USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 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 83 GLN : amide:sc= -1.27! C(o=-0.65!,f=-13!) USER MOD Set 1.2: A 86 LYS NZ :NH3+ 169:sc= 0.628 (180deg=-0.477) USER MOD Set 2.1: A 16 HIS : no HE2:sc= 0.21 K(o=-0.32,f=-2.9) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.534 K(o=-0.32,f=0.53) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= -0.132 USER MOD Set 3.2: A 14 GLN : amide:sc= -0.532 K(o=-1.4,f=-0.29) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -0.701 K(o=-1.4,f=-0.29) USER MOD Single : A 8 THR OG1 : rot 163:sc= 0.613 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.17) USER MOD Single : A 19 HIS : no HD1:sc= -0.251 X(o=-0.25,f=0.01) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -8:sc= 0.67 USER MOD Single : A 39 TYR OH : rot -174:sc= 0.0226 USER MOD Single : A 42 THR OG1 : rot 56:sc= 0.778 USER MOD Single : A 43 TYR OH : rot -142:sc= 0.797 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0122 (180deg=-0.148) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 159:sc= 1.46 USER MOD Single : A 63 TYR OH : rot -164:sc= -0.234 USER MOD Single : A 65 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.076) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 76 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.32) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -0.0878 (180deg=-0.53) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0.654 (180deg=0.557) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.861 0.373 -4.110 1.00 2.31 N ATOM 19 CA ASP A 2 0.518 -0.936 -4.675 1.00 71.13 C ATOM 20 C ASP A 2 1.386 -1.248 -5.908 1.00 14.54 C ATOM 21 O ASP A 2 2.045 -0.359 -6.447 1.00 73.05 O ATOM 22 CB ASP A 2 -0.971 -0.951 -5.049 1.00 61.32 C ATOM 23 CG ASP A 2 -1.859 -0.731 -3.839 1.00 14.31 C ATOM 24 OD1 ASP A 2 -2.104 -1.699 -3.095 1.00 31.15 O ATOM 25 OD2 ASP A 2 -2.298 0.415 -3.610 1.00 50.21 O ATOM 0 HA ASP A 2 0.713 -1.706 -3.929 1.00 71.13 H new ATOM 0 HB2 ASP A 2 -1.167 -0.176 -5.790 1.00 61.32 H new ATOM 0 HB3 ASP A 2 -1.219 -1.905 -5.513 1.00 61.32 H new ATOM 30 N PRO A 3 1.408 -2.517 -6.371 1.00 54.25 N ATOM 31 CA PRO A 3 2.162 -2.909 -7.583 1.00 75.34 C ATOM 32 C PRO A 3 1.785 -2.087 -8.833 1.00 3.03 C ATOM 33 O PRO A 3 2.534 -2.047 -9.808 1.00 2.42 O ATOM 34 CB PRO A 3 1.773 -4.381 -7.783 1.00 62.12 C ATOM 35 CG PRO A 3 1.369 -4.860 -6.428 1.00 71.42 C ATOM 36 CD PRO A 3 0.735 -3.677 -5.744 1.00 54.12 C ATOM 0 HA PRO A 3 3.231 -2.738 -7.454 1.00 75.34 H new ATOM 0 HB2 PRO A 3 0.955 -4.480 -8.497 1.00 62.12 H new ATOM 0 HB3 PRO A 3 2.609 -4.961 -8.174 1.00 62.12 H new ATOM 0 HG2 PRO A 3 0.668 -5.691 -6.501 1.00 71.42 H new ATOM 0 HG3 PRO A 3 2.232 -5.219 -5.867 1.00 71.42 H new ATOM 0 HD2 PRO A 3 -0.343 -3.651 -5.904 1.00 54.12 H new ATOM 0 HD3 PRO A 3 0.897 -3.701 -4.666 1.00 54.12 H new ATOM 44 N GLU A 4 0.624 -1.433 -8.789 1.00 71.33 N ATOM 45 CA GLU A 4 0.113 -0.668 -9.936 1.00 2.41 C ATOM 46 C GLU A 4 0.769 0.726 -10.049 1.00 71.33 C ATOM 47 O GLU A 4 0.835 1.299 -11.138 1.00 74.33 O ATOM 48 CB GLU A 4 -1.415 -0.533 -9.829 1.00 3.11 C ATOM 49 CG GLU A 4 -2.141 -1.876 -9.749 1.00 52.04 C ATOM 50 CD GLU A 4 -3.656 -1.737 -9.696 1.00 33.54 C ATOM 51 OE1 GLU A 4 -4.211 -1.586 -8.586 1.00 2.44 O ATOM 52 OE2 GLU A 4 -4.305 -1.792 -10.761 1.00 72.21 O ATOM 0 H GLU A 4 0.015 -1.415 -7.971 1.00 71.33 H new ATOM 0 HA GLU A 4 0.371 -1.216 -10.842 1.00 2.41 H new ATOM 0 HB2 GLU A 4 -1.659 0.056 -8.945 1.00 3.11 H new ATOM 0 HB3 GLU A 4 -1.784 0.020 -10.693 1.00 3.11 H new ATOM 0 HG2 GLU A 4 -1.868 -2.481 -10.614 1.00 52.04 H new ATOM 0 HG3 GLU A 4 -1.801 -2.413 -8.864 1.00 52.04 H new ATOM 59 N ASP A 5 1.258 1.260 -8.927 1.00 53.21 N ATOM 60 CA ASP A 5 1.897 2.585 -8.907 1.00 61.13 C ATOM 61 C ASP A 5 3.160 2.635 -9.791 1.00 74.12 C ATOM 62 O ASP A 5 3.976 1.708 -9.774 1.00 23.43 O ATOM 63 CB ASP A 5 2.260 2.975 -7.471 1.00 4.24 C ATOM 64 CG ASP A 5 1.035 3.191 -6.607 1.00 3.35 C ATOM 65 OD1 ASP A 5 0.395 2.197 -6.217 1.00 63.23 O ATOM 66 OD2 ASP A 5 0.703 4.359 -6.319 1.00 22.51 O ATOM 0 H ASP A 5 1.225 0.798 -8.018 1.00 53.21 H new ATOM 0 HA ASP A 5 1.177 3.296 -9.313 1.00 61.13 H new ATOM 0 HB2 ASP A 5 2.880 2.194 -7.030 1.00 4.24 H new ATOM 0 HB3 ASP A 5 2.858 3.886 -7.484 1.00 4.24 H new ATOM 71 N PRO A 6 3.346 3.733 -10.564 1.00 40.22 N ATOM 72 CA PRO A 6 4.506 3.896 -11.461 1.00 30.01 C ATOM 73 C PRO A 6 5.852 3.695 -10.743 1.00 74.13 C ATOM 74 O PRO A 6 6.755 3.050 -11.277 1.00 63.35 O ATOM 75 CB PRO A 6 4.371 5.338 -11.991 1.00 21.41 C ATOM 76 CG PRO A 6 3.360 5.993 -11.106 1.00 2.31 C ATOM 77 CD PRO A 6 2.446 4.896 -10.631 1.00 74.31 C ATOM 0 HA PRO A 6 4.505 3.146 -12.252 1.00 30.01 H new ATOM 0 HB2 PRO A 6 5.326 5.862 -11.952 1.00 21.41 H new ATOM 0 HB3 PRO A 6 4.046 5.345 -13.031 1.00 21.41 H new ATOM 0 HG2 PRO A 6 3.843 6.490 -10.264 1.00 2.31 H new ATOM 0 HG3 PRO A 6 2.803 6.756 -11.649 1.00 2.31 H new ATOM 0 HD2 PRO A 6 2.008 5.126 -9.660 1.00 74.31 H new ATOM 0 HD3 PRO A 6 1.620 4.730 -11.322 1.00 74.31 H new ATOM 85 N PHE A 7 5.976 4.240 -9.533 1.00 24.30 N ATOM 86 CA PHE A 7 7.197 4.076 -8.737 1.00 24.40 C ATOM 87 C PHE A 7 7.457 2.597 -8.405 1.00 62.22 C ATOM 88 O PHE A 7 8.587 2.120 -8.498 1.00 72.35 O ATOM 89 CB PHE A 7 7.102 4.891 -7.440 1.00 71.21 C ATOM 90 CG PHE A 7 8.354 4.840 -6.594 1.00 0.14 C ATOM 91 CD1 PHE A 7 9.477 5.573 -6.953 1.00 64.40 C ATOM 92 CD2 PHE A 7 8.409 4.063 -5.444 1.00 2.41 C ATOM 93 CE1 PHE A 7 10.626 5.531 -6.185 1.00 70.44 C ATOM 94 CE2 PHE A 7 9.557 4.018 -4.673 1.00 34.30 C ATOM 95 CZ PHE A 7 10.666 4.753 -5.044 1.00 0.05 C ATOM 0 H PHE A 7 5.250 4.797 -9.082 1.00 24.30 H new ATOM 0 HA PHE A 7 8.032 4.443 -9.334 1.00 24.40 H new ATOM 0 HB2 PHE A 7 6.886 5.930 -7.690 1.00 71.21 H new ATOM 0 HB3 PHE A 7 6.262 4.523 -6.851 1.00 71.21 H new ATOM 0 HD1 PHE A 7 9.453 6.184 -7.843 1.00 64.40 H new ATOM 0 HD2 PHE A 7 7.545 3.487 -5.148 1.00 2.41 H new ATOM 0 HE1 PHE A 7 11.492 6.106 -6.477 1.00 70.44 H new ATOM 0 HE2 PHE A 7 9.586 3.409 -3.782 1.00 34.30 H new ATOM 0 HZ PHE A 7 11.563 4.720 -4.443 1.00 0.05 H new ATOM 105 N THR A 8 6.402 1.874 -8.028 1.00 45.23 N ATOM 106 CA THR A 8 6.530 0.459 -7.654 1.00 13.23 C ATOM 107 C THR A 8 6.993 -0.399 -8.839 1.00 53.43 C ATOM 108 O THR A 8 8.021 -1.071 -8.769 1.00 1.40 O ATOM 109 CB THR A 8 5.189 -0.112 -7.129 1.00 54.23 C ATOM 110 OG1 THR A 8 4.666 0.726 -6.087 1.00 43.43 O ATOM 111 CG2 THR A 8 5.362 -1.533 -6.598 1.00 65.24 C ATOM 0 H THR A 8 5.452 2.240 -7.973 1.00 45.23 H new ATOM 0 HA THR A 8 7.279 0.418 -6.863 1.00 13.23 H new