEU A 20 4.122 -14.715 14.761 1.00 22.55 H new ATOM 0 HB3 LEU A 20 4.078 -14.447 13.029 1.00 22.55 H new ATOM 0 HG LEU A 20 3.057 -12.091 13.822 1.00 70.34 H new ATOM 0 HD11 LEU A 20 4.266 -11.304 15.819 1.00 54.14 H new ATOM 0 HD12 LEU A 20 3.148 -12.634 16.205 1.00 54.14 H new ATOM 0 HD13 LEU A 20 4.895 -12.948 16.081 1.00 54.14 H new ATOM 0 HD21 LEU A 20 5.335 -11.176 13.599 1.00 32.33 H new ATOM 0 HD22 LEU A 20 6.006 -12.815 13.773 1.00 32.33 H new ATOM 0 HD23 LEU A 20 4.997 -12.411 12.364 1.00 32.33 H new ATOM 272 N GLY A 21 0.767 -12.655 14.551 1.00 71.22 N ATOM 273 CA GLY A 21 -0.002 -11.822 15.456 1.00 14.31 C ATOM 274 C GLY A 21 -0.240 -10.431 14.903 1.00 43.51 C ATOM 275 O GLY A 21 0.674 -9.608 14.864 1.00 43.42 O ATOM 0 H GLY A 21 0.797 -12.325 13.586 1.00 71.22 H new ATOM 0 HA2 GLY A 21 -0.961 -12.299 15.657 1.00 14.31 H new ATOM 0 HA3 GLY A 21 0.522 -11.746 16.409 1.00 14.31 H new ATOM 279 N GLU A 22 -1.470 -10.168 14.473 1.00 61.11 N ATOM 280 CA GLU A 22 -1.823 -8.867 13.917 1.00 62.23 C ATOM 281 C GLU A 22 -1.629 -7.762 14.952 1.00 70.55 C ATOM 282 O GLU A 22 -2.226 -7.792 16.027 1.00 74.24 O ATOM 283 CB GLU A 22 -3.272 -8.873 13.427 1.00 72.45 C ATOM 284 CG GLU A 22 -4.276 -9.265 14.498 1.00 4.34 C ATOM 285 CD GLU A 22 -5.580 -9.775 13.918 1.00 60.41 C ATOM 286 OE1 GLU A 22 -5.685 -10.996 13.677 1.00 32.10 O ATOM 287 OE2 GLU A 22 -6.496 -8.953 13.705 1.00 61.42 O ATOM 0 H GLU A 22 -2.238 -10.838 14.499 1.00 61.11 H new ATOM 0 HA GLU A 22 -1.162 -8.670 13.073 1.00 62.23 H new ATOM 0 HB2 GLU A 22 -3.523 -7.881 13.051 1.00 72.45 H new ATOM 0 HB3 GLU A 22 -3.360 -9.564 12.588 1.00 72.45 H new ATOM 0 HG2 GLU A 22 -3.840 -10.035 15.134 1.00 4.34 H new ATOM 0 HG3 GLU A 22 -4.478 -8.403 15.134 1.00 4.34 H new ATOM 294 N GLY A 23 -0.788 -6.788 14.618 1.00 11.10 N ATOM 295 CA GLY A 23 -0.529 -5.688 15.528 1.00 14.42 C ATOM 296 C GLY A 23 0.546 -6.017 16.545 1.00 41.55 C ATOM 297 O GLY A 23 0.623 -5.393 17.603 1.00 14.51 O ATOM 0 H GLY A 23 -0.282 -6.741 13.734 1.00 11.10 H new ATOM 0 HA2 GLY A 23 -0.227 -4.811 14.956 1.00 14.42 H new ATOM 0 HA3 GLY A 23 -1.450 -5.427 16.049 1.00 14.42 H new ATOM 301 N LYS A 24 1.379 -7.001 16.224 1.00 2.14 N ATOM 302 CA LYS A 24 2.456 -7.413 17.117 1.00 71.21 C ATOM 303 C LYS A 24 3.817 -7.056 16.529 1.00 41.42 C ATOM 304 O LYS A 24 3.904 -6.349 15.525 1.00 13.21 O ATOM 305 CB LYS A 24 2.381 -8.919 17.378 1.00 61.30 C ATOM 306 CG LYS A 24 1.009 -9.391 17.828 1.00 63.20 C ATOM 307 CD LYS A 24 0.608 -8.758 19.150 1.00 71.51 C ATOM 308 CE LYS A 24 1.566 -9.145 20.266 1.00 13.14 C ATOM 309 NZ LYS A 24 1.682 -10.623 20.411 1.00 52.50 N ATOM 0 H LYS A 24 1.329 -7.528 15.352 1.00 2.14 H new ATOM 0 HA LYS A 24 2.336 -6.880 18.060 1.00 71.21 H new ATOM 0 HB2 LYS A 24 2.659 -9.451 16.468 1.00 61.30 H new ATOM 0 HB3 LYS A 24 3.115 -9.184 18.139 1.00 61.30 H new ATOM 0 HG2 LYS A 24 0.270 -9.144 17.066 1.00 63.20 H new ATOM 0 HG3 LYS A 24 1.012 -10.476 17.929 1.00 63.20 H new ATOM 0 HD2 LYS A 24 0.590 -7.673 19.045 1.00 71.51 H new ATOM 0 HD3 LYS A 24 -0.403 -9.070 19.412 1.00 71.51 H new ATOM 0 HE2 LYS A 24 2.550 -8.722 20.063 1.00 13.14 H new ATOM 0 HE3 LYS A 24 1.221 -8.714 21.206 1.00 13.14 H new ATOM 0 HZ1 LYS A 24 2.190 -10.847 21.290 1.00 52.50 H new ATOM 0 HZ2 LYS A 24 0.732 -11.044 20.444 1.00 52.50 H new ATOM 0 HZ3 LYS A 24 2.205 -11.011 19.600 1.00 52.50 H new ATOM 323 N ALA A 25 4.877 -7.550 17.160 1.00 45.45 N ATOM 324 CA ALA A 25 6.234 -7.285 16.696 1.00 11.23 C ATOM 325 C ALA A 25 6.851 -8.528 16.065 1.00 72.14 C ATOM 326 O ALA A 25 6.254 -9.606 16.078 1.00 45.53 O ATOM 327 CB ALA A 25 7.098 -6.791 17.847 1.00 32.34 C ATOM 0 H ALA A 25 4.823 -8.136 17.993 1.00 45.45 H new ATOM 0 HA ALA A 25 6.185 -6.508 15.933 1.00 11.23 H new ATOM 0 HB1 ALA A 25 8.108 -6.597 17.486 1.00 32.34 H new ATOM 0 HB2 ALA A 25 6.674 -5.872 18.251 1.00 32.34 H new ATOM 0 HB3 ALA A 25 7.131 -7.550 18.629 1.00 32.34 H new ATOM 333 N THR A 26 8.049 -8.372 15.511 1.00 63.34 N ATOM 334 CA THR A 26 8.746 -9.482 14.872 1.00 2.40 C ATOM 335 C THR A 26 10.250 -9.234 14.827 1.00 14.42 C ATOM 336 O THR A 26 10.723 -8.154 15.184 1.00 32.11 O ATOM 337 CB THR A 26 8.233 -9.717 13.439 1.00 42.02 C ATOM 338 OG1 THR A 26 8.777 -10.935 12.918 1.00 40.34 O ATOM 339 CG2 THR A 26 8.612 -8.557 12.531 1.00 44.20 C ATOM 0 H THR A 26 8.557 -7.488 15.492 1.00 63.34 H new ATOM 0 HA THR A 26 8.545 -10.369 15.472 1.00 2.40 H new ATOM 0 HB THR A 26 7.146 -9.790 13.473 1.00 42.02 H new ATOM 0 HG1 THR A 26 8.619 -10.977 11.952 1.00 40.34 H new ATOM 0 HG21 THR A 26 8.239 -8.746 11.524 1.00 44.20 H new ATOM 0 HG22 THR A 26 8.172 -7.636 12.914 1.00 44.20 H new ATOM 0 HG23 THR A 26 9.697 -8.456 12.503 1.00 44.20 H new ATOM 347 N THR A 27 10.998 -10.240 14.386 1.00 51.15 N ATOM 348 CA THR A 27 12.448 -10.131 14.294 1.00 23.03 C ATOM 349 C THR A 27 12.919 -10.257 12.850 1.00 24.41 C ATOM 350 O THR A 27 12.163 -10.676 11.975 1.00 74.32 O ATOM 351 CB THR A 27 13.147 -11.207 15.146 1.00 22.33 C ATOM 352 OG1 THR A 27 12.830 -12.511 14.645 1.00 4.23 O ATOM 353 CG2 THR A 27 12.725 -11.102 16.604 1.00 74.21 C ATOM 0 H THR A 27 10.623 -11.140 14.087 1.00 51.15 H new ATOM 0 HA THR A 27 12.715 -9.145 14.675 1.00 23.03 H new ATOM 0 HB THR A 27 14.223 -11.046 15.083 1.00 22.33 H new ATOM 0 HG1 THR A 27 13.280 -13.189 15.191 1.00 4.23 H new ATOM 0 HG21 THR A 27 13.232 -11.872 17.186 1.00 74.21 H new ATOM 0 HG22 THR A 27 12.994 -10.119 16.991 1.00 74.21 H new ATOM 0 HG23 THR A 27 11.646 -11.240 16.681 1.00 74.21 H new ATOM 361 N ALA A 28 14.174 -9.893 12.608 1.00 64.21 N ATOM 362 CA ALA A 28 14.747 -9.969 11.270 1.00 40.24 C ATOM 363 C ALA A 28 14.905 -11.418 10.821 1.00 52.40 C ATOM 364 O ALA A 28 14.671 -11.747 9.657 1.00 2.25 O ATOM 365 CB ALA A 28 16.089 -9.252 11.228 1.00 33.44 C ATOM 0 H ALA A 28 14.813 -9.543 13.321 1.00 64.21 H new ATOM 0 HA ALA A 28 14.062 -9.475 10.581 1.00 40.24 H new ATOM 0 HB1 ALA A 28 16.505 -9.317 10.223 1.00 33.44 H new ATOM 0 HB2 ALA A 28 15.951 -8.205 11.496 1.00 33.44 H new ATOM 0 HB3 ALA A 28 16.774 -9.720 11.935 1.00 33.44 H new ATOM 371 N HIS A 29 15.303 -12.280 11.751 1.00 62.24 N ATOM 372 CA HIS A 29 15.492 -13.695 11.450 1.00 4.11 C ATOM 373 C HIS A 29 14.243 -14.284 10.802 1.00 64.41 C ATOM 374 O HIS A 29 14.334 -15.080 9.867 1.00 62.11 O ATOM 375 CB HIS A 29 15.833 -14.468 12.725 1.00 54.32 C ATOM 376 CG HIS A 29 16.157 -15.910 12.483 1.00 51.35 C ATOM 377 ND1 HIS A 29 15.336 -16.943 12.883 1.00 63.12 N ATOM 378 CD2 HIS A 29 17.219 -16.488 11.875 1.00 21.32 C ATOM 379 CE1 HIS A 29 15.881 -18.095 12.534 1.00 73.03 C ATOM 380 NE2 HIS A 29 17.024 -17.847 11.920 1.00 13.22 N ATOM 0 H HIS A 29 15.501 -12.024 12.718 1.00 62.24 H new ATOM 0 HA HIS A 29 16.321 -13.784 10.747 1.00 4.11 H new ATOM 0 HB2 HIS A 29 16.682 -13.990 13.213 1.00 54.32 H new ATOM 0 HB3 HIS A 29 14.991 -14.404 13.415 1.00 54.32 H new ATOM 0 HD2 HIS A 29 18.063 -15.976 11.436 1.00 21.32 H new ATOM 0 HE1 HIS A 29 15.463 -19.073 12.719 1.00 73.03 H new ATOM 0 HE2 HIS A 29 17.658 -18.550 11.541 1.00 13.22 H new ATOM 388 N ASP A 30 13.079 -13.889 11.305 1.00 21.30 N ATOM 389 CA ASP A 30 11.812 -14.378 10.775 1.00 74.22 C ATOM 390 C ASP A 30 11.420 -13.616 9.513 1.00 65.04 C ATOM 391 O ASP A 30 10.726 -14.147 8.644 1.00 3.52 O ATOM 392 CB ASP A 30 10.710 -14.247 11.827 1.00 15.41 C ATOM 393 CG ASP A 30 9.589 -15.247 11.621 1.00 64.25 C ATOM 394 OD1 ASP A 30 9.834 -16.458 11.805 1.00 34.22 O ATOM 395 OD2 ASP A 30 8.468 -14.819 11.275 1.00 25.30 O ATOM 0 H ASP A 30 12.987 -13.231 12.079 1.00 21.30 H new ATOM 0 HA ASP A 30 11.936 -15.430 10.519 1.00 74.22 H new ATOM 0 HB2 ASP A 30 11.140 -14.387 12.819 1.00 15.41 H new ATOM 0 HB3 ASP A 30 10.302 -13.237 11.797 1.00 15.41 H new ATOM 400 N LEU A 31 11.869 -12.369 9.418 1.00 60.34 N ATOM 401 CA LEU A 31 11.565 -11.533 8.262 1.00 43.23 C ATOM 402 C LEU A 31 12.115 -12.153 6.981 1.00 2.12 C ATOM 403 O LEU A 31 11.357 -12.547 6.095 1.00 50.40 O ATOM 404 CB LEU A 31 12.148 -10.132 8.454 1.00 13.53 C ATOM 405 CG LEU A 31 11.246 -9.122 9.165 1.00 51.43 C ATOM 406 CD1 LEU A 31 12.075 -8.004 9.777 1.00 3.25 C ATOM 407 CD2 LEU A 31 10.215 -8.555 8.199 1.00 30.42 C ATOM 0 H LEU A 31 12.444 -11.915 10.127 1.00 60.34 H new ATOM 0 HA LEU A 31 10.481 -11.461 8.173 1.00 43.23 H new ATOM 0 HB2 LEU A 31 13.076 -10.221 9.018 1.00 13.53 H new ATOM 0 HB3 LEU A 31 12.408 -9.731 7.474 1.00 13.53 H new ATOM 0 HG LEU A 31 10.719 -9.637 9.968 1.00 51.43 H new ATOM 0 HD11 LEU A 31 11.416 -7.295 10.278 1.00 3.25 H new ATOM 0 HD12 LEU A 31 12.774 -8.424 10.500 1.00 3.25 H new ATOM 0 HD13 LEU A 31 12.630 -7.491 8.992 1.00 3.25 H new ATOM 0 HD21 LEU A 31 9.582 -7.838 8.722 1.00 30.42 H new ATOM 0 HD22 LEU A 31 10.725 -8.056 7.375 1.00 30.42 H new ATOM 0 HD23 LEU A 31 9.599 -9.365 7.807 1.00 30.42 H new ATOM 419 N SER A 32 13.439 -12.239 6.892 1.00 14.52 N ATOM 420 CA SER A 32 14.090 -12.810 5.719 1.00 5.45 C ATOM 421 C SER A 32 13.863 -14.317 5.652 1.00 41.35 C ATOM 422 O SER A 32 13.928 -14.918 4.580 1.00 22.02 O ATOM 423 CB SER A 32 15.590 -12.509 5.747 1.00 64.43 C ATOM 424 OG SER A 32 16.160 -12.868 6.994 1.00 54.40 O ATOM 0 H SER A 32 14.081 -11.921 7.618 1.00 14.52 H new ATOM 0 HA SER A 32 13.651 -12.355 4.831 1.00 5.45 H new ATOM 0 HB2 SER A 32 16.088 -13.054 4.946 1.00 64.43 H new ATOM 0 HB3 SER A 32 15.754 -11.448 5.561 1.00 64.43 H new ATOM 0 HG SER A 32 17.119 -12.667 6.985 1.00 54.40 H new ATOM 430 N GLY A 33 13.596 -14.921 6.805 1.00 31.33 N ATOM 431 CA GLY A 33 13.363 -16.353 6.856 1.00 10.21 C ATOM 432 C GLY A 33 12.022 -16.743 6.267 1.00 60.31 C ATOM 433 O GLY A 33 11.920 -17.726 5.532 1.00 44.33 O ATOM 0 H GLY A 33 13.537 -14.445 7.705 1.00 31.33 H new ATOM 0 HA2 GLY A 33 14.157 -16.867 6.315 1.00 10.21 H new ATOM 0 HA3 GLY A 33 13.413 -16.690 7.891 1.00 10.21 H new ATOM 437 N LYS A 34 10.989 -15.974 6.591 1.00 55.41 N ATOM 438 CA LYS A 34 9.646 -16.243 6.090 1.00 62.43 C ATOM 439 C LYS A 34 9.401 -15.515 4.772 1.00 32.21 C ATOM 440 O LYS A 34 9.050 -16.133 3.765 1.00 4.35 O ATOM 441 CB LYS A 34 8.599 -15.819 7.122 1.00 42.11 C ATOM 442 CG LYS A 34 8.559 -16.711 8.350 1.00 23.53 C ATOM 443 CD LYS A 34 7.944 -18.065 8.036 1.00 24.02 C ATOM 444 CE LYS A 34 8.469 -19.146 8.969 1.00 44.30 C ATOM 445 NZ LYS A 34 9.853 -19.564 8.610 1.00 73.33 N ATOM 0 H LYS A 34 11.056 -15.158 7.199 1.00 55.41 H new ATOM 0 HA LYS A 34 9.559 -17.315 5.914 1.00 62.43 