ATOM 0 HB THR A 8 4.490 -0.136 -7.965 1.00 54.23 H new ATOM 0 HG1 THR A 8 3.717 0.522 -5.949 1.00 43.43 H new ATOM 0 HG21 THR A 8 4.403 -1.906 -6.237 1.00 65.24 H new ATOM 0 HG22 THR A 8 5.724 -2.179 -7.398 1.00 65.24 H new ATOM 0 HG23 THR A 8 6.082 -1.530 -5.780 1.00 65.24 H new ATOM 119 N ARG A 9 6.239 -0.353 -9.936 1.00 35.51 N ATOM 120 CA ARG A 9 6.580 -1.117 -11.149 1.00 53.42 C ATOM 121 C ARG A 9 7.967 -0.723 -11.696 1.00 4.30 C ATOM 122 O ARG A 9 8.670 -1.543 -12.290 1.00 22.23 O ATOM 123 CB ARG A 9 5.483 -0.928 -12.214 1.00 10.11 C ATOM 124 CG ARG A 9 5.092 0.529 -12.435 1.00 34.25 C ATOM 125 CD ARG A 9 3.696 0.681 -13.037 1.00 64.14 C ATOM 126 NE ARG A 9 3.637 0.341 -14.459 1.00 65.13 N ATOM 127 CZ ARG A 9 2.647 -0.310 -15.015 1.00 22.51 C ATOM 128 NH1 ARG A 9 1.730 -0.859 -14.289 1.00 60.30 N ATOM 129 NH2 ARG A 9 2.595 -0.442 -16.298 1.00 54.54 N ATOM 0 H ARG A 9 5.387 0.203 -10.016 1.00 35.51 H new ATOM 0 HA ARG A 9 6.632 -2.174 -10.886 1.00 53.42 H new ATOM 0 HB2 ARG A 9 5.828 -1.350 -13.158 1.00 10.11 H new ATOM 0 HB3 ARG A 9 4.599 -1.492 -11.917 1.00 10.11 H new ATOM 0 HG2 ARG A 9 5.133 1.060 -11.484 1.00 34.25 H new ATOM 0 HG3 ARG A 9 5.821 1.000 -13.095 1.00 34.25 H new ATOM 0 HD2 ARG A 9 3.001 0.044 -12.490 1.00 64.14 H new ATOM 0 HD3 ARG A 9 3.360 1.709 -12.902 1.00 64.14 H new ATOM 0 HE ARG A 9 4.415 0.629 -15.053 1.00 65.13 H new ATOM 0 HH11 ARG A 9 1.773 -0.787 -13.272 1.00 60.30 H new ATOM 0 HH12 ARG A 9 0.963 -1.364 -14.732 1.00 60.30 H new ATOM 0 HH21 ARG A 9 3.327 -0.038 -16.882 1.00 54.54 H new ATOM 0 HH22 ARG A 9 1.822 -0.950 -16.727 1.00 54.54 H new ATOM 143 N TYR A 10 8.362 0.532 -11.473 1.00 2.21 N ATOM 144 CA TYR A 10 9.715 0.994 -11.810 1.00 23.12 C ATOM 145 C TYR A 10 10.763 0.371 -10.869 1.00 63.43 C ATOM 146 O TYR A 10 11.841 -0.048 -11.303 1.00 0.13 O ATOM 147 CB TYR A 10 9.775 2.529 -11.730 1.00 54.13 C ATOM 148 CG TYR A 10 11.163 3.114 -11.935 1.00 52.11 C ATOM 149 CD1 TYR A 10 11.695 3.275 -13.211 1.00 35.43 C ATOM 150 CD2 TYR A 10 11.939 3.506 -10.848 1.00 13.24 C ATOM 151 CE1 TYR A 10 12.960 3.803 -13.396 1.00 50.51 C ATOM 152 CE2 TYR A 10 13.203 4.033 -11.026 1.00 75.54 C ATOM 153 CZ TYR A 10 13.709 4.181 -12.301 1.00 24.13 C ATOM 154 OH TYR A 10 14.971 4.704 -12.479 1.00 64.42 O ATOM 0 H TYR A 10 7.765 1.249 -11.060 1.00 2.21 H new ATOM 0 HA TYR A 10 9.945 0.676 -12.827 1.00 23.12 H new ATOM 0 HB2 TYR A 10 9.103 2.946 -12.480 1.00 54.13 H new ATOM 0 HB3 TYR A 10 9.401 2.845 -10.756 1.00 54.13 H new ATOM 0 HD1 TYR A 10 11.110 2.983 -14.071 1.00 35.43 H new ATOM 0 HD2 TYR A 10 11.546 3.396 -9.848 1.00 13.24 H new ATOM 0 HE1 TYR A 10 13.359 3.919 -14.393 1.00 50.51 H new ATOM 0 HE2 TYR A 10 13.793 4.328 -10.171 1.00 75.54 H new ATOM 0 HH TYR A 10 15.362 4.919 -11.607 1.00 64.42 H new ATOM 164 N ALA A 11 10.435 0.308 -9.579 1.00 64.01 N ATOM 165 CA ALA A 11 11.335 -0.264 -8.570 1.00 70.31 C ATOM 166 C ALA A 11 11.647 -1.741 -8.859 1.00 21.21 C ATOM 167 O ALA A 11 12.802 -2.170 -8.784 1.00 30.32 O ATOM 168 CB ALA A 11 10.731 -0.110 -7.178 1.00 41.22 C ATOM 0 H ALA A 11 9.549 0.647 -9.204 1.00 64.01 H new ATOM 0 HA ALA A 11 12.276 0.285 -8.614 1.00 70.31 H new ATOM 0 HB1 ALA A 11 11.408 -0.538 -6.438 1.00 41.22 H new ATOM 0 HB2 ALA A 11 10.579 0.948 -6.962 1.00 41.22 H new ATOM 0 HB3 ALA A 11 9.774 -0.629 -7.137 1.00 41.22 H new ATOM 174 N LEU A 12 10.611 -2.514 -9.193 1.00 43.02 N ATOM 175 CA LEU A 12 10.783 -3.929 -9.549 1.00 4.32 C ATOM 176 C LEU A 12 11.610 -4.087 -10.833 1.00 73.12 C ATOM 177 O LEU A 12 12.346 -5.066 -10.992 1.00 61.33 O ATOM 178 CB LEU A 12 9.420 -4.628 -9.702 1.00 63.44 C ATOM 179 CG LEU A 12 8.706 -5.005 -8.387 1.00 31.35 C ATOM 180 CD1 LEU A 12 9.592 -5.903 -7.529 1.00 74.31 C ATOM 181 CD2 LEU A 12 8.282 -3.767 -7.603 1.00 71.42 C ATOM 0 H LEU A 12 9.645 -2.187 -9.225 1.00 43.02 H new ATOM 0 HA LEU A 12 11.328 -4.406 -8.734 1.00 4.32 H new ATOM 0 HB2 LEU A 12 8.762 -3.977 -10.277 1.00 63.44 H new ATOM 0 HB3 LEU A 12 9.562 -5.535 -10.289 1.00 63.44 H new ATOM 0 HG LEU A 12 7.803 -5.556 -8.651 1.00 31.35 H new ATOM 0 HD11 LEU A 12 9.069 -6.156 -6.607 1.00 74.31 H new ATOM 0 HD12 LEU A 12 9.824 -6.816 -8.077 1.00 74.31 H new ATOM 0 HD13 LEU A 12 10.517 -5.379 -7.289 1.00 74.31 H new ATOM 0 HD21 LEU A 12 7.783 -4.072 -6.683 1.00 71.42 H new ATOM 0 HD22 LEU A 12 9.162 -3.172 -7.358 1.00 71.42 H new ATOM 0 HD23 LEU A 12 7.598 -3.171 -8.207 1.00 71.42 H new ATOM 193 N ALA A 13 11.489 -3.125 -11.752 1.00 35.25 N ATOM 194 CA ALA A 13 12.317 -3.116 -12.963 1.00 45.30 C ATOM 195 C ALA A 13 13.812 -3.084 -12.605 1.00 72.42 C ATOM 196 O ALA A 13 14.617 -3.829 -13.172 1.00 53.31 O ATOM 197 CB ALA A 13 11.948 -1.931 -13.853 1.00 52.32 C ATOM 0 H ALA A 13 10.832 -2.348 -11.683 1.00 35.25 H new ATOM 0 HA ALA A 13 12.124 -4.035 -13.516 1.00 45.30 H new ATOM 0 HB1 ALA A 13 12.572 -1.939 -14.747 1.00 52.32 H new ATOM 0 HB2 ALA A 13 10.899 -2.005 -14.141 1.00 52.32 H new ATOM 0 HB3 ALA A 13 12.109 -1.002 -13.307 1.00 52.32 H new ATOM 203 N GLN A 14 14.171 -2.233 -11.642 1.00 44.44 N ATOM 204 CA GLN A 14 15.552 -2.160 -11.150 1.00 13.23 C ATOM 205 C GLN A 14 15.986 -3.498 -10.527 1.00 24.31 C ATOM 206 O GLN A 14 17.093 -3.982 -10.773 1.00 3.24 O ATOM 207 CB GLN A 14 15.706 -1.033 -10.116 1.00 64.20 C ATOM 208 CG GLN A 14 15.279 0.346 -10.617 1.00 41.13 C ATOM 209 CD GLN A 14 15.618 1.459 -9.635 1.00 2.50 C ATOM 210 OE1 GLN A 14 15.689 1.243 -8.431 1.00 73.45 O ATOM 211 NE2 GLN A 14 15.823 2.661 -10.137 1.00 62.35 N ATOM 0 H GLN A 14 13.528 -1.585 -11.187 1.00 44.44 H new ATOM 0 HA GLN A 14 16.195 -1.946 -12.004 1.00 13.23 H new ATOM 0 HB2 GLN A 14 15.118 -1.284 -9.233 1.00 64.20 H new ATOM 0 HB3 GLN A 14 16.749 -0.985 -9.801 1.00 64.20 H new ATOM 0 HG2 GLN A 14 15.766 0.548 -11.571 1.00 41.13 H new ATOM 0 HG3 GLN A 14 14.205 0.344 -10.801 1.00 41.13 H new ATOM 0 HE21 GLN A 14 15.757 2.811 -11.144 1.00 62.35 H new ATOM 0 HE22 GLN A 14 16.047 3.440 -9.519 1.00 62.35 H new ATOM 220 N GLU A 15 15.101 -4.092 -9.723 1.00 53.52 N ATOM 221 CA GLU A 15 15.374 -5.390 -9.090 1.00 31.23 C ATOM 222 C GLU A 15 15.718 -6.465 -10.133 1.00 21.33 C ATOM 223 O GLU A 15 16.681 -7.217 -9.974 1.00 62.02 O ATOM 224 CB GLU A 15 14.169 -5.851 -8.259 1.00 42.44 C ATOM 225 CG GLU A 15 13.819 -4.919 -7.105 1.00 71.44 C ATOM 226 CD GLU A 15 14.976 -4.719 -6.137 1.00 52.22 C ATOM 227 OE1 GLU A 15 15.229 -5.620 -5.311 1.00 63.42 O ATOM 228 OE2 GLU A 15 15.635 -3.658 -6.199 1.00 62.10 O ATOM 0 H GLU A 15 14.189 -3.697 -9.493 1.00 53.52 H new ATOM 0 HA GLU A 15 16.235 -5.255 -8.435 1.00 31.23 H new ATOM 0 HB2 GLU A 15 