H new ATOM 0 HB2 LYS A 34 8.803 -14.795 7.434 1.00 42.11 H new ATOM 0 HB3 LYS A 34 7.616 -15.819 6.651 1.00 42.11 H new ATOM 0 HG2 LYS A 34 9.570 -16.850 8.733 1.00 23.53 H new ATOM 0 HG3 LYS A 34 7.984 -16.223 9.137 1.00 23.53 H new ATOM 0 HD2 LYS A 34 6.859 -18.002 8.124 1.00 24.02 H new ATOM 0 HD3 LYS A 34 8.165 -18.335 7.003 1.00 24.02 H new ATOM 0 HE2 LYS A 34 8.455 -18.778 9.995 1.00 44.30 H new ATOM 0 HE3 LYS A 34 7.807 -20.011 8.931 1.00 44.30 H new ATOM 0 HZ1 LYS A 34 10.112 -20.412 9.154 1.00 73.33 H new ATOM 0 HZ2 LYS A 34 9.898 -19.778 7.593 1.00 73.33 H new ATOM 0 HZ3 LYS A 34 10.517 -18.794 8.832 1.00 73.33 H new ATOM 459 N LEU A 35 9.588 -14.200 4.785 1.00 61.14 N ATOM 460 CA LEU A 35 9.389 -13.387 3.590 1.00 74.44 C ATOM 461 C LEU A 35 10.375 -13.779 2.494 1.00 3.41 C ATOM 462 O LEU A 35 10.141 -13.523 1.314 1.00 44.03 O ATOM 463 CB LEU A 35 9.545 -11.903 3.926 1.00 35.42 C ATOM 464 CG LEU A 35 8.536 -10.957 3.273 1.00 21.51 C ATOM 465 CD1 LEU A 35 7.197 -11.026 3.992 1.00 45.34 C ATOM 466 CD2 LEU A 35 9.068 -9.532 3.267 1.00 4.14 C ATOM 0 H LEU A 35 9.877 -13.674 5.610 1.00 61.14 H new ATOM 0 HA LEU A 35 8.378 -13.565 3.224 1.00 74.44 H new ATOM 0 HB2 LEU A 35 9.475 -11.787 5.007 1.00 35.42 H new ATOM 0 HB3 LEU A 35 10.548 -11.589 3.636 1.00 35.42 H new ATOM 0 HG LEU A 35 8.387 -11.272 2.240 1.00 21.51 H new ATOM 0 HD11 LEU A 35 6.492 -10.346 3.514 1.00 45.34 H new ATOM 0 HD12 LEU A 35 6.810 -12.044 3.943 1.00 45.34 H new ATOM 0 HD13 LEU A 35 7.329 -10.737 5.035 1.00 45.34 H new ATOM 0 HD21 LEU A 35 8.337 -8.873 2.799 1.00 4.14 H new ATOM 0 HD22 LEU A 35 9.247 -9.206 4.292 1.00 4.14 H new ATOM 0 HD23 LEU A 35 10.002 -9.495 2.706 1.00 4.14 H new ATOM 478 N GLY A 36 11.479 -14.402 2.894 1.00 23.41 N ATOM 479 CA GLY A 36 12.484 -14.821 1.934 1.00 0.12 C ATOM 480 C GLY A 36 13.163 -13.647 1.256 1.00 33.24 C ATOM 481 O GLY A 36 13.744 -13.792 0.180 1.00 32.22 O ATOM 0 H GLY A 36 11.696 -14.624 3.866 1.00 23.41 H new ATOM 0 HA2 GLY A 36 13.235 -15.428 2.440 1.00 0.12 H new ATOM 0 HA3 GLY A 36 12.019 -15.454 1.178 1.00 0.12 H new ATOM 485 N THR A 37 13.089 -12.478 1.886 1.00 71.52 N ATOM 486 CA THR A 37 13.698 -11.274 1.336 1.00 62.32 C ATOM 487 C THR A 37 15.071 -11.023 1.950 1.00 72.05 C ATOM 488 O THR A 37 15.394 -11.517 3.030 1.00 64.54 O ATOM 489 CB THR A 37 12.810 -10.038 1.570 1.00 53.12 C ATOM 490 OG1 THR A 37 12.131 -10.153 2.825 1.00 31.04 O ATOM 491 CG2 THR A 37 11.792 -9.883 0.450 1.00 61.03 C ATOM 0 H THR A 37 12.613 -12.340 2.778 1.00 71.52 H new ATOM 0 HA THR A 37 13.806 -11.436 0.264 1.00 62.32 H new ATOM 0 HB THR A 37 13.450 -9.156 1.583 1.00 53.12 H new ATOM 0 HG1 THR A 37 12.789 -10.220 3.548 1.00 31.04 H new ATOM 0 HG21 THR A 37 11.176 -9.003 0.637 1.00 61.03 H new ATOM 0 HG22 THR A 37 12.312 -9.766 -0.501 1.00 61.03 H new ATOM 0 HG23 THR A 37 11.157 -10.768 0.410 1.00 61.03 H new ATOM 499 N PRO A 38 15.899 -10.236 1.247 1.00 12.41 N ATOM 500 CA PRO A 38 17.250 -9.900 1.705 1.00 3.10 C ATOM 501 C PRO A 38 17.239 -8.973 2.916 1.00 35.41 C ATOM 502 O PRO A 38 16.405 -8.072 3.014 1.00 62.33 O ATOM 503 CB PRO A 38 17.869 -9.193 0.497 1.00 53.54 C ATOM 504 CG PRO A 38 16.707 -8.639 -0.254 1.00 11.33 C ATOM 505 CD PRO A 38 15.579 -9.612 -0.048 1.00 43.00 C ATOM 0 HA PRO A 38 17.801 -10.783 2.028 1.00 3.10 H new ATOM 0 HB2 PRO A 38 18.552 -8.403 0.808 1.00 53.54 H new ATOM 0 HB3 PRO A 38 18.443 -9.887 -0.117 1.00 53.54 H new ATOM 0 HG2 PRO A 38 16.440 -7.649 0.115 1.00 11.33 H new ATOM 0 HG3 PRO A 38 16.942 -8.532 -1.313 1.00 11.33 H new ATOM 0 HD2 PRO A 38 14.613 -9.108 -0.023 1.00 43.00 H new ATOM 0 HD3 PRO A 38 15.533 -10.350 -0.849 1.00 43.00 H new ATOM 513 N LYS A 39 18.169 -9.200 3.838 1.00 74.04 N ATOM 514 CA LYS A 39 18.267 -8.385 5.042 1.00 2.25 C ATOM 515 C LYS A 39 18.418 -6.909 4.690 1.00 42.43 C ATOM 516 O LYS A 39 18.062 -6.032 5.477 1.00 5.43 O ATOM 517 CB LYS A 39 19.453 -8.840 5.895 1.00 24.25 C ATOM 518 CG LYS A 39 19.387 -8.360 7.335 1.00 44.21 C ATOM 519 CD LYS A 39 20.334 -9.144 8.228 1.00 0.23 C ATOM 520 CE LYS A 39 20.091 -8.841 9.699 1.00 62.20 C ATOM 521 NZ LYS A 39 20.939 -9.685 10.586 1.00 34.32 N ATOM 0 H LYS A 39 18.866 -9.942 3.774 1.00 74.04 H new ATOM 0 HA LYS A 39 17.347 -8.512 5.612 1.00 2.25 H new ATOM 0 HB2 LYS A 39 19.500 -9.929 5.886 1.00 24.25 H new ATOM 0 HB3 LYS A 39 20.376 -8.477 5.442 1.00 24.25 H new ATOM 0 HG2 LYS A 39 19.638 -7.300 7.378 1.00 44.21 H new ATOM 0 HG3 LYS A 39 18.367 -8.461 7.707 1.00 44.21 H new ATOM 0 HD2 LYS A 39 20.205 -10.211 8.049 1.00 0.23 H new ATOM 0 HD3 LYS A 39 21.365 -8.900 7.970 1.00 0.23 H new ATOM 0 HE2 LYS A 39 20.298 -7.789 9.892 1.00 62.20 H new ATOM 0 HE3 LYS A 39 19.040 -9.007 9.935 1.00 62.20 H new ATOM 0 HZ1 LYS A 39 20.744 -9.449 11.580 1.00 34.32 H new ATOM 0 HZ2 LYS A 39 20.723 -10.689 10.420 1.00 34.32 H new ATOM 0 HZ3 LYS A 39 21.942 -9.508 10.378 1.00 34.32 H new ATOM 535 N LYS A 40 18.947 -6.640 3.501 1.00 72.24 N ATOM 536 CA LYS A 40 19.143 -5.270 3.041 1.00 34.23 C ATOM 537 C LYS A 40 17.805 -4.597 2.753 1.00 52.25 C ATOM 538 O LYS A 40 17.648 -3.394 2.960 1.00 20.24 O ATOM 539 CB LYS A 40 20.017 -5.252 1.785 1.00 14.42 C ATOM 540 CG LYS A 40 21.419 -5.788 2.012 1.00 23.23 C ATOM 541 CD LYS A 40 21.488 -7.287 1.774 1.00 63.25 C ATOM 542 CE LYS A 40 22.917 -7.747 1.528 1.00 22.44 C ATOM 543 NZ LYS A 40 22.971 -8.936 0.633 1.00 42.24 N ATOM 0 H LYS A 40 19.248 -7.354 2.838 1.00 72.24 H new ATOM 0 HA LYS A 40 19.646 -4.715 3.833 1.00 34.23 H new ATOM 0 HB2 LYS A 40 19.533 -5.843 1.007 1.00 14.42 H new ATOM 0 HB3 LYS A 40 20.084 -4.229 1.414 1.00 14.42 H new ATOM 0 HG2 LYS A 40 22.116 -5.280 1.345 1.00 23.23 H new ATOM 0 HG3 LYS A 40 21.734 -5.566 3.032 1.00 23.23 H new ATOM 0 HD2 LYS A 40 21.079 -7.813 2.637 1.00 63.25 H new ATOM 0 HD3 LYS A 40 20.868 -7.549 0.917 1.00 63.25 H new ATOM 0 HE2 LYS A 40 23.489 -6.932 1.084 1.00 22.44 H new ATOM 0 HE3 LYS A 40 23.390 -7.987 2.480 1.00 22.44 H new ATOM 0 HZ1 LYS A 40 23.962 -9.218 0.490 1.00 42.24 H new ATOM 0 HZ2 LYS A 40 22.446 -9.722 1.068 1.00 42.24 H new ATOM 0 HZ3 LYS A 40 22.543 -8.699 -0.285 1.00 42.24 H new ATOM 557 N GLU A 41 16.844 -5.381 2.274 1.00 53.31 N ATOM 558 CA GLU A 41 15.519 -4.858 1.958 1.00 64.51 C ATOM 559 C GLU A 41 14.711 -4.620 3.230 1.00 73.42 C ATOM 560 O GLU A 41 14.258 -3.505 3.490 1.00 32.32 O ATOM 561 CB GLU A 41 14.771 -5.826 1.038 1.00 23.14 C ATOM 562 CG GLU A 41 13.400 -5.327 0.616 1.00 34.14 C ATOM 563 CD GLU A 41 13.458 -3.987 -0.090 1.00 44.23 C ATOM 564 OE1 GLU A 41 13.459 -2.949 0.604 1.00 53.11 O ATOM 565 OE2 GLU A 41 13.504 -3.976 -1.338 1.00 63.43 O ATOM 0 H GLU A 41 16.958 -6.379 2.096 1.00 53.31 H new ATOM 0 HA GLU A 41 15.645 -3.905 1.445 1.00 64.51 H new ATOM 0 HB2 GLU A 41 15.373 -6.006 0.147 1.00 23.14 H new ATOM 0 HB3 GLU A 41 14.659 -6.784 1.546 1.00 23.14 H new ATOM 0 HG2 GLU A 41 12.938 -6.061 -0.044 1.00 34.14 H new ATOM 0 HG3 GLU A 41 12.762 -5.243 1.496 1.00 34.14 H new ATOM 572 N ILE A 42 14.533 -5.676 4.017 1.00 4.33 N ATOM 573 CA ILE A 42 13.780 -5.582 5.262 1.00 42.23 C ATOM 574 C ILE A 42 14.335 -4.480 6.158 1.00 13.21 C ATOM 575 O ILE A 42 13.592 -3.832 6.895 1.00 73.40 O ATOM 576 CB ILE A 42 13.800 -6.914 6.034 1.00 72.44 C ATOM 577 CG1 ILE A 42 15.231 -7.274 6.438 1.00 0.41 C ATOM 578 CG2 ILE A 42 13.187 -8.023 5.191 1.00 24.42 C ATOM 579 CD1 ILE A 42 15.608 -6.788 7.820 1.00 22.42 C ATOM 0 H ILE A 42 14.900 -6.606 3.815 1.00 4.33 H new ATOM 0 HA ILE A 42 12.751 -5.344 4.991 1.00 42.23 H new ATOM 0 HB ILE A 42 13.205 -6.801 6.940 1.00 72.44 H new ATOM 0 HG12 ILE A 42 15.350 -8.357 6.397 1.00 0.41 H new ATOM 0 HG13 ILE A 42 15.923 -6.849 5.711 1.00 0.41 H new ATOM 0 HG21 ILE A 42 13.208 -8.959 5.750 1.00 24.42 H new ATOM 0 HG22 ILE A 42 12.155 -7.768 4.949 1.00 24.42 H new ATOM 0 HG23 ILE A 42 13.758 -8.138 4.270 1.00 24.42 H new ATOM 0 HD11 ILE A 42 16.635 -7.078 8.040 1.00 22.42 H new ATOM 0 HD12 ILE A 42 15.521 -5.702 7.860 1.00 22.42 H new ATOM 0 HD13 ILE A 42 14.939 -7.233 8.557 1.00 22.42 H new ATOM 591 N ALA A 43 15.645 -4.271 6.088 1.00 24.21 N ATOM 592 CA ALA A 43 16.299 -3.245 6.890 1.00 5.22 C ATOM 593 C ALA A 43 16.021 -1.853 6.334 1.00 51.34 C ATOM 594 O ALA A 43 16.060 -0.863 7.064 1.00 11.42 O ATOM 595 CB ALA A 43 17.798 -3.500 6.954 1.00 41.24 C ATOM 0 H ALA A 43 16.275 -4.799 5.484 1.00 24.21 H new ATOM 0 HA ALA A 43 15.890 -3.293 7.899 1.00 5.22 H new ATOM 0 HB1 ALA A 43 18.273 -2.726 7.556 1.00 41.24 H new ATOM 0 HB2 ALA A 43 17.982 -4.475 7.405 1.00 41.24 H new ATOM 0 HB3 ALA A 43 18.213 -3.482 5.946 1.00 41.24 H new ATOM 601 N ARG A 44 15.741 -1.784 5.036 1.00 35.43 N ATOM 602 CA ARG A 44 15.457 -0.513 4.382 1.00 44.22 C ATOM 603 C ARG A 44 13.980 -0.153 4.509 1.00 71.24 C ATOM 604 O ARG A 44 13.619 1.022 4.563 1.00 53.52 O ATOM 605 CB ARG A 44 15.853 -0.576 2.905 1.00 1.44 C ATOM 606 CG ARG A 44 16.501 0.701 2.394 1.00 62.52 C ATOM 607 CD ARG A 44 17.996 0.716 2.672 1.00 1.42 C ATOM 608 NE ARG A 44 18.733 1.474 1.664 1.00 73.32 N ATOM 609 CZ ARG A 44 18.641 2.791 1.522 1.00 1.31 C ATOM 610 NH1 ARG A 44 17.849 3.494 2.320 1.00 21.23 N ATOM 611 NH2 ARG A 44 19.343 3.409 0.581 1.00 62.14 N ATOM 0 H ARG A 44 15.705 -2.594 4.417 1.00 35.43 H new ATOM 0 HA ARG A 44 16.045 0.260 4.877 1.00 44.22 H new ATOM 0 HB2 ARG A 44 16.542 -1.408 2.757 1.00 1.44 H new ATOM 0 HB3 ARG A 44 14.966 -0.787 2.308 1.00 1.44 H new ATOM 0 HG2 ARG A 44 16.328 0.794 1.322 1.00 62.52 H new ATOM 0 HG3 ARG A 44 16.033 1.563 2.869 1.00 62.52 H new ATOM 0 HD2 ARG A 44 18.177 1.149 3.656 1.00 1.42 H new ATOM 0 HD3 ARG A 44 18.370 -0.308 2.701 1.00 1.42 H new ATOM 0 HE ARG A 44 19.352 0.964 1.035 1.00 73.32 H new ATOM 0 HH11 ARG A 44 17.308 3.023 3.046 1.00 21.23 H new ATOM 0 HH12 ARG A 44 17.781 4.506 2.208 1.00 21.23 H new ATOM 0 HH21 ARG A 44 19.954 2.872 -0.034 1.00 62.14 H new ATOM 0 HH22 ARG A 44 19.271 4.421 0.473 1.00 62.14 H new ATOM 625 N VAL A 45 13.130 -1.174 4.555 1.00 55.21 N ATOM 626 CA VAL A 45 11.691 -0.966 4.676 1.00 45.13 C ATOM 627 C VAL A 45 11.322 -0.478 6.072 1.00 43.41 C ATOM 628 O VAL A 45 10.469 0.397 6.231 1.00 60.44 O ATOM 629 CB VAL A 45 10.910 -2.258 4.372 1.00 21.14 C ATOM 630 CG1 VAL A 45 9.420 -2.046 4.594 1.00 43.21 C ATOM 631 CG2 VAL A 45 11.185 -2.725 2.951 1.00 30.31 C ATOM 0 H VAL A 45 13.412 -2.153 4.510 1.00 55.21 H new ATOM 0 HA VAL A 45 11.418 -0.205 3.945 1.00 45.13 H new ATOM 0 HB VAL A 45 