13.303 -5.943 -8.914 1.00 42.44 H new ATOM 0 HB3 GLU A 15 14.374 -6.845 -7.861 1.00 42.44 H new ATOM 0 HG2 GLU A 15 13.514 -3.952 -7.505 1.00 71.44 H new ATOM 0 HG3 GLU A 15 12.964 -5.324 -6.564 1.00 71.44 H new ATOM 235 N HIS A 16 14.927 -6.530 -11.202 1.00 63.20 N ATOM 236 CA HIS A 16 15.162 -7.506 -12.270 1.00 22.10 C ATOM 237 C HIS A 16 16.530 -7.306 -12.942 1.00 11.43 C ATOM 238 O HIS A 16 17.206 -8.277 -13.277 1.00 44.24 O ATOM 239 CB HIS A 16 14.030 -7.460 -13.304 1.00 1.12 C ATOM 240 CG HIS A 16 12.763 -8.099 -12.818 1.00 71.15 C ATOM 241 ND1 HIS A 16 12.665 -9.447 -12.551 1.00 34.12 N ATOM 242 CD2 HIS A 16 11.541 -7.580 -12.551 1.00 12.40 C ATOM 243 CE1 HIS A 16 11.446 -9.728 -12.148 1.00 55.23 C ATOM 244 NE2 HIS A 16 10.743 -8.617 -12.137 1.00 12.04 N ATOM 0 H HIS A 16 14.121 -5.923 -11.354 1.00 63.20 H new ATOM 0 HA HIS A 16 15.172 -8.495 -11.812 1.00 22.10 H new ATOM 0 HB2 HIS A 16 13.828 -6.422 -13.567 1.00 1.12 H new ATOM 0 HB3 HIS A 16 14.357 -7.962 -14.215 1.00 1.12 H new ATOM 0 HD1 HIS A 16 13.422 -10.123 -12.651 1.00 34.12 H new ATOM 0 HD2 HIS A 16 11.249 -6.545 -12.646 1.00 12.40 H new ATOM 0 HE1 HIS A 16 11.083 -10.707 -11.872 1.00 55.23 H new ATOM 253 N LEU A 17 16.941 -6.054 -13.125 1.00 22.21 N ATOM 254 CA LEU A 17 18.282 -5.756 -13.648 1.00 64.40 C ATOM 255 C LEU A 17 19.374 -6.291 -12.705 1.00 23.11 C ATOM 256 O LEU A 17 20.447 -6.709 -13.150 1.00 11.32 O ATOM 257 CB LEU A 17 18.461 -4.241 -13.843 1.00 11.55 C ATOM 258 CG LEU A 17 17.598 -3.605 -14.947 1.00 0.21 C ATOM 259 CD1 LEU A 17 17.770 -2.088 -14.968 1.00 62.33 C ATOM 260 CD2 LEU A 17 17.940 -4.201 -16.311 1.00 45.42 C ATOM 0 H LEU A 17 16.373 -5.231 -12.922 1.00 22.21 H new ATOM 0 HA LEU A 17 18.381 -6.254 -14.613 1.00 64.40 H new ATOM 0 HB2 LEU A 17 18.237 -3.743 -12.900 1.00 11.55 H new ATOM 0 HB3 LEU A 17 19.509 -4.043 -14.067 1.00 11.55 H new ATOM 0 HG LEU A 17 16.554 -3.826 -14.727 1.00 0.21 H new ATOM 0 HD11 LEU A 17 17.150 -1.662 -15.757 1.00 62.33 H new ATOM 0 HD12 LEU A 17 17.468 -1.674 -14.006 1.00 62.33 H new ATOM 0 HD13 LEU A 17 18.815 -1.843 -15.156 1.00 62.33 H new ATOM 0 HD21 LEU A 17 17.318 -3.737 -17.077 1.00 45.42 H new ATOM 0 HD22 LEU A 17 18.991 -4.017 -16.536 1.00 45.42 H new ATOM 0 HD23 LEU A 17 17.756 -5.275 -16.295 1.00 45.42 H new ATOM 272 N LYS A 18 19.090 -6.266 -11.404 1.00 15.11 N ATOM 273 CA LYS A 18 20.018 -6.778 -10.388 1.00 11.23 C ATOM 274 C LYS A 18 20.065 -8.316 -10.387 1.00 71.25 C ATOM 275 O LYS A 18 21.091 -8.915 -10.072 1.00 2.52 O ATOM 276 CB LYS A 18 19.597 -6.288 -8.995 1.00 13.21 C ATOM 277 CG LYS A 18 19.490 -4.772 -8.875 1.00 20.55 C ATOM 278 CD LYS A 18 18.902 -4.352 -7.529 1.00 42.15 C ATOM 279 CE LYS A 18 18.731 -2.839 -7.427 1.00 21.43 C ATOM 280 NZ LYS A 18 18.113 -2.435 -6.137 1.00 25.32 N ATOM 0 H LYS A 18 18.220 -5.895 -11.023 1.00 15.11 H new ATOM 0 HA LYS A 18 21.011 -6.402 -10.633 1.00 11.23 H new ATOM 0 HB2 LYS A 18 18.634 -6.731 -8.742 1.00 13.21 H new ATOM 0 HB3 LYS A 18 20.317 -6.650 -8.261 1.00 13.21 H new ATOM 0 HG2 LYS A 18 20.478 -4.327 -8.996 1.00 20.55 H new ATOM 0 HG3 LYS A 18 18.866 -4.386 -9.681 1.00 20.55 H new ATOM 0 HD2 LYS A 18 17.936 -4.836 -7.389 1.00 42.15 H new ATOM 0 HD3 LYS A 18 19.552 -4.698 -6.725 1.00 42.15 H new ATOM 0 HE2 LYS A 18 19.703 -2.356 -7.530 1.00 21.43 H new ATOM 0 HE3 LYS A 18 18.111 -2.488 -8.252 1.00 21.43 H new ATOM 0 HZ1 LYS A 18 17.813 -1.441 -6.192 1.00 25.32 H new ATOM 0 HZ2 LYS A 18 17.286 -3.036 -5.945 1.00 25.32 H new ATOM 0 HZ3 LYS A 18 18.807 -2.545 -5.370 1.00 25.32 H new ATOM 294 N HIS A 19 18.942 -8.947 -10.732 1.00 1.44 N ATOM 295 CA HIS A 19 18.824 -10.412 -10.680 1.00 73.12 C ATOM 296 C HIS A 19 18.755 -11.050 -12.084 1.00 43.33 C ATOM 297 O HIS A 19 17.837 -11.818 -12.372 1.00 15.44 O ATOM 298 CB HIS A 19 17.578 -10.813 -9.874 1.00 55.03 C ATOM 299 CG HIS A 19 17.553 -10.284 -8.469 1.00 52.35 C ATOM 300 ND1 HIS A 19 18.384 -10.747 -7.473 1.00 2.45 N ATOM 301 CD2 HIS A 19 16.779 -9.332 -7.892 1.00 14.54 C ATOM 302 CE1 HIS A 19 18.123 -10.108 -6.350 1.00 73.54 C ATOM 303 NE2 HIS A 19 17.155 -9.244 -6.575 1.00 32.23 N ATOM 0 H HIS A 19 18.099 -8.470 -11.051 1.00 1.44 H new ATOM 0 HA HIS A 19 19.724 -10.786 -10.192 1.00 73.12 H new ATOM 0 HB2 HIS A 19 16.691 -10.459 -10.399 1.00 55.03 H new ATOM 0 HB3 HIS A 19 17.516 -11.901 -9.841 1.00 55.03 H new ATOM 0 HD2 HIS A 19 16.010 -8.751 -8.378 1.00 14.54 H new ATOM 0 HE1 HIS A 19 18.620 -10.266 -5.404 1.00 73.54 H new ATOM 0 HE2 HIS A 19 16.751 -8.613 -5.883 1.00 32.23 H new ATOM 312 N ASP A 20 19.712 -10.715 -12.958 1.00 43.34 N ATOM 313 CA ASP A 20 19.865 -11.392 -14.267 1.00 23.11 C ATOM 314 C ASP A 20 18.692 -11.130 -15.254 1.00 54.13 C ATOM 315 O ASP A 20 18.813 -11.393 -16.455 1.00 44.30 O ATOM 316 CB ASP A 20 20.048 -12.906 -14.033 1.00 32.24 C ATOM 317 CG ASP A 20 20.134 -13.712 -15.319 1.00 34.02 C ATOM 318 OD1 ASP A 20 21.181 -13.654 -15.995 1.00 10.23 O ATOM 319 OD2 ASP A 20 19.160 -14.427 -15.649 1.00 13.24 O ATOM 0 H ASP A 20 20.397 -9.979 -12.789 1.00 43.34 H new ATOM 0 HA ASP A 20 20.747 -10.967 -14.745 1.00 23.11 H new ATOM 0 HB2 ASP A 20 20.955 -13.069 -13.450 1.00 32.24 H new ATOM 0 HB3 ASP A 20 19.215 -13.277 -13.436 1.00 32.24 H new ATOM 324 N ASN A 21 17.583 -10.576 -14.770 1.00 73.23 N ATOM 325 CA ASN A 21 16.360 -10.447 -15.576 1.00 11.11 C ATOM 326 C ASN A 21 16.336 -9.136 -16.378 1.00 32.22 C ATOM 327 O ASN A 21 15.332 -8.418 -16.387 1.00 10.43 O ATOM 328 CB ASN A 21 15.129 -10.525 -14.665 1.00 14.12 C ATOM 329 CG ASN A 21 14.981 -11.863 -13.963 1.00 1.52 C ATOM 330 OD1 ASN A 21 14.492 -11.930 -12.840 1.00 4.14 O ATOM 331 ND2 ASN A 21 15.361 -12.937 -14.624 1.00 71.52 N ATOM 0 H ASN A 21 17.501 -10.207 -13.823 1.00 73.23 H new ATOM 0 HA ASN A 21 16.345 -11.270 -16.291 1.00 11.11 H new ATOM 0 HB2 ASN A 21 15.190 -9.735 -13.916 1.00 14.12 H new ATOM 0 HB3 ASN A 21 14.235 -10.334 -15.258 1.00 14.12 H new ATOM 0 HD21 ASN A 21 15.252 -13.860 -14.203 1.00 71.52 H new ATOM 0 HD22 ASN A 21 15.764 -12.846 -15.557 1.00 71.52 H new ATOM 338 N ALA A 22 17.431 -8.847 -17.076 1.00 20.51 N ATOM 339 CA ALA A 22 17.539 -7.629 -17.891 1.00 54.13 C ATOM 340 C ALA A 22 16.418 -7.540 -18.940 1.00 2.21 C ATOM 341 O ALA A 22 15.796 -6.494 -19.113 1.00 11.04 O ATOM 342 CB ALA A 22 18.903 -7.567 -18.570 1.00 34.22 C ATOM 0 H ALA A 22 18.262 -9.439 -17.097 1.00 20.51 H new ATOM 0 HA ALA A 22 17.431 -6.776 -17.222 1.00 54.13 H new ATOM 0 HB1 ALA A 22 18.970 -6.660 -19.171 1.00 34.22 H new ATOM 0 HB2 ALA A 22 19.687 -7.559 -17.812 1.00 34.22 H new ATOM 0 HB3 ALA A 22 19.029 -8.438 -19.213 1.00 34.22 