11.248 -3.036 5.057 1.00 21.14 H new ATOM 0 HG11 VAL A 45 8.884 -2.970 4.374 1.00 43.21 H new ATOM 0 HG12 VAL A 45 9.243 -1.762 5.631 1.00 43.21 H new ATOM 0 HG13 VAL A 45 9.063 -1.254 3.935 1.00 43.21 H new ATOM 0 HG21 VAL A 45 10.625 -3.639 2.754 1.00 30.31 H new ATOM 0 HG22 VAL A 45 10.877 -1.951 2.248 1.00 30.31 H new ATOM 0 HG23 VAL A 45 12.251 -2.920 2.832 1.00 30.31 H new ATOM 641 N LEU A 46 11.970 -1.047 7.082 1.00 2.12 N ATOM 642 CA LEU A 46 11.711 -0.669 8.467 1.00 31.43 C ATOM 643 C LEU A 46 12.322 0.692 8.784 1.00 34.01 C ATOM 644 O LEU A 46 11.806 1.436 9.618 1.00 72.22 O ATOM 645 CB LEU A 46 12.273 -1.727 9.419 1.00 61.13 C ATOM 646 CG LEU A 46 13.760 -1.607 9.753 1.00 3.41 C ATOM 647 CD1 LEU A 46 13.962 -0.737 10.985 1.00 73.25 C ATOM 648 CD2 LEU A 46 14.373 -2.984 9.964 1.00 12.50 C ATOM 0 H LEU A 46 12.679 -1.772 6.968 1.00 2.12 H new ATOM 0 HA LEU A 46 10.632 -0.603 8.603 1.00 31.43 H new ATOM 0 HB2 LEU A 46 11.708 -1.686 10.350 1.00 61.13 H new ATOM 0 HB3 LEU A 46 12.097 -2.710 8.982 1.00 61.13 H new ATOM 0 HG LEU A 46 14.264 -1.132 8.911 1.00 3.41 H new ATOM 0 HD11 LEU A 46 15.026 -0.663 11.208 1.00 73.25 H new ATOM 0 HD12 LEU A 46 13.560 0.259 10.797 1.00 73.25 H new ATOM 0 HD13 LEU A 46 13.444 -1.183 11.834 1.00 73.25 H new ATOM 0 HD21 LEU A 46 15.432 -2.879 10.201 1.00 12.50 H new ATOM 0 HD22 LEU A 46 13.865 -3.486 10.788 1.00 12.50 H new ATOM 0 HD23 LEU A 46 14.262 -3.575 9.055 1.00 12.50 H new ATOM 660 N ALA A 47 13.422 1.012 8.111 1.00 2.04 N ATOM 661 CA ALA A 47 14.101 2.286 8.318 1.00 74.50 C ATOM 662 C ALA A 47 13.415 3.405 7.542 1.00 62.13 C ATOM 663 O ALA A 47 13.517 4.577 7.904 1.00 64.04 O ATOM 664 CB ALA A 47 15.563 2.177 7.911 1.00 74.20 C ATOM 0 H ALA A 47 13.862 0.407 7.418 1.00 2.04 H new ATOM 0 HA ALA A 47 14.049 2.530 9.379 1.00 74.50 H new ATOM 0 HB1 ALA A 47 16.058 3.135 8.071 1.00 74.20 H new ATOM 0 HB2 ALA A 47 16.052 1.411 8.513 1.00 74.20 H new ATOM 0 HB3 ALA A 47 15.628 1.906 6.857 1.00 74.20 H new ATOM 670 N SER A 48 12.717 3.036 6.472 1.00 22.14 N ATOM 671 CA SER A 48 12.019 4.010 5.642 1.00 14.11 C ATOM 672 C SER A 48 10.754 4.508 6.336 1.00 61.42 C ATOM 673 O SER A 48 10.530 5.713 6.453 1.00 14.04 O ATOM 674 CB SER A 48 11.662 3.395 4.287 1.00 23.14 C ATOM 675 OG SER A 48 10.974 4.325 3.470 1.00 51.51 O ATOM 0 H SER A 48 12.620 2.070 6.160 1.00 22.14 H new ATOM 0 HA SER A 48 12.684 4.859 5.484 1.00 14.11 H new ATOM 0 HB2 SER A 48 12.571 3.066 3.783 1.00 23.14 H new ATOM 0 HB3 SER A 48 11.043 2.511 4.437 1.00 23.14 H new ATOM 0 HG SER A 48 10.759 3.908 2.610 1.00 51.51 H new ATOM 681 N LEU A 49 9.931 3.571 6.794 1.00 53.04 N ATOM 682 CA LEU A 49 8.688 3.912 7.476 1.00 15.53 C ATOM 683 C LEU A 49 8.968 4.524 8.845 1.00 3.21 C ATOM 684 O LEU A 49 8.283 5.452 9.274 1.00 75.32 O ATOM 685 CB LEU A 49 7.810 2.669 7.631 1.00 14.40 C ATOM 686 CG LEU A 49 6.799 2.418 6.511 1.00 25.50 C ATOM 687 CD1 LEU A 49 7.316 1.352 5.556 1.00 14.23 C ATOM 688 CD2 LEU A 49 5.452 2.010 7.090 1.00 42.24 C ATOM 0 H LEU A 49 10.102 2.569 6.705 1.00 53.04 H new ATOM 0 HA LEU A 49 8.161 4.649 6.870 1.00 15.53 H new ATOM 0 HB2 LEU A 49 8.460 1.797 7.709 1.00 14.40 H new ATOM 0 HB3 LEU A 49 7.267 2.747 8.573 1.00 14.40 H new ATOM 0 HG LEU A 49 6.666 3.344 5.952 1.00 25.50 H new ATOM 0 HD11 LEU A 49 6.584 1.186 4.765 1.00 14.23 H new ATOM 0 HD12 LEU A 49 8.257 1.683 5.116 1.00 14.23 H new ATOM 0 HD13 LEU A 49 7.478 0.422 6.102 1.00 14.23 H new ATOM 0 HD21 LEU A 49 4.745 1.836 6.279 1.00 42.24 H new ATOM 0 HD22 LEU A 49 5.568 1.096 7.673 1.00 42.24 H new ATOM 0 HD23 LEU A 49 5.077 2.806 7.734 1.00 42.24 H new ATOM 700 N ALA A 50 9.982 4.000 9.525 1.00 24.42 N ATOM 701 CA ALA A 50 10.357 4.497 10.843 1.00 33.23 C ATOM 702 C ALA A 50 10.591 6.003 10.816 1.00 53.44 C ATOM 703 O ALA A 50 10.372 6.695 11.811 1.00 71.24 O ATOM 704 CB ALA A 50 11.599 3.777 11.346 1.00 65.14 C ATOM 0 H ALA A 50 10.559 3.231 9.185 1.00 24.42 H new ATOM 0 HA ALA A 50 9.532 4.296 11.527 1.00 33.23 H new ATOM 0 HB1 ALA A 50 11.867 4.159 12.331 1.00 65.14 H new ATOM 0 HB2 ALA A 50 11.398 2.708 11.414 1.00 65.14 H new ATOM 0 HB3 ALA A 50 12.424 3.948 10.654 1.00 65.14 H new ATOM 710 N LYS A 51 11.037 6.507 9.670 1.00 4.11 N ATOM 711 CA LYS A 51 11.301 7.932 9.512 1.00 40.44 C ATOM 712 C LYS A 51 10.007 8.737 9.587 1.00 62.31 C ATOM 713 O LYS A 51 10.004 9.888 10.024 1.00 71.22 O ATOM 714 CB LYS A 51 12.002 8.197 8.177 1.00 54.10 C ATOM 715 CG LYS A 51 12.738 9.524 8.130 1.00 44.44 C ATOM 716 CD LYS A 51 13.253 9.827 6.732 1.00 22.23 C ATOM 717 CE LYS A 51 12.167 10.432 5.857 1.00 53.41 C ATOM 718 NZ LYS A 51 12.736 11.279 4.772 1.00 30.20 N ATOM 0 H LYS A 51 11.223 5.949 8.837 1.00 4.11 H new ATOM 0 HA LYS A 51 11.953 8.248 10.327 1.00 40.44 H new ATOM 0 HB2 LYS A 51 12.710 7.391 7.982 1.00 54.10 H new ATOM 0 HB3 LYS A 51 11.262 8.173 7.377 1.00 54.10 H new ATOM 0 HG2 LYS A 51 12.071 10.323 8.454 1.00 44.44 H new ATOM 0 HG3 LYS A 51 13.573 9.503 8.830 1.00 44.44 H new ATOM 0 HD2 LYS A 51 14.096 10.515 6.795 1.00 22.23 H new ATOM 0 HD3 LYS A 51 13.623 8.910 6.273 1.00 22.23 H new ATOM 0 HE2 LYS A 51 11.568 9.634 5.418 1.00 53.41 H new ATOM 0 HE3 LYS A 51 11.497 11.032 6.473 1.00 53.41 H new ATOM 0 HZ1 LYS A 51 11.963 11.673 4.198 1.00 30.20 H new ATOM 0 HZ2 LYS A 51 13.287 12.055 5.191 1.00 30.20 H new ATOM 0 HZ3 LYS A 51 13.355 10.701 4.169 1.00 30.20 H new ATOM 732 N LYS A 52 8.909 8.123 9.160 1.00 52.24 N ATOM 733 CA LYS A 52 7.607 8.780 9.181 1.00 43.31 C ATOM 734 C LYS A 52 6.958 8.657 10.556 1.00 71.14 C ATOM 735 O LYS A 52 6.069 9.432 10.905 1.00 51.33 O ATOM 736 CB LYS A 52 6.690 8.175 8.116 1.00 41.33 C ATOM 737 CG LYS A 52 5.285 8.753 8.124 1.00 63.34 C ATOM 738 CD LYS A 52 4.324 7.870 8.902 1.00 70.13 C ATOM 739 CE LYS A 52 3.719 6.790 8.018 1.00 65.32 C ATOM 740 NZ LYS A 52 2.854 7.366 6.951 1.00 22.44 N ATOM 0 H LYS A 52 8.895 7.171 8.795 1.00 52.24 H new ATOM 0 HA LYS A 52 7.758 9.837 8.963 1.00 43.31 H new ATOM 0 HB2 LYS A 52 7.134 8.334 7.133 1.00 41.33 H new ATOM 0 HB3 LYS A 52 6.631 7.097 8.268 1.00 41.33 H new ATOM 0 HG2 LYS A 52 5.303 9.750 8.565 1.00 63.34 H new ATOM 0 HG3 LYS A 52 4.930 8.864 7.099 1.00 63.34 H new ATOM 0 HD2 LYS A 52 4.849 7.406 9.737 1.00 70.13 H new ATOM 0 HD3 LYS A 52 3.528 8.482 9.326 1.00 70.13 H new ATOM 0 HE2 LYS A 52 4.517 6.205 7.562 1.00 65.32 H new ATOM 0 HE3 LYS A 52 3.132 6.106 8.631 1.00 65.32 H new ATOM 0 HZ1 LYS A 52 2.173 6.648 6.631 1.00 22.44 H new ATOM 0 HZ2 LYS A 52 2.339 8.188 7.327 1.00 22.44 H new ATOM 0 HZ3 LYS A 52 3.445 7.665 6.149 1.00 22.44 H new ATOM 754 N GLY A 53 7.410 7.677 11.333 1.00 54.11 N ATOM 755 CA GLY A 53 6.862 7.472 12.661 1.00 31.40 C ATOM 756 C GLY A 53 5.830 6.361 12.697 1.00 4.44 C ATOM 757 O GLY A 53 4.852 6.437 13.440 1.00 35.22 O ATOM 0 H GLY A 53 8.145 7.022 11.067 1.00 54.11 H new ATOM 0 HA2 GLY A 53 7.671 7.235 13.352 1.00 31.40 H new ATOM 0 HA3 GLY A 53 6.406 8.399 13.010 1.00 31.40 H new ATOM 761 N LYS A 54 6.048 5.327 11.892 1.00 51.32 N ATOM 762 CA LYS A 54 5.130 4.196 11.833 1.00 10.04 C ATOM 763 C LYS A 54 5.805 2.922 12.331 1.00 34.31 C ATOM 764 O LYS A 54 5.140 2.000 12.806 1.00 33.11 O ATOM 765 CB LYS A 54 4.627 3.994 10.402 1.00 3.01 C ATOM 766 CG LYS A 54 3.651 2.840 10.258 1.00 71.54 C ATOM 767 CD LYS A 54 2.399 3.060 11.091 1.00 44.14 C ATOM 768 CE LYS A 54 1.594 4.247 10.583 1.00 23.25 C ATOM 769 NZ LYS A 54 0.170 4.174 11.011 1.00 73.21 N ATOM 0 H LYS A 54 6.853 5.249 11.271 1.00 51.32 H new ATOM 0 HA LYS A 54 4.282 4.414 12.481 1.00 10.04 H new ATOM 0 HB2 LYS A 54 4.145 4.911 10.062 1.00 3.01 H new ATOM 0 HB3 LYS A 54 5.481 3.821 9.747 1.00 3.01 H new ATOM 0 HG2 LYS A 54 3.376 2.724 9.210 1.00 71.54 H new ATOM 0 HG3 LYS A 54 4.135 1.913 10.565 1.00 71.54 H new ATOM 0 HD2 LYS A 54 1.781 2.162 11.066 1.00 44.14 H new ATOM 0 HD3 LYS A 54 2.677 3.226 12.132 1.00 44.14 H new ATOM 0 HE2 LYS A 54 2.037 5.172 10.952 1.00 23.25 H new ATOM 0 HE3 LYS A 54 1.645 4.282 9.495 1.00 23.25 H new ATOM 0 HZ1 LYS A 54 -0.345 5.000 10.645 1.00 73.21 H new ATOM 0 HZ2 LYS A 54 -0.261 3.304 10.637 1.00 73.21 H new ATOM 0 HZ3 LYS A 54 0.120 4.167 12.050 1.00 73.21 H new ATOM 783 N LEU A 55 7.128 2.876 12.221 1.00 54.43 N ATOM 784 CA LEU A 55 7.893 1.715 12.661 1.00 12.23 C ATOM 785 C LEU A 55 8.665 2.025 13.940 1.00 42.05 C ATOM 786 O LEU A 55 8.831 3.187 14.309 1.00 40.11 O ATOM 787 CB LEU A 55 8.860 1.270 11.563 1.00 52.33 C ATOM 788 CG LEU A 55 8.385 0.119 10.676 1.00 34.42 C ATOM 789 CD1 LEU A 55 8.116 -1.123 11.512 1.00 24.14 C ATOM 790 CD2 LEU A 55 7.138 0.521 9.901 1.00 5.21 C ATOM 0 H LEU A 55 7.693 3.630 11.831 1.00 54.43 H new ATOM 0 HA LEU A 55 7.192 0.906 12.868 1.00 12.23 H new ATOM 0 HB2 LEU A 55 9.075 2.128 10.926 1.00 52.33 H new ATOM 0 HB3 LEU A 55 9.800 0.977 12.031 1.00 52.33 H new ATOM 0 HG LEU A 55 9.175 -0.112 9.961 1.00 34.42 H new ATOM 0 HD11 LEU A 55 7.779 -1.932 10.864 1.00 24.14 H new ATOM 0 HD12 LEU A 55 9.031 -1.424 12.022 1.00 24.14 H new ATOM 0 HD13 LEU A 55 7.345 -0.904 12.251 1.00 24.14 H new ATOM 0 HD21 LEU A 55 6.815 -0.311 9.275 1.00 5.21 H new ATOM 0 HD22 LEU A 55 6.343 0.780 10.600 1.00 5.21 H new ATOM 0 HD23 LEU A 55 7.362 1.382 9.272 1.00 5.21 H new ATOM 802 N GLN A 56 9.137 0.978 14.609 1.00 73.25 N ATOM 803 CA GLN A 56 9.893 1.139 15.845 1.00 41.04 C ATOM 804 C GLN A 56 10.835 -0.040 16.064 1.00 33.44 C ATOM 805 O GLN A 56 10.556 -1.160 15.634 1.00 42.21 O ATOM 806 CB GLN A 56 8.942 1.276 17.035 1.00 42.51 C ATOM 807 CG GLN A 56 8.218 2.612 17.084 1.00 51.11 C ATOM 808 CD GLN A 56 9.169 3.792 17.086 1.00 43.34 C ATOM 809 OE1 GLN A 56 10.332 3.667 17.471 1.00 20.41 O ATOM 810 NE2 GLN A 56 8.680 4.948 16.653 1.00 13.43 N ATOM 0 H GLN A 56 9.009 0.009 14.316 1.00 73.25 H new ATOM 0 HA GLN A 56 10.490 2.047 15.761 1.00 41.04 H new ATOM 0 HB2 GLN A 56 8.205 0.474 16.995 1.00 42.51 H new ATOM 0 HB3 GLN A 56 9.507 1.144 17.958 1.00 42.51 H new ATOM 0 HG2 GLN A 56 7.550 2.690 16.226 1.00 51.11 H new ATOM 0 HG3 GLN A 56 7.595 2.651 17.978 1.00 51.11 H new ATOM 0 HE21 GLN A 56 7.710 5.007 16.343 1.00 13.43 H new ATOM 0 HE22 GLN A 56 9.274 5.777 16.630 1.00 13.43 H new ATOM 819 N LYS A 57 11.951 0.218 16.737 1.00 62.31 N ATOM 820 CA LYS A 57 12.935 -0.822 17.015 1.00 12.14 C ATOM 821 C LYS A 57 13.082 -1.043 18.517 1.00 23.14 C ATOM 822 O LYS A 57 13.692 -0.234 19.216 1.00 64.15 O ATOM 823 CB LYS A 57 14.289 -0.447 16.409 1.00 20.20 C ATOM 824 