H new ATOM 348 N SER A 23 16.158 -8.653 -19.622 1.00 71.14 N ATOM 349 CA SER A 23 15.114 -8.714 -20.659 1.00 21.14 C ATOM 350 C SER A 23 13.710 -8.526 -20.061 1.00 30.41 C ATOM 351 O SER A 23 12.823 -7.954 -20.698 1.00 34.14 O ATOM 352 CB SER A 23 15.189 -10.056 -21.397 1.00 2.12 C ATOM 353 OG SER A 23 14.267 -10.128 -22.478 1.00 11.23 O ATOM 0 H SER A 23 16.655 -9.532 -19.479 1.00 71.14 H new ATOM 0 HA SER A 23 15.292 -7.899 -21.360 1.00 21.14 H new ATOM 0 HB2 SER A 23 16.201 -10.205 -21.774 1.00 2.12 H new ATOM 0 HB3 SER A 23 14.988 -10.866 -20.696 1.00 2.12 H new ATOM 0 HG SER A 23 14.350 -10.998 -22.921 1.00 11.23 H new ATOM 359 N ARG A 24 13.512 -9.019 -18.838 1.00 45.13 N ATOM 360 CA ARG A 24 12.235 -8.845 -18.135 1.00 35.01 C ATOM 361 C ARG A 24 12.057 -7.392 -17.676 1.00 10.40 C ATOM 362 O ARG A 24 10.963 -6.834 -17.749 1.00 34.34 O ATOM 363 CB ARG A 24 12.145 -9.798 -16.935 1.00 13.42 C ATOM 364 CG ARG A 24 11.971 -11.265 -17.323 1.00 42.42 C ATOM 365 CD ARG A 24 10.674 -11.483 -18.097 1.00 22.51 C ATOM 366 NE ARG A 24 10.419 -12.892 -18.390 1.00 55.05 N ATOM 367 CZ ARG A 24 9.234 -13.376 -18.659 1.00 64.20 C ATOM 368 NH1 ARG A 24 8.198 -12.601 -18.686 1.00 54.41 N ATOM 369 NH2 ARG A 24 9.085 -14.637 -18.897 1.00 32.10 N ATOM 0 H ARG A 24 14.214 -9.540 -18.313 1.00 45.13 H new ATOM 0 HA ARG A 24 11.431 -9.085 -18.831 1.00 35.01 H new ATOM 0 HB2 ARG A 24 13.048 -9.696 -16.334 1.00 13.42 H new ATOM 0 HB3 ARG A 24 11.307 -9.497 -16.306 1.00 13.42 H new ATOM 0 HG2 ARG A 24 12.818 -11.586 -17.930 1.00 42.42 H new ATOM 0 HG3 ARG A 24 11.970 -11.883 -16.425 1.00 42.42 H new ATOM 0 HD2 ARG A 24 9.841 -11.080 -17.522 1.00 22.51 H new ATOM 0 HD3 ARG A 24 10.716 -10.924 -19.032 1.00 22.51 H new ATOM 0 HE ARG A 24 11.211 -13.535 -18.384 1.00 55.05 H new ATOM 0 HH11 ARG A 24 8.302 -11.604 -18.497 1.00 54.41 H new ATOM 0 HH12 ARG A 24 7.278 -12.987 -18.897 1.00 54.41 H new ATOM 0 HH21 ARG A 24 9.893 -15.259 -18.876 1.00 32.10 H new ATOM 0 HH22 ARG A 24 8.159 -15.011 -19.106 1.00 32.10 H new ATOM 383 N ALA A 25 13.147 -6.783 -17.212 1.00 2.13 N ATOM 384 CA ALA A 25 13.140 -5.365 -16.844 1.00 43.42 C ATOM 385 C ALA A 25 12.856 -4.492 -18.071 1.00 54.24 C ATOM 386 O ALA A 25 12.108 -3.520 -17.995 1.00 62.41 O ATOM 387 CB ALA A 25 14.467 -4.976 -16.207 1.00 2.23 C ATOM 0 H ALA A 25 14.046 -7.247 -17.081 1.00 2.13 H new ATOM 0 HA ALA A 25 12.346 -5.201 -16.116 1.00 43.42 H new ATOM 0 HB1 ALA A 25 14.446 -3.920 -15.939 1.00 2.23 H new ATOM 0 HB2 ALA A 25 14.630 -5.574 -15.311 1.00 2.23 H new ATOM 0 HB3 ALA A 25 15.277 -5.155 -16.915 1.00 2.23 H new ATOM 393 N LEU A 26 13.457 -4.863 -19.204 1.00 50.43 N ATOM 394 CA LEU A 26 13.206 -4.191 -20.485 1.00 70.51 C ATOM 395 C LEU A 26 11.701 -4.100 -20.768 1.00 23.41 C ATOM 396 O LEU A 26 11.172 -3.023 -21.053 1.00 24.40 O ATOM 397 CB LEU A 26 13.910 -4.957 -21.617 1.00 12.43 C ATOM 398 CG LEU A 26 13.719 -4.388 -23.035 1.00 41.44 C ATOM 399 CD1 LEU A 26 14.299 -2.980 -23.141 1.00 72.22 C ATOM 400 CD2 LEU A 26 14.354 -5.313 -24.071 1.00 0.32 C ATOM 0 H LEU A 26 14.126 -5.631 -19.262 1.00 50.43 H new ATOM 0 HA LEU A 26 13.604 -3.178 -20.430 1.00 70.51 H new ATOM 0 HB2 LEU A 26 14.978 -4.987 -21.400 1.00 12.43 H new ATOM 0 HB3 LEU A 26 13.554 -5.987 -21.609 1.00 12.43 H new ATOM 0 HG LEU A 26 12.649 -4.327 -23.236 1.00 41.44 H new ATOM 0 HD11 LEU A 26 14.151 -2.601 -24.152 1.00 72.22 H new ATOM 0 HD12 LEU A 26 13.795 -2.325 -22.430 1.00 72.22 H new ATOM 0 HD13 LEU A 26 15.365 -3.008 -22.916 1.00 72.22 H new ATOM 0 HD21 LEU A 26 14.210 -4.896 -25.068 1.00 0.32 H new ATOM 0 HD22 LEU A 26 15.421 -5.408 -23.868 1.00 0.32 H new ATOM 0 HD23 LEU A 26 13.885 -6.296 -24.017 1.00 0.32 H new ATOM 412 N ALA A 27 11.018 -5.238 -20.658 1.00 10.12 N ATOM 413 CA ALA A 27 9.567 -5.299 -20.848 1.00 55.12 C ATOM 414 C ALA A 27 8.826 -4.376 -19.864 1.00 45.42 C ATOM 415 O ALA A 27 7.820 -3.759 -20.217 1.00 21.11 O ATOM 416 CB ALA A 27 9.078 -6.735 -20.699 1.00 52.22 C ATOM 0 H ALA A 27 11.448 -6.136 -20.437 1.00 10.12 H new ATOM 0 HA ALA A 27 9.348 -4.949 -21.857 1.00 55.12 H new ATOM 0 HB1 ALA A 27 7.998 -6.768 -20.842 1.00 52.22 H new ATOM 0 HB2 ALA A 27 9.563 -7.364 -21.446 1.00 52.22 H new ATOM 0 HB3 ALA A 27 9.323 -7.101 -19.702 1.00 52.22 H new ATOM 422 N LEU A 28 9.329 -4.285 -18.630 1.00 64.34 N ATOM 423 CA LEU A 28 8.736 -3.405 -17.614 1.00 43.33 C ATOM 424 C LEU A 28 8.934 -1.920 -17.963 1.00 73.33 C ATOM 425 O LEU A 28 8.020 -1.114 -17.803 1.00 2.33 O ATOM 426 CB LEU A 28 9.320 -3.707 -16.226 1.00 12.52 C ATOM 427 CG LEU A 28 8.971 -5.094 -15.654 1.00 63.14 C ATOM 428 CD1 LEU A 28 9.627 -5.297 -14.292 1.00 72.22 C ATOM 429 CD2 LEU A 28 7.456 -5.271 -15.549 1.00 61.14 C ATOM 0 H LEU A 28 10.144 -4.808 -18.309 1.00 64.34 H new ATOM 0 HA LEU A 28 7.665 -3.604 -17.597 1.00 43.33 H new ATOM 0 HB2 LEU A 28 10.405 -3.616 -16.279 1.00 12.52 H new ATOM 0 HB3 LEU A 28 8.970 -2.946 -15.529 1.00 12.52 H new ATOM 0 HG LEU A 28 9.358 -5.849 -16.338 1.00 63.14 H new ATOM 0 HD11 LEU A 28 9.367 -6.283 -13.906 1.00 72.22 H new ATOM 0 HD12 LEU A 28 10.710 -5.221 -14.395 1.00 72.22 H new ATOM 0 HD13 LEU A 28 9.274 -4.532 -13.600 1.00 72.22 H new ATOM 0 HD21 LEU A 28 7.232 -6.257 -15.143 1.00 61.14 H new ATOM 0 HD22 LEU A 28 7.045 -4.506 -14.891 1.00 61.14 H new ATOM 0 HD23 LEU A 28 7.009 -5.176 -16.539 1.00 61.14 H new ATOM 441 N PHE A 29 10.126 -1.560 -18.442 1.00 22.13 N ATOM 442 CA PHE A 29 10.391 -0.183 -18.885 1.00 2.32 C ATOM 443 C PHE A 29 9.476 0.204 -20.057 1.00 4.41 C ATOM 444 O PHE A 29 8.921 1.303 -20.089 1.00 53.23 O ATOM 445 CB PHE A 29 11.863 0.000 -19.282 1.00 25.55 C ATOM 446 CG PHE A 29 12.821 -0.027 -18.114 1.00 35.23 C ATOM 447 CD1 PHE A 29 12.778 0.967 -17.146 1.00 10.13 C ATOM 448 CD2 PHE A 29 13.759 -1.041 -17.983 1.00 24.10 C ATOM 449 CE1 PHE A 29 13.650 0.947 -16.072 1.00 30.05 C ATOM 450 CE2 PHE A 29 14.632 -1.065 -16.911 1.00 20.34 C ATOM 451 CZ PHE A 29 14.579 -0.070 -15.955 1.00 50.52 C ATOM 0 H PHE A 29 10.920 -2.194 -18.534 1.00 22.13 H new ATOM 0 HA PHE A 29 10.177 0.477 -18.044 1.00 2.32 H new ATOM 0 HB2 PHE A 29 12.140 -0.786 -19.984 1.00 25.55 H new ATOM 0 HB3 PHE A 29 11.972 0.949 -19.807 1.00 25.55 H new ATOM 0 HD1 PHE A 29 12.056 1.765 -17.232 1.00 10.13 H new ATOM 0 HD2 PHE A 29 13.808 -1.822 -18.728 1.00 24.10 H new ATOM 0 HE1 PHE A 29 13.605 1.726 -15.325 1.00 30.05 H new ATOM 0 HE2 PHE A 29 15.355 -1.862 -16.821 1.00 20.34 H new ATOM 0 HZ PHE A 29 15.261 -0.086 -15.118 1.00 50.52 H new ATOM 461 N GLU A 30 9.318 -0.707 -21.014 1.00 5.04 N ATOM 462 CA GLU A 30 8.373 -0.511 -22.121 1.00 34.44 C ATOM 463 C GLU A 30 6.931 -0.417 -21.587 1.00 2.42 C ATOM 464 O GLU A 30 6.134 0.406 -22.043 1.00 4.52 O ATOM 465 CB GLU A 30 8.500 -1.664 -23.128 1.00 62.13 C ATOM 466 CG GLU A 30 9.891 -1.790 -23.746 1.00 55.21 C ATOM 467 CD GLU A 30 10.008 -2.957 -24.716 1.00 33.42 C ATOM 468 OE1 GLU A 30 10.186 -4.105 -24.259 1.00 40.51 O ATOM 469 OE2 GLU A 30 9.928 -2.731 -25.945 1.00 45.11 O ATOM 0 H GLU A 30 9.829 -1.589 -21.049 1.00 5.04 H new ATOM 0 HA GLU A 30 8.612 0.425 -22.627 1.00 34.44 H new ATOM 0 HB2 GLU A 30 8.248 -2.600 -22.629 1.00 62.13 H new ATOM 0 HB3 GLU A 30 7.770 -1.521 -23.925 1.00 62.13 H new ATOM 0 HG2 GLU A 30 10.136 -0.865 -24.268 1.00 55.21 H new ATOM 0 HG3 GLU A 30 10.626 -1.911 -22.950 1.00 55.21 H new ATOM 476 N GLU A 31 6.623 -1.263 -20.603 1.00 41.15 N ATOM 477 CA GLU A 31 5.337 -1.225 -19.889 1.00 14.12 C ATOM 478 C GLU A 31 5.128 0.147 -19.210 1.00 42.24 C ATOM 479 O GLU A 31 4.005 0.641 -19.098 1.00 21.32 O ATOM 480 CB GLU A 31 5.306 -2.364 -18.852 1.00 34.35 C ATOM 481 CG GLU A 31 4.093 -2.382 -17.922 1.00 60.25 C ATOM 482 CD GLU A 31 2.776 -2.678 -18.627 1.00 52.23 C ATOM 483 OE1 GLU A 31 2.564 -3.840 -19.034 1.00 34.10 O ATOM 484 OE2 GLU A 31 1.938 -1.761 -18.756 1.00 41.43 O ATOM 0 H GLU A 31 7.254 -1.994 -20.276 1.00 41.15 H new ATOM 0 HA GLU A 31 4.523 -1.364 -20.600 1.00 14.12 H new ATOM 0 HB2 GLU A 31 5.348 -3.315 -19.383 1.00 34.35 H new ATOM 0 HB3 GLU A 31 6.207 -2.300 -18.242 1.00 34.35 H new ATOM 0 HG2 GLU A 31 4.254 -3.130 -17.146 1.00 60.25 H new ATOM 0 HG3 GLU A 31 4.017 -1.416 -17.422 1.00 60.25 H new ATOM 491 N LEU A 32 6.223 0.763 -18.762 1.00 71.42 N ATOM 492 CA LEU A 32 6.175 2.123 -18.213 1.00 34.53 C ATOM 493 C LEU A 32 5.849 3.149 -19.308 1.00 34.35 C ATOM 494 O LEU A 32 4.927 3.950 -19.163 1.00 15.30 O ATOM 495 CB LEU A 32 7.508 2.492 -17.544 1.00 51.23 C ATOM 496 CG LEU A 32 7.885 1.653 -16.315 1.00 12.55 C ATOM 497 CD1 LEU A 32 9.230 2.090 -15.749 1.00 60.41 C ATOM 498 CD2 LEU A 32 6.804 1.750 -15.250 1.00 34.53 C ATOM 0 H LEU A 32 7.153 0.344 -18.768 1.00 71.42 H new ATOM 0 HA LEU A 32 5.384 2.144 -17.464 1.00 34.53 H new ATOM 0 HB2 LEU A 32 8.303 2.399 -18.283 1.00 51.23 H new ATOM 0 HB3 LEU A 32 7.468 3.540 -17.248 1.00 51.23 H new ATOM 0 HG LEU A 32 7.970 0.613 -16.630 1.00 12.55 H new ATOM 0 HD11 LEU A 32 9.474 1.480 -14.879 1.00 60.41 H new ATOM 0 HD12 LEU A 32 10.002 1.965 -16.508 1.00 60.41 H new ATOM 0 HD13 LEU A 32 9.177 3.138 -15.454 1.00 60.41 H new ATOM 0 HD21 LEU A 32 7.089 1.149 -14.387 1.00 34.53 H new ATOM 0 HD22 LEU A 32 6.686 2.790 -14.945 1.00 34.53 H new ATOM 0 HD23 LEU A 32 5.861 1.381 -15.654 1.00 34.53 H new ATOM 510 N VAL A 33 6.600 3.101 -20.409 1.00 12.04 N ATOM 511 CA VAL A 33 6.438 4.056 -21.517 1.00 13.51 C ATOM 512 C VAL A 33 4.999 4.073 -22.068 1.00 43.03 C ATOM 513 O VAL A 33 4.467 5.134 -22.404 1.00 32.44 O ATOM 514 CB VAL A 33 7.421 3.741 -22.676 1.00 32.23 C ATOM 515 CG1 VAL A 33 7.250 4.728 -23.833 1.00 13.43 C ATOM 516 CG2 VAL A 33 8.865 3.751 -22.175 1.00 0.52 C ATOM 0 H VAL A 33 7.332 2.408 -20.562 1.00 12.04 H new ATOM 0 HA VAL A 33 6.661 5.040 -21.106 1.00 13.51 H new ATOM 0 HB VAL A 33 7.188 2.743 -23.048 1.00 32.23 H new ATOM 0 HG11 VAL A 33 7.952 4.481 -24.629 1.00 13.43 H new ATOM 0 HG12 VAL A 33 6.231 4.667 -24.216 1.00 13.43 H new ATOM 0 HG13 VAL A 33 7.444 5.741 -23.479 1.00 13.43 H new ATOM 0 HG21 VAL A 33 9.539 3.528 -23.002 1.00 0.52 H new ATOM 0 HG22 VAL A 33 9.102 4.734 -21.769 1.00 0.52 H new ATOM 0 HG23 VAL A 33 8.985 2.998 -21.396 1.00 0.52 H new ATOM 526 N GLU A 34 4.369 2.900 -22.161 1.00 54.35 N ATOM 527 CA GLU A 34 2.995 2.808 -22.673 1.00 43.54 C ATOM 528 C GLU A 34 1.973 3.371 -21.665 1.00 32.21 C ATOM 529 O GLU A 34 0.970 3.972 -22.055 1.00 70.35 O ATOM 530 CB GLU A 34 2.641 1.355 -23.033 1.00 21.34 C ATOM 531 CG GLU A 34 2.611 0.398 -21.845 1.00 60.24 C ATOM 532 CD GLU A 34 2.241 -1.023 -22.242 1.00 52.14 C ATOM 533 OE1 GLU A 34 1.031 -1.334 -22.302 1.00 43.54 O ATOM 534 OE2 GLU A 34 3.154 -1.831 -22.511 1.00 71.51 O ATOM 0 H GLU A 34 4.781 2.007 -21.892 1.00 54.35 H new ATOM 0 HA GLU A 34 2.945 3.416 -23.576 1.00 43.54 H new ATOM 0 HB2 GLU A 34 1.665 1.342 -23.519 1.00 21.34 H new ATOM 0 HB3 GLU A 34 3.364 0.988 -23.761 1.00 21.34 H new ATOM 0 HG2 GLU A 34 3.589 0.393 -21.364 1.00 60.24 H new ATOM 0 HG3 GLU A 34 1.895 0.763 -21.108 1.00 60.24 H new ATOM 541 N THR A 35 2.225 3.172 -20.368 1.00 42.24 N ATOM 542 CA THR A 35 1.327 3.690 -19.319 1.00 55.43 C ATOM 543 C THR A 35 1.592 5.168 -18.998 1.00 24.24 C ATOM 544 O THR A 35 0.700 5.877 -18.523 1.00 51.31 O ATOM 545 CB THR A 35 1.442 2.876 -18.007 1.00 24.51 C ATOM 546 OG1 THR A 35 2.792 2.903 -17.507 1.00 61.31 O ATOM 547 CG2 THR A 35 1.003 1.432 -18.224 1.00 34.43 C ATOM 0 H THR A 35 3.035 2.661 -20.016 1.00 42.24 H new ATOM 0 HA THR A 35 0.320 3.589 -19.725 1.00 55.43 H new ATOM 0 HB THR A 35 0.783 3.337 -17.271 1.00 24.51 H new ATOM 0 HG1 THR A 35 3.378 3.327 -18.169 1.00 61.31 H new ATOM 0 HG21 THR A 35 1.093 0.880 -17.288 1.00 34.43 H new ATOM 0 HG22 THR A 35 -0.034 1.413 -18.558 1.00 34.43 H new ATOM 0 HG23 THR A 35 1.636 0.969 -18.981 1.00 34.43 H new ATOM 555 N ASP A 36 2.815 5.627 -19.250 1.00 33.14 N ATOM 556 CA ASP A 36 3.203 7.012 -18.964 1.00 2.32 C ATOM 557 C ASP A 36 4.435 7.429 -19.795 1.00 14.00 C ATOM 558 O ASP A 36 5.572 7.108 -19.442 1.00 51.24 O ATOM 559 CB ASP A 36 3.495 7.181 -17.464 1.00 41.11 C ATOM 560 CG ASP A 36 3.630 8.640 -17.059 1.00 63.31 C ATOM 561 OD1 ASP A 36 4.732 9.205 -17.197 1.00 52.24 O ATOM 562 OD2 ASP A 36 2.627 9.231 -16.603 1.00 12.20 O ATOM 0 H ASP A 36 3.560 5.059 -19.654 1.00 33.14 H new ATOM 0 HA ASP A 36 2.372 7.660 -19.242 1.00 2.32 H new ATOM 0 HB2 ASP A 36 2.694 6.719 -16.887 1.00 41.11 H new ATOM 0 HB3 ASP A 36 4.414 6.651 -17.214 1.00 41.11 H new ATOM 567 N PRO A 37 4.225 8.149 -20.915 1.00 52.45 N ATOM 568 CA PRO A 37 5.323 8.627 -21.772 1.00 74.43 C ATOM 569 C PRO A 37 5.962 9.934 -21.264 1.00 21.13 C ATOM 570 O PRO A 37 6.653 10.634 -22.011 1.00 52.34 O ATOM 571 CB PRO A 37 4.619 8.857 -23.113 1.00 41.10 C ATOM 572 CG PRO A 37 3.233 9.266 -22.737 1.00 71.50 C ATOM 573 CD PRO A 37 2.905 8.546 -21.447 1.00 20.22 C ATOM 0 HA PRO A 37 6.152 7.920 -21.810 1.00 74.43 H new ATOM 0 HB2 PRO A 37 5.118 9.631 -23.696 1.00 41.10 H new ATOM 0 HB3 PRO A 37 4.616 7.952 -23.721 1.00 41.10 H new ATOM 0 HG2 PRO A 37 3.170 10.346 -22.605 1.00 71.50 H new ATOM 0 HG3 PRO A 37 2.524 8.999 -23.521 1.00 71.50 H new ATOM 0 HD2 PRO A 37 2.373 9.195 -20.752 1.00 20.22 H new ATOM 0 HD3 PRO A 37 2.269 7.679 -21.624 1.00 20.22 H new