CG LYS A 57 14.208 -0.031 14.950 1.00 21.15 C ATOM 825 CD LYS A 57 15.575 0.339 14.399 1.00 30.15 C ATOM 826 CE LYS A 57 15.473 1.419 13.334 1.00 55.14 C ATOM 827 NZ LYS A 57 15.540 2.786 13.921 1.00 71.11 N ATOM 0 H LYS A 57 12.197 1.139 17.100 1.00 62.31 H new ATOM 0 HA LYS A 57 12.585 -1.749 16.561 1.00 12.14 H new ATOM 0 HB2 LYS A 57 14.723 0.369 16.987 1.00 20.20 H new ATOM 0 HB3 LYS A 57 14.966 -1.297 16.499 1.00 20.20 H new ATOM 0 HG2 LYS A 57 13.786 -0.845 14.361 1.00 21.15 H new ATOM 0 HG3 LYS A 57 13.532 0.818 14.850 1.00 21.15 H new ATOM 0 HD2 LYS A 57 16.214 0.686 15.211 1.00 30.15 H new ATOM 0 HD3 LYS A 57 16.050 -0.546 13.976 1.00 30.15 H new ATOM 0 HE2 LYS A 57 16.280 1.294 12.612 1.00 55.14 H new ATOM 0 HE3 LYS A 57 14.536 1.304 12.789 1.00 55.14 H new ATOM 0 HZ1 LYS A 57 15.467 3.494 13.162 1.00 71.11 H new ATOM 0 HZ2 LYS A 57 14.755 2.915 14.591 1.00 71.11 H new ATOM 0 HZ3 LYS A 57 16.445 2.906 14.420 1.00 71.11 H new ATOM 841 N GLU A 58 12.521 -2.144 19.007 1.00 71.31 N ATOM 842 CA GLU A 58 12.591 -2.471 20.426 1.00 5.33 C ATOM 843 C GLU A 58 14.022 -2.811 20.836 1.00 54.31 C ATOM 844 O GLU A 58 14.415 -3.977 20.847 1.00 53.30 O ATOM 845 CB GLU A 58 11.664 -3.644 20.749 1.00 22.22 C ATOM 846 CG GLU A 58 10.781 -3.406 21.962 1.00 12.03 C ATOM 847 CD GLU A 58 9.627 -4.387 22.046 1.00 42.44 C ATOM 848 OE1 GLU A 58 9.082 -4.754 20.984 1.00 64.21 O ATOM 849 OE2 GLU A 58 9.270 -4.787 23.173 1.00 13.45 O ATOM 0 H GLU A 58 12.013 -2.825 18.442 1.00 71.31 H new ATOM 0 HA GLU A 58 12.267 -1.596 20.990 1.00 5.33 H new ATOM 0 HB2 GLU A 58 11.032 -3.845 19.884 1.00 22.22 H new ATOM 0 HB3 GLU A 58 12.267 -4.536 20.918 1.00 22.22 H new ATOM 0 HG2 GLU A 58 11.384 -3.483 22.866 1.00 12.03 H new ATOM 0 HG3 GLU A 58 10.387 -2.390 21.926 1.00 12.03 H new ATOM 856 N ALA A 59 14.795 -1.783 21.171 1.00 32.24 N ATOM 857 CA ALA A 59 16.180 -1.972 21.583 1.00 23.10 C ATOM 858 C ALA A 59 16.307 -1.967 23.103 1.00 42.24 C ATOM 859 O ALA A 59 16.767 -0.991 23.693 1.00 0.45 O ATOM 860 CB ALA A 59 17.064 -0.893 20.974 1.00 74.41 C ATOM 0 H ALA A 59 14.485 -0.811 21.165 1.00 32.24 H new ATOM 0 HA ALA A 59 16.511 -2.945 21.220 1.00 23.10 H new ATOM 0 HB1 ALA A 59 18.096 -1.047 21.290 1.00 74.41 H new ATOM 0 HB2 ALA A 59 17.006 -0.946 19.887 1.00 74.41 H new ATOM 0 HB3 ALA A 59 16.724 0.087 21.308 1.00 74.41 H new ATOM 866 N GLY A 60 15.895 -3.064 23.730 1.00 24.24 N ATOM 867 CA GLY A 60 15.971 -3.164 25.176 1.00 33.32 C ATOM 868 C GLY A 60 15.885 -4.597 25.663 1.00 20.14 C ATOM 869 O GLY A 60 16.541 -5.487 25.120 1.00 3.54 O ATOM 0 H GLY A 60 15.510 -3.885 23.263 1.00 24.24 H new ATOM 0 HA2 GLY A 60 16.907 -2.722 25.519 1.00 33.32 H new ATOM 0 HA3 GLY A 60 15.163 -2.583 25.620 1.00 33.32 H new ATOM 873 N THR A 61 15.074 -4.823 26.693 1.00 64.23 N ATOM 874 CA THR A 61 14.907 -6.157 27.255 1.00 23.23 C ATOM 875 C THR A 61 14.528 -7.165 26.177 1.00 64.44 C ATOM 876 O THR A 61 15.264 -8.110 25.890 1.00 43.13 O ATOM 877 CB THR A 61 13.830 -6.172 28.357 1.00 44.45 C ATOM 878 OG1 THR A 61 13.191 -4.893 28.433 1.00 11.31 O ATOM 879 CG2 THR A 61 14.440 -6.521 29.706 1.00 45.24 C ATOM 0 H THR A 61 14.523 -4.099 27.154 1.00 64.23 H new ATOM 0 HA THR A 61 15.866 -6.438 27.690 1.00 23.23 H new ATOM 0 HB THR A 61 13.092 -6.933 28.103 1.00 44.45 H new ATOM 0 HG1 THR A 61 12.507 -4.910 29.134 1.00 11.31 H new ATOM 0 HG21 THR A 61 13.660 -6.525 30.468 1.00 45.24 H new ATOM 0 HG22 THR A 61 14.901 -7.507 29.653 1.00 45.24 H new ATOM 0 HG23 THR A 61 15.197 -5.781 29.966 1.00 45.24 H new ATOM 887 N PRO A 62 13.353 -6.963 25.562 1.00 4.54 N ATOM 888 CA PRO A 62 12.851 -7.844 24.504 1.00 11.50 C ATOM 889 C PRO A 62 13.657 -7.720 23.216 1.00 60.04 C ATOM 890 O PRO A 62 13.598 -6.711 22.512 1.00 31.32 O ATOM 891 CB PRO A 62 11.417 -7.354 24.286 1.00 32.45 C ATOM 892 CG PRO A 62 11.431 -5.932 24.728 1.00 13.30 C ATOM 893 CD PRO A 62 12.425 -5.857 25.854 1.00 61.14 C ATOM 0 HA PRO A 62 12.920 -8.896 24.782 1.00 11.50 H new ATOM 0 HB2 PRO A 62 11.124 -7.440 23.240 1.00 32.45 H new ATOM 0 HB3 PRO A 62 10.705 -7.942 24.866 1.00 32.45 H new ATOM 0 HG2 PRO A 62 11.718 -5.272 23.910 1.00 13.30 H new ATOM 0 HG3 PRO A 62 10.442 -5.617 25.059 1.00 13.30 H new ATOM 0 HD2 PRO A 62 12.939 -4.896 25.874 1.00 61.14 H new ATOM 0 HD3 PRO A 62 11.944 -5.981 26.824 1.00 61.14 H new ATOM 901 N PRO A 63 14.429 -8.770 22.897 1.00 51.44 N ATOM 902 CA PRO A 63 15.261 -8.803 21.690 1.00 0.42 C ATOM 903 C PRO A 63 14.430 -8.901 20.415 1.00 22.44 C ATOM 904 O PRO A 63 14.180 -9.996 19.908 1.00 3.32 O ATOM 905 CB PRO A 63 16.106 -10.065 21.877 1.00 63.12 C ATOM 906 CG PRO A 63 15.295 -10.935 22.773 1.00 75.41 C ATOM 907 CD PRO A 63 14.548 -10.005 23.689 1.00 62.23 C ATOM 0 HA PRO A 63 15.849 -7.893 21.575 1.00 0.42 H new ATOM 0 HB2 PRO A 63 16.303 -10.554 20.923 1.00 63.12 H new ATOM 0 HB3 PRO A 63 17.073 -9.831 22.322 1.00 63.12 H new ATOM 0 HG2 PRO A 63 14.606 -11.553 22.198 1.00 75.41 H new ATOM 0 HG3 PRO A 63 15.933 -11.613 23.341 1.00 75.41 H new ATOM 0 HD2 PRO A 63 13.571 -10.405 23.958 1.00 62.23 H new ATOM 0 HD3 PRO A 63 15.090 -9.835 24.619 1.00 62.23 H new ATOM 915 N LEU A 64 14.005 -7.753 19.902 1.00 50.45 N ATOM 916 CA LEU A 64 