ATOM 581 N ASP A 38 5.729 10.258 -19.993 1.00 75.01 N ATOM 582 CA ASP A 38 6.242 11.494 -19.391 1.00 33.42 C ATOM 583 C ASP A 38 7.362 11.216 -18.376 1.00 75.02 C ATOM 584 O ASP A 38 8.249 12.048 -18.171 1.00 65.13 O ATOM 585 CB ASP A 38 5.096 12.234 -18.700 1.00 30.14 C ATOM 586 CG ASP A 38 3.914 12.447 -19.626 1.00 65.11 C ATOM 587 OD1 ASP A 38 3.870 13.486 -20.313 1.00 43.21 O ATOM 588 OD2 ASP A 38 3.026 11.574 -19.674 1.00 64.23 O ATOM 0 H ASP A 38 5.185 9.679 -19.354 1.00 75.01 H new ATOM 0 HA ASP A 38 6.663 12.107 -20.188 1.00 33.42 H new ATOM 0 HB2 ASP A 38 4.774 11.668 -17.826 1.00 30.14 H new ATOM 0 HB3 ASP A 38 5.453 13.199 -18.340 1.00 30.14 H new ATOM 593 N TYR A 39 7.306 10.051 -17.734 1.00 23.10 N ATOM 594 CA TYR A 39 8.271 9.681 -16.693 1.00 34.02 C ATOM 595 C TYR A 39 9.708 9.603 -17.246 1.00 53.12 C ATOM 596 O TYR A 39 10.142 8.573 -17.770 1.00 4.32 O ATOM 597 CB TYR A 39 7.846 8.353 -16.043 1.00 60.13 C ATOM 598 CG TYR A 39 8.645 7.966 -14.809 1.00 64.24 C ATOM 599 CD1 TYR A 39 9.040 8.922 -13.878 1.00 45.22 C ATOM 600 CD2 TYR A 39 8.977 6.638 -14.561 1.00 5.50 C ATOM 601 CE1 TYR A 39 9.749 8.567 -12.747 1.00 35.23 C ATOM 602 CE2 TYR A 39 9.686 6.277 -13.432 1.00 64.22 C ATOM 603 CZ TYR A 39 10.069 7.244 -12.527 1.00 22.21 C ATOM 604 OH TYR A 39 10.776 6.888 -11.400 1.00 70.45 O ATOM 0 H TYR A 39 6.598 9.340 -17.916 1.00 23.10 H new ATOM 0 HA TYR A 39 8.273 10.461 -15.932 1.00 34.02 H new ATOM 0 HB2 TYR A 39 6.792 8.418 -15.771 1.00 60.13 H new ATOM 0 HB3 TYR A 39 7.936 7.557 -16.782 1.00 60.13 H new ATOM 0 HD1 TYR A 39 8.788 9.959 -14.043 1.00 45.22 H new ATOM 0 HD2 TYR A 39 8.675 5.876 -15.264 1.00 5.50 H new ATOM 0 HE1 TYR A 39 10.052 9.323 -12.038 1.00 35.23 H new ATOM 0 HE2 TYR A 39 9.939 5.242 -13.259 1.00 64.22 H new ATOM 0 HH TYR A 39 10.996 5.934 -11.440 1.00 70.45 H new ATOM 614 N VAL A 40 10.435 10.714 -17.115 1.00 51.34 N ATOM 615 CA VAL A 40 11.796 10.850 -17.657 1.00 43.53 C ATOM 616 C VAL A 40 12.745 9.755 -17.130 1.00 62.52 C ATOM 617 O VAL A 40 13.622 9.276 -17.854 1.00 64.13 O ATOM 618 CB VAL A 40 12.379 12.251 -17.324 1.00 4.23 C ATOM 619 CG1 VAL A 40 13.759 12.445 -17.953 1.00 74.14 C ATOM 620 CG2 VAL A 40 11.417 13.357 -17.769 1.00 63.41 C ATOM 0 H VAL A 40 10.100 11.547 -16.631 1.00 51.34 H new ATOM 0 HA VAL A 40 11.719 10.734 -18.738 1.00 43.53 H new ATOM 0 HB VAL A 40 12.498 12.313 -16.242 1.00 4.23 H new ATOM 0 HG11 VAL A 40 14.138 13.435 -17.700 1.00 74.14 H new ATOM 0 HG12 VAL A 40 14.443 11.687 -17.571 1.00 74.14 H new ATOM 0 HG13 VAL A 40 13.682 12.352 -19.036 1.00 74.14 H new ATOM 0 HG21 VAL A 40 11.844 14.330 -17.527 1.00 63.41 H new ATOM 0 HG22 VAL A 40 11.257 13.289 -18.845 1.00 63.41 H new ATOM 0 HG23 VAL A 40 10.464 13.240 -17.252 1.00 63.41 H new ATOM 630 N GLY A 41 12.551 9.357 -15.870 1.00 31.43 N ATOM 631 CA GLY A 41 13.383 8.316 -15.264 1.00 22.01 C ATOM 632 C GLY A 41 13.417 7.018 -16.073 1.00 13.01 C ATOM 633 O GLY A 41 14.449 6.341 -16.139 1.00 1.13 O ATOM 0 H GLY A 41 11.831 9.736 -15.255 1.00 31.43 H new ATOM 0 HA2 GLY A 41 14.400 8.693 -15.153 1.00 22.01 H new ATOM 0 HA3 GLY A 41 13.011 8.101 -14.262 1.00 22.01 H new ATOM 637 N THR A 42 12.286 6.671 -16.692 1.00 41.44 N ATOM 638 CA THR A 42 12.196 5.472 -17.536 1.00 53.43 C ATOM 639 C THR A 42 13.177 5.545 -18.714 1.00 53.44 C ATOM 640 O THR A 42 13.991 4.647 -18.909 1.00 52.25 O ATOM 641 CB THR A 42 10.765 5.270 -18.097 1.00 25.23 C ATOM 642 OG1 THR A 42 9.822 5.179 -17.022 1.00 4.21 O ATOM 643 CG2 THR A 42 10.681 4.009 -18.956 1.00 75.14 C ATOM 0 H THR A 42 11.418 7.202 -16.626 1.00 41.44 H new ATOM 0 HA THR A 42 12.452 4.627 -16.897 1.00 53.43 H new ATOM 0 HB THR A 42 10.527 6.131 -18.721 1.00 25.23 H new ATOM 0 HG1 THR A 42 9.895 5.975 -16.455 1.00 4.21 H new ATOM 0 HG21 THR A 42 9.666 3.894 -19.335 1.00 75.14 H new ATOM 0 HG22 THR A 42 11.374 4.092 -19.793 1.00 75.14 H new ATOM 0 HG23 THR A 42 10.944 3.140 -18.353 1.00 75.14 H new ATOM 651 N TYR A 43 13.102 6.635 -19.480 1.00 5.23 N ATOM 652 CA TYR A 43 13.934 6.811 -20.683 1.00 74.15 C ATOM 653 C TYR A 43 15.434 6.756 -20.361 1.00 64.45 C ATOM 654 O TYR A 43 16.210 6.120 -21.077 1.00 55.21 O ATOM 655 CB TYR A 43 13.607 8.146 -21.363 1.00 52.12 C ATOM 656 CG TYR A 43 12.167 8.257 -21.822 1.00 1.30 C ATOM 657 CD1 TYR A 43 11.770 7.750 -23.055 1.00 14.13 C ATOM 658 CD2 TYR A 43 11.206 8.872 -21.024 1.00 22.22 C ATOM 659 CE1 TYR A 43 10.461 7.852 -23.477 1.00 2.25 C ATOM 660 CE2 TYR A 43 9.894 8.976 -21.441 1.00 34.30 C ATOM 661 CZ TYR A 43 9.527 8.464 -22.667 1.00 20.44 C ATOM 662 OH TYR A 43 8.222 8.570 -23.088 1.00 13.24 O ATOM 0 H TYR A 43 12.472 7.415 -19.292 1.00 5.23 H new ATOM 0 HA TYR A 43 13.704 5.985 -21.356 1.00 74.15 H new ATOM 0 HB2 TYR A 43 13.822 8.959 -20.670 1.00 52.12 H new ATOM 0 HB3 TYR A 43 14.265 8.277 -22.222 1.00 52.12 H new ATOM 0 HD1 TYR A 43 12.498 7.269 -23.692 1.00 14.13 H new ATOM 0 HD2 TYR A 43 11.492 9.274 -20.063 1.00 22.22 H new ATOM 0 HE1 TYR A 43 10.168 7.454 -24.438 1.00 2.25 H new ATOM 0 HE2 TYR A 43 9.160 9.456 -20.811 1.00 34.30 H new ATOM 0 HH TYR A 43 7.859 9.438 -22.813 1.00 13.24 H new ATOM 672 N TYR A 44 15.830 7.428 -19.284 1.00 41.34 N ATOM 673 CA TYR A 44 17.236 7.478 -18.869 1.00 51.50 C ATOM 674 C TYR A 44 17.828 6.068 -18.670 1.00 30.12 C ATOM 675 O TYR A 44 18.880 5.738 -19.219 1.00 33.51 O ATOM 676 CB TYR A 44 17.359 8.298 -17.577 1.00 62.42 C ATOM 677 CG TYR A 44 18.788 8.505 -17.100 1.00 65.45 C ATOM 678 CD1 TYR A 44 19.643 9.375 -17.769 1.00 3.53 C ATOM 679 CD2 TYR A 44 19.278 7.839 -15.981 1.00 0.41 C ATOM 680 CE1 TYR A 44 20.941 9.575 -17.338 1.00 55.33 C ATOM 681 CE2 TYR A 44 20.574 8.034 -15.545 1.00 54.12 C ATOM 682 CZ TYR A 44 21.402 8.902 -16.227 1.00 75.34 C ATOM 683 OH TYR A 44 22.697 9.097 -15.791 1.00 62.15 O ATOM 0 H TYR A 44 15.197 7.949 -18.678 1.00 41.34 H new ATOM 0 HA TYR A 44 17.808 7.957 -19.664 1.00 51.50 H new ATOM 0 HB2 TYR A 44 16.896 9.272 -17.734 1.00 62.42 H new ATOM 0 HB3 TYR A 44 16.794 7.800 -16.789 1.00 62.42 H new ATOM 0 HD1 TYR A 44 19.286 9.904 -18.641 1.00 3.53 H new ATOM 0 HD2 TYR A 44 18.634 7.158 -15.444 1.00 0.41 H new ATOM 0 HE1 TYR A 44 21.591 10.255 -17.869 1.00 55.33 H new ATOM 0 HE2 TYR A 44 20.938 7.509 -14.674 1.00 54.12 H new ATOM 0 HH TYR A 44 22.861 8.548 -14.996 1.00 62.15 H new ATOM 693 N HIS A 45 17.147 5.243 -17.878 1.00 24.10 N ATOM 694 CA HIS A 45 17.605 3.872 -17.613 1.00 34.51 C ATOM 695 C HIS A 45 17.357 2.936 -18.808 1.00 32.21 C ATOM 696 O HIS A 45 18.155 2.038 -19.078 1.00 55.14 O ATOM 697 CB HIS A 45 16.928 3.319 -16.354 1.00 51.25 C ATOM 698 CG HIS A 45 17.329 4.047 -15.109 1.00 52.43 C ATOM 699 ND1 HIS A 45 18.216 3.530 -14.188 1.00 11.40 N ATOM 700 CD2 HIS A 45 16.971 5.263 -14.638 1.00 13.51 C ATOM 701 CE1 HIS A 45 18.384 4.396 -13.209 1.00 72.31 C ATOM 702 NE2 HIS A 45 17.642 5.452 -13.458 1.00 41.22 N ATOM 0 H HIS A 45 16.278 5.495 -17.407 1.00 24.10 H new ATOM 0 HA HIS A 45 18.682 3.915 -17.453 1.00 34.51 H new ATOM 0 HB2 HIS A 45 15.846 3.381 -16.472 1.00 51.25 H new ATOM 0 HB3 HIS A 45 17.177 2.263 -16.248 1.00 51.25 H new ATOM 0 HD2 HIS A 45 16.285 5.955 -15.104 1.00 13.51 H new ATOM 0 HE1 HIS A 45 19.023 4.261 -12.349 1.00 72.31 H new ATOM 0 HE2 HIS A 45 17.576 6.281 -12.867 1.00 41.22 H new ATOM 711 N LEU A 46 16.253 3.151 -19.521 1.00 42.21 N ATOM 712 CA LEU A 46 15.903 2.313 -20.675 1.00 22.15 C ATOM 713 C LEU A 46 16.942 2.457 -21.799 1.00 64.51 C ATOM 714 O LEU A 46 17.310 1.475 -22.449 1.00 45.24 O ATOM 715 CB LEU A 46 14.494 2.670 -21.183 1.00 62.22 C ATOM 716 CG LEU A 46 13.970 1.825 -22.358 1.00 43.32 C ATOM 717 CD1 LEU A 46 14.081 0.335 -22.051 1.00 2.41 C ATOM 718 CD2 LEU A 46 12.523 2.196 -22.688 1.00 41.54 C ATOM 0 H LEU A 46 15.584 3.896 -19.324 1.00 42.21 H new ATOM 0 HA LEU A 46 15.904 1.271 -20.355 1.00 22.15 H new ATOM 0 HB2 LEU A 46 13.794 2.576 -20.352 1.00 62.22 H new ATOM 0 HB3 LEU A 46 14.492 3.718 -21.484 1.00 62.22 H new ATOM 0 HG LEU A 46 14.589 2.040 -23.229 1.00 43.32 H new ATOM 0 HD11 LEU A 46 13.704 -0.240 -22.897 1.00 2.41 H new ATOM 0 HD12 LEU A 46 15.125 0.077 -21.873 1.00 2.41 H new ATOM 0 HD13 LEU A 46 13.493 0.102 -21.163 1.00 2.41 H new ATOM 0 HD21 LEU A 46 12.172 1.587 -23.521 1.00 41.54 H new ATOM 0 HD22 LEU A 46 11.893 2.016 -21.817 1.00 41.54 H new ATOM 0 HD23 LEU A 46 12.471 3.250 -22.962 1.00 41.54 H new ATOM 730 N GLY A 47 17.423 3.682 -22.010 1.00 0.51 N ATOM 731 CA GLY A 47 18.475 3.919 -22.993 1.00 73.51 C ATOM 732 C GLY A 47 19.754 3.142 -22.686 1.00 13.34 C ATOM 733 O GLY A 47 20.304 2.466 -23.558 1.00 44.33 O ATOM 0 H GLY A 47 17.104 4.517 -21.518 1.00 0.51 H new ATOM 0 HA2 GLY A 47 18.113 3.638 -23.982 1.00 73.51 H new ATOM 0 HA3 GLY A 47 18.701 4.985 -23.027 1.00 73.51 H new ATOM 737 N LYS A 48 20.217 3.228 -21.436 1.00 61.25 N ATOM 738 CA LYS A 48 21.391 2.469 -20.984 1.00 34.22 C ATOM 739 C LYS A 48 21.193 0.958 -21.193 1.00 73.14 C ATOM 740 O LYS A 48 22.139 0.228 -21.499 1.00 53.31 O ATOM 741 CB LYS A 48 21.671 2.751 -19.497 1.00 13.24 C ATOM 742 CG LYS A 48 21.947 4.219 -19.178 1.00 45.44 C ATOM 743 CD LYS A 48 23.135 4.757 -19.969 1.00 75.34 C ATOM 744 CE LYS A 48 23.471 6.195 -19.592 1.00 53.44 C ATOM 745 NZ LYS A 48 23.956 6.307 -18.190 1.00 32.20 N ATOM 0 H LYS A 48 19.797 3.816 -20.716 1.00 61.25 H new ATOM 0 HA LYS A 48 22.244 2.792 -21.581 1.00 34.22 H new ATOM 0 HB2 LYS A 48 20.816 2.418 -18.909 1.00 13.24 H new ATOM 0 HB3 LYS A 48 22.527 2.155 -19.181 1.00 13.24 H new ATOM 0 HG2 LYS A 48 21.061 4.813 -19.404 1.00 45.44 H new ATOM 0 HG3 LYS A 48 22.141 4.329 -18.111 1.00 45.44 H new ATOM 0 HD2 LYS A 48 24.004 4.124 -19.792 1.00 75.34 H new ATOM 0 HD3 LYS A 48 22.914 4.704 -21.035 1.00 75.34 H new ATOM 0 HE2 LYS A 48 24.233 6.579 -20.270 1.00 53.44 H new ATOM 0 HE3 LYS A 48 22.587 6.819 -19.720 1.00 53.44 H new ATOM 0 HZ1 LYS A 48 24.362 7.252 -18.038 1.00 32.20 H new ATOM 0 HZ2 LYS A 48 23.161 6.162 -17.535 1.00 32.20 H new ATOM 0 HZ3 LYS A 48 24.684 5.585 -18.016 1.00 32.20 H new ATOM 759 N LEU A 49 19.954 0.496 -21.032 1.00 35.15 N ATOM 760 CA LEU A 49 19.625 -0.916 -21.235 1.00 30.34 C ATOM 761 C LEU A 49 19.767 -1.307 -22.717 1.00 41.31 C ATOM 762 O LEU A 49 20.265 -2.389 -23.036 1.00 53.30 O ATOM 763 CB LEU A 49 18.208 -1.208 -20.719 1.00 11.14 C ATOM 764 CG LEU A 49 17.792 -2.690 -20.715 1.00 51.21 C ATOM 765 CD1 LEU A 49 18.834 -3.549 -20.001 1.00 24.51 C ATOM 766 CD2 LEU A 49 16.427 -2.849 -20.055 1.00 2.50 C ATOM 0 H LEU A 49 19.161 1.078 -20.762 1.00 35.15 H new ATOM 0 HA LEU A 49 20.330 -1.522 -20.666 1.00 30.34 H new ATOM 0 HB2 LEU A 49 18.125 -0.823 -19.702 1.00 11.14 H new ATOM 0 HB3 LEU A 49 17.497 -0.652 -21.330 1.00 11.14 H new ATOM 0 HG LEU A 49 17.726 -3.031 -21.748 1.00 51.21 H new ATOM 0 HD11 LEU A 49 18.516 -4.591 -20.012 1.00 24.51 H new ATOM 0 HD12 LEU A 49 19.793 -3.457 -20.511 1.00 24.51 H new ATOM 0 HD13 LEU A 49 18.938 -3.213 -18.969 1.00 24.51 H new ATOM 0 HD21 LEU A 49 16.142 -3.901 -20.057 1.00 2.50 H new ATOM 0 HD22 LEU A 49 16.475 -2.488 -19.027 1.00 2.50 H new ATOM 0 HD23 LEU A 49 15.686 -2.271 -20.608 1.00 2.50 H new ATOM 778 N TYR A 50 19.346 -0.419 -23.623 1.00 25.44 N ATOM 779 CA TYR A 50 19.572 -0.628 -25.061 1.00 14.41 C ATOM 780 C TYR A 50 21.071 -0.717 -25.366 1.00 34.50 C ATOM 781 O TYR A 50 21.512 -1.604 -26.097 1.00 14.22 O ATOM 782 CB TYR A 50 18.951 0.497 -25.898 1.00 10.33 C ATOM 783 CG TYR A 50 17.439 0.476 -25.953 1.00 60.23 C ATOM 784 CD1 TYR A 50 16.759 -0.576 -26.557 1.00 53.13 C ATOM 785 CD2 TYR A 50 16.692 1.512 -25.410 1.00 64.21 C ATOM 786 CE1 TYR A 50 15.380 -0.593 -26.614 1.00 42.53 C ATOM 787 CE2 TYR A 50 15.316 1.500 -25.465 1.00 62.32 C ATOM 788 CZ TYR A 50 14.664 0.450 -26.066 1.00 14.22 C ATOM 789 OH TYR A 50 13.289 0.447 -26.122 1.00 14.03 O ATOM 0 H TYR A 50 18.852 0.443 -23.392 1.00 25.44 H new ATOM 0 HA TYR A 50 19.090 -1.568 -25.329 1.00 14.41 H new ATOM 0 HB2 TYR A 50 19.274 1.456 -25.492 1.00 10.33 H new ATOM 0 HB3 TYR A 50 19.340 0.434 -26.914 1.00 10.33 H new ATOM 0 HD1 TYR A 50 17.319 -1.393 -26.988 1.00 53.13 H new ATOM 0 HD2 TYR A 50 17.198 2.341 -24.937 1.00 64.21 H new ATOM 0 HE1 TYR A 50 14.865 -1.418 -27.085 1.00 42.53 H new ATOM 0 HE2 TYR A 50 14.750 2.314 -25.037 1.00 62.32 H new ATOM 0 HH TYR A 50 12.942 1.254 -25.688 1.00 14.03 H new ATOM 799 N GLU A 51 21.850 0.207 -24.802 1.00 24.51 N ATOM 800 CA GLU A 51 23.311 0.180 -24.946 1.00 21.04 C ATOM 801 C GLU A 51 23.891 -1.164 -24.469 1.00 31.43 C ATOM 802 O GLU A 51 24.813 -1.710 -25.081 1.00 34.45 O ATOM 803 CB GLU A 51 23.956 1.337 -24.166 1.00 4.43 C ATOM 804 CG GLU A 51 23.587 2.725 -24.689 1.00 0.13 C ATOM 805 CD GLU A 51 24.393 3.836 -24.027 1.00 34.23 C ATOM 806 OE1 GLU A 51 25.609 3.937 -24.302 1.00 51.23 O ATOM 807 OE2 GLU A 51 23.827 4.603 -23.215 1.00 74.30 O ATOM 0 H GLU A 51 21.497 0.983 -24.242 1.00 24.51 H new ATOM 0 HA GLU A 51 23.541 0.298 -26.005 1.00 21.04 H new ATOM 0 HB2 GLU A 51 23.660 1.265 -23.119 1.00 4.43 H new ATOM 0 HB3 GLU A 51 25.040 1.224 -24.200 1.00 4.43 H new ATOM 0 HG2 GLU A 51 23.748 2.757 -25.767 1.00 0.13 H new ATOM 0 HG3 GLU A 51 22.525 2.902 -24.520 1.00 0.13 H new ATOM 814 N ARG A 52 23.336 -1.697 -23.380 1.00 34.43 N ATOM 815 CA ARG A 52 23.731 -3.019 -22.874 1.00 51.54 C ATOM 816 C ARG A 52 23.370 -4.129 -23.882 1.00 75.24 C ATOM 817 O ARG A 52 24.073 -5.131 -24.001 1.00 54.53 O ATOM 818 CB ARG A 52 23.056 -3.300 -21.521 1.00 14.01 C ATOM 819 CG ARG A 52 23.516 -4.599 -20.864 1.00 54.11 C ATOM 820 CD ARG A 52 22.795 -4.870 -19.547 1.00 60.51 C ATOM 821 NE ARG A 52 23.327 -6.053 -18.872 1.00 33.44 N ATOM 822 CZ ARG A 52 22.785 -6.628 -17.830 1.00 71.52 C ATOM 823 NH1 ARG A 52 21.685 -6.180 -17.315 1.00 2.24 N ATOM 824 NH2 ARG A 52 23.355 -7.659 -17.296 1.00 61.54 N ATOM 0 H ARG A 52 22.612 -1.237 -22.829 1.00 34.43 H new ATOM 0 HA ARG A 52 24.813 -3.016 -22.738 1.00 51.54 H new ATOM 0 HB2 ARG A 52 23.258 -2.470 -20.845 1.00 14.01 H new ATOM 0 HB3 ARG A 52 21.976 -3.338 -21.665 1.00 14.01 H new ATOM 0 HG2 ARG A 52 23.343 -5.430 -21.548 1.00 54.11 H new ATOM 0 HG3 ARG A 52 24.590 -4.552 -20.684 1.00 54.11 H new ATOM 0 HD2 ARG A 52 22.893 -4.003 -18.893 1.00 60.51 H new ATOM 0 HD3 ARG A 52 21.730 -5.007 -19.737 1.00 60.51 H new ATOM 0 HE ARG A 52 24.186 -6.461 -19.242 1.00 33.44 H new ATOM 0 HH11 ARG A 52 21.226 -5.365 -17.722 1.00 2.24 H new ATOM 0 HH12 ARG A 52 21.277 -6.642 -16.502 1.00 2.24 H new ATOM 0 HH21 ARG A 52 24.224 -8.021 -17.688 1.00 61.54 H new ATOM 0 HH22 ARG A 52 22.935 -8.110 -16.483 1.00 61.54 H new ATOM 838 N LEU A 53 22.271 -3.933 -24.611 1.00 50.00 N ATOM 839 CA LEU A 53 21.826 -4.890 -25.636 1.00 50.24 C ATOM 840 C LEU A 53 22.462 -4.593 -27.008 1.00 0.12 C ATOM 841 O LEU A 53 22.002 -5.102 -28.033 1.00 52.01 O ATOM 842 CB LEU A 53 20.294 -4.851 -25.762 1.00 2.22 C ATOM 843 CG LEU A 53 19.509 -5.215 -24.493 1.00 40.14 C ATOM 844 CD1 LEU A 53 18.006 -5.101 -24.744 1.00 32.51 C ATOM 845 CD2 LEU A 53 19.872 -6.620 -24.011 1.00 72.41 C ATOM 0 H LEU A 53 21.667 -3.117 -24.513 1.00 50.00 H new ATOM 0 HA LEU A 53 22.147 -5.883 -25.321 1.00 50.24 H new ATOM 0 HB2 LEU A 53 19.999 -3.849 -26.074 1.00 2.22 H new ATOM 0 HB3 LEU A 53 19.996 -5.533 -26.559 1.00 2.22 H new ATOM 0 HG LEU A 53 19.782 -4.509 -23.708 1.00 40.14 H new ATOM 0 HD11 LEU A 53 17.464 -5.362 -23.835 1.00 32.51 H new ATOM 0 HD12 LEU A 53 17.762 -4.078 -25.031 1.00 32.51 H new ATOM 0 HD13 LEU A 53 17.718 -5.781 -25.546 1.00 32.51 H new ATOM 0 HD21 LEU A 53 19.303 -6.854 -23.111 1.00 72.41 H new ATOM 0 HD22 LEU A 53 19.634 -7.345 -24.790 1.00 72.41 H new ATOM 0 HD23 LEU A 53 20.938 -6.664 -23.788 1.00 72.41 H new ATOM 857 N ASP A 54 23.505 -3.752 -27.018 1.00 64.53 N ATOM 858 CA ASP A 54 24.220 -3.380 -28.253 1.00 75.24 C ATOM 859 C ASP A 54 23.338 -2.514 -29.186 1.00 12.10 C ATOM 860 O ASP A 54 23.721 -2.183 -30.311 1.00 70.21 O ATOM 861 CB ASP A 54 24.721 -4.649 -28.970 1.00 10.33 C ATOM 862 CG ASP A 54 25.633 -4.352 -30.147 1.00 54.55 C ATOM 863 OD1 ASP A 54 26.724 -3.784 -29.931 1.00 4.34 O ATOM 864 OD2 ASP A 54 25.276 -4.699 -31.293 1.00 14.13 O ATOM 0 H ASP A 54 23.878 -3.311 -26.177 1.00 64.53 H new ATOM 0 HA ASP A 54 25.081 -2.770 -27.981 1.00 75.24 H new ATOM 0 HB2 ASP A 54 25.254 -5.276 -28.255 1.00 10.33 H new ATOM 0 HB3 ASP A 54 23.863 -5.223 -29.320 1.00 10.33 H new ATOM 869 N ARG A 55 22.167 -2.122 -28.691 1.00 64.12 N ATOM 870 CA ARG A 55 21.220 -1.307 -29.459 1.00 12.23 C ATOM 871 C ARG A 55 21.497 0.198 -29.262 1.00 14.52 C ATOM 872 O ARG A 55 20.625 0.955 -28.829 1.00 54.02 O ATOM 873 CB ARG A 55 19.783 -1.645 -29.027 1.00 61.41 C ATOM 874 CG ARG A 55 19.419 -3.126 -29.150 1.00 11.05 C ATOM 875 CD ARG A 55 19.493 -3.616 -30.593 1.00 35.51 C ATOM 876 NE ARG A 55 18.661 -2.808 -31.485 1.00 54.42 N ATOM 877 CZ ARG A 55 18.282 -3.171 -32.677 1.00 64.31 C ATOM 878 NH1 ARG A 55 18.624 -4.321 -33.161 1.00 50.13 N ATOM 879 NH2 ARG A 55 17.549 -2.370 -33.379 1.00 1.20 N ATOM 0 H ARG A 55 21.846 -2.357 -27.752 1.00 64.12 H new ATOM 0 HA ARG A 55 21.344 -1.534 -30.518 1.00 12.23 H new ATOM 0 HB2 ARG A 55 19.645 -1.334 -27.991 1.00 61.41 H new ATOM 0 HB3 ARG A 55 19.088 -1.061 -29.630 1.00 61.41 H new ATOM 0 HG2 ARG A 55 20.094 -3.718 -28.531 1.00 11.05 H new ATOM 0 HG3 ARG A 55 18.412 -3.285 -28.765 1.00 11.05 H new ATOM 0 HD2 ARG A 55 20.528 -3.586 -30.934 1.00 35.51 H new ATOM 0 HD3 ARG A 55 19.172 -4.657 -30.640 1.00 35.51 H new ATOM 0 HE ARG A 55 18.356 -1.895 -31.149 1.00 54.42 H new ATOM 0 HH11 ARG A 55 19.198 -4.957 -32.607 1.00 50.13 H new ATOM 0 HH12 ARG A 55 18.320 -4.592 -34.096 1.00 50.13 H new ATOM 0 HH21 ARG A 55 17.274 -1.465 -32.998 1.00 1.20 H new ATOM 0 HH22 ARG A 55 17.246 -2.643 -34.314 1.00 1.20 H new ATOM 893 N THR A 56 22.716 0.623 -29.591 1.00 75.33 N ATOM 894 CA THR A 56 23.148 2.018 -29.391 1.00 72.43 C ATOM 895 C THR A 56 22.233 3.029 -30.102 1.00 2.11 C ATOM 896 O THR A 56 21.774 3.997 -29.497 1.00 53.12 O ATOM 897 CB THR A 56 24.603 2.229 -29.877 1.00 44.11 C ATOM 898 OG1 THR A 56 25.466 1.273 -29.242 1.00 54.31 O ATOM 899 CG2 THR A 56 25.100 3.643 -29.571 1.00 55.32 C ATOM 0 H THR A 56 23.431 0.022 -30.000 1.00 75.33 H new ATOM 0 HA THR A 56 23.087 2.198 -28.318 1.00 72.43 H new ATOM 0 HB THR A 56 24.619 2.091 -30.958 1.00 44.11 H new ATOM 0 HG1 THR A 56 26.386 1.407 -29.552 1.00 54.31 H new ATOM 0 HG21 THR A 56 26.124 3.753 -29.927 1.00 55.32 H new ATOM 0 HG22 THR A 56 24.461 4.370 -30.073 1.00 55.32 H new ATOM 0 HG23 THR A 56 25.069 3.815 -28.495 1.00 55.32 H new ATOM 907 N ASP A 57 21.968 2.801 -31.388 1.00 33.43 N ATOM 908 CA ASP A 57 21.111 3.702 -32.170 1.00 25.42 C ATOM 909 C ASP A 57 19.696 3.801 -31.563 1.00 62.02 C ATOM 910 O ASP A 57 19.122 4.892 -31.468 1.00 50.11 O ATOM 911 CB ASP A 57 21.046 3.229 -33.627 1.00 54.13 C ATOM 912 CG ASP A 57 20.250 4.175 -34.509 1.00 14.51 C ATOM 913 OD1 ASP A 57 20.686 5.332 -34.693 1.00 1.55 O ATOM 914 OD2 ASP A 57 19.182 3.775 -35.013 1.00 31.24 O ATOM 0 H ASP A 57 22.331 2.005 -31.912 1.00 33.43 H new ATOM 0 HA ASP A 57 21.549 4.700 -32.141 1.00 25.42 H new ATOM 0 HB2 ASP A 57 22.058 3.135 -34.021 1.00 54.13 H new ATOM 0 HB3 ASP A 57 20.596 2.237 -33.664 1.00 54.13 H new ATOM 919 N ASP A 58 19.151 2.659 -31.145 1.00 14.42 N ATOM 920 CA ASP A 58 17.853 2.614 -30.461 1.00 13.24 C ATOM 921 C ASP A 58 17.890 3.437 -29.163 1.00 31.13 C ATOM 922 O ASP A 58 16.945 4.162 -28.837 1.00 14.32 O ATOM 923 CB ASP A 58 17.484 1.164 -30.134 1.00 33.14 C ATOM 924 CG ASP A 58 17.535 0.259 -31.351 1.00 31.12 C ATOM 925 OD1 ASP A 58 18.640 0.044 -31.886 1.00 63.50 O ATOM 926 OD2 ASP A 58 16.481 -0.271 -31.758 1.00 1.02 O ATOM 0 H ASP A 58 19.589 1.746 -31.268 1.00 14.42 H new ATOM 0 HA ASP A 58 17.103 3.042 -31.126 1.00 13.24 H new ATOM 0 HB2 ASP A 58 18.165 0.782 -29.374 1.00 33.14 H new ATOM 0 HB3 ASP A 58 16.482 