13.202 -7.710 18.684 1.00 10.53 C ATOM 917 C LEU A 64 12.823 -6.275 18.332 1.00 0.44 C ATOM 918 O LEU A 64 13.225 -5.331 19.014 1.00 61.34 O ATOM 919 CB LEU A 64 11.939 -8.556 18.853 1.00 40.12 C ATOM 920 CG LEU A 64 11.271 -8.498 20.227 1.00 74.11 C ATOM 921 CD1 LEU A 64 10.642 -7.133 20.457 1.00 14.25 C ATOM 922 CD2 LEU A 64 10.227 -9.597 20.359 1.00 73.51 C ATOM 0 H LEU A 64 14.202 -6.839 20.310 1.00 50.45 H new ATOM 0 HA LEU A 64 13.800 -8.119 17.869 1.00 10.53 H new ATOM 0 HB2 LEU A 64 11.212 -8.241 18.104 1.00 40.12 H new ATOM 0 HB3 LEU A 64 12.190 -9.594 18.637 1.00 40.12 H new ATOM 0 HG LEU A 64 12.035 -8.656 20.988 1.00 74.11 H new ATOM 0 HD11 LEU A 64 10.171 -7.110 21.440 1.00 14.25 H new ATOM 0 HD12 LEU A 64 11.413 -6.364 20.406 1.00 14.25 H new ATOM 0 HD13 LEU A 64 9.890 -6.945 19.690 1.00 14.25 H new ATOM 0 HD21 LEU A 64 9.762 -9.541 21.343 1.00 73.51 H new ATOM 0 HD22 LEU A 64 9.465 -9.470 19.590 1.00 73.51 H new ATOM 0 HD23 LEU A 64 10.705 -10.569 20.239 1.00 73.51 H new ATOM 934 N TRP A 65 12.046 -6.118 17.267 1.00 61.02 N ATOM 935 CA TRP A 65 11.611 -4.798 16.826 1.00 52.41 C ATOM 936 C TRP A 65 10.281 -4.420 17.470 1.00 43.34 C ATOM 937 O TRP A 65 9.820 -5.081 18.400 1.00 2.23 O ATOM 938 CB TRP A 65 11.482 -4.763 15.302 1.00 11.12 C ATOM 939 CG TRP A 65 12.574 -5.508 14.597 1.00 62.24 C ATOM 940 CD1 TRP A 65 12.428 -6.409 13.580 1.00 12.42 C ATOM 941 CD2 TRP A 65 13.979 -5.418 14.857 1.00 62.45 C ATOM 942 NE1 TRP A 65 13.657 -6.884 13.193 1.00 44.03 N ATOM 943 CE2 TRP A 65 14.625 -6.291 13.960 1.00 64.45 C ATOM 944 CE3 TRP A 65 14.755 -4.684 15.758 1.00 75.11 C ATOM 945 CZ2 TRP A 65 16.009 -6.449 13.941 1.00 53.11 C ATOM 946 CZ3 TRP A 65 16.127 -4.842 15.738 1.00 2.24 C ATOM 947 CH2 TRP A 65 16.743 -5.718 14.835 1.00 41.25 C ATOM 0 H TRP A 65 11.704 -6.888 16.693 1.00 61.02 H new ATOM 0 HA TRP A 65 12.363 -4.073 17.136 1.00 52.41 H new ATOM 0 HB2 TRP A 65 10.519 -5.187 15.016 1.00 11.12 H new ATOM 0 HB3 TRP A 65 11.485 -3.725 14.968 1.00 11.12 H new ATOM 0 HD1 TRP A 65 11.485 -6.704 13.145 1.00 12.42 H new ATOM 0 HE1 TRP A 65 13.822 -7.568 12.454 1.00 44.03 H new ATOM 0 HE3 TRP A 65 14.290 -4.005 16.458 1.00 75.11 H new ATOM 0 HZ2 TRP A 65 16.485 -7.124 13.246 1.00 53.11 H new ATOM 0 HZ3 TRP A 65 16.736 -4.280 16.431 1.00 2.24 H new ATOM 0 HH2 TRP A 65 17.818 -5.818 14.845 1.00 41.25 H new ATOM 958 N LYS A 66 9.668 -3.352 16.969 1.00 65.54 N ATOM 959 CA LYS A 66 8.390 -2.887 17.494 1.00 44.34 C ATOM 960 C LYS A 66 7.587 -2.171 16.413 1.00 52.51 C ATOM 961 O LYS A 66 8.101 -1.884 15.331 1.00 2.15 O ATOM 962 CB LYS A 66 8.615 -1.950 18.682 1.00 10.45 C ATOM 963 CG LYS A 66 7.587 -2.113 19.788 1.00 13.13 C ATOM 964 CD LYS A 66 7.275 -0.786 20.461 1.00 64.24 C ATOM 965 CE LYS A 66 8.340 -0.415 21.482 1.00 62.45 C ATOM 966 NZ LYS A 66 8.034 0.876 22.158 1.00 65.42 N ATOM 0 H LYS A 66 10.036 -2.792 16.200 1.00 65.54 H new ATOM 0 HA LYS A 66 7.823 -3.757 17.827 1.00 44.34 H new ATOM 0 HB2 LYS A 66 9.609 -2.129 19.092 1.00 10.45 H new ATOM 0 HB3 LYS A 66 8.597 -0.919 18.329 1.00 10.45 H new ATOM 0 HG2 LYS A 66 6.671 -2.537 19.375 1.00 13.13 H new ATOM 0 HG3 LYS A 66 7.959 -2.820 20.530 1.00 13.13 H new ATOM 0 HD2 LYS A 66 7.204 -0.002 19.707 1.00 64.24 H new ATOM 0 HD3 LYS A 66 6.304 -0.845 20.952 1.00 64.24 H new ATOM 0 HE2 LYS A 66 8.419 -1.206 22.228 1.00 62.45 H new ATOM 0 HE3 LYS A 66 9.309 -0.345 20.987 1.00 62.45 H new ATOM 0 HZ1 LYS A 66 8.783 1.094 22.846 1.00 65.42 H new ATOM 0 HZ2 LYS A 66 7.983 1.636 21.449 1.00 65.42 H new ATOM 0 HZ3 LYS A 66 7.122 0.802 22.651 1.00 65.42 H new ATOM 980 N ILE A 67 6.325 -1.883 16.713 1.00 33.31 N ATOM 981 CA ILE A 67 5.452 -1.198 15.768 1.00 61.23 C ATOM 982 C ILE A 67 4.995 0.148 16.318 1.00 12.41 C ATOM 983 O ILE A 67 5.073 0.398 17.521 1.00 74.43 O ATOM 984 CB ILE A 67 4.214 -2.048 15.427 1.00 72.12 C ATOM 985 CG1 ILE A 67 3.133 -1.865 16.494 1.00 11.12 C ATOM 986 CG2 ILE A 67 4.597 -3.515 15.299 1.00 12.14 C ATOM 987 CD1 ILE A 67 3.568 -2.300 17.876 1.00 62.41 C ATOM 0 H ILE A 67 5.884 -2.114 17.603 1.00 33.31 H new ATOM 0 HA ILE A 67 6.034 -1.038 14.860 1.00 61.23 H new ATOM 0 HB ILE A 67 3.814 -1.713 14.470 1.00 72.12 H new ATOM 0 HG12 ILE A 67 2.841 -0.815 16.527 1.00 11.12 H new ATOM 0 HG13 ILE A 67 2.249 -2.433 16.205 1.00 11.12 H new ATOM 0 HG21 ILE A 67 3.711 -4.103 15.058 1.00 12.14 H new ATOM 0 HG22 ILE A 67 5.336 -3.630 14.506 1.00 12.14 H new ATOM 0 HG23 ILE A 67 5.019 -3.865 16.241 1.00 12.14 H new ATOM 0 HD11 ILE A 67 2.752 -2.142 18.581 1.00 62.41 H new ATOM 0 HD12 ILE A 67 3.832 -3.357 17.858 1.00 62.41 H new ATOM 0 HD13 ILE A 67 4.434 -1.715 18.186 1.00 62.41 H new ATOM 999 N ALA A 68 4.516 1.013 15.429 1.00 30.15 N ATOM 1000 CA ALA A 68 4.042 2.333 15.827 1.00 61.15 C ATOM 1001 C ALA A 68 2.765 2.705 15.081 1.00 61.12 C ATOM 1002 O ALA A 68 2.040 3.614 15.487 1.00 21.01 O ATOM 1003 CB ALA A 68 5.122 3.377 15.582 1.00 73.21 C ATOM 0 H ALA A 68 4.446 0.823 14.429 1.00 30.15 H new ATOM 0 HA ALA A 68 3.814 2.305 16.893 1.00 61.15 H new ATOM 0 HB1 ALA A 68 4.755 4.358 15.883 1.00 73.21 H new ATOM 0 HB2 ALA A 68 6.009 3.127 16.164 1.00 73.21 H new ATOM 0 HB3 ALA A 68 5.377 3.395 14.522 1.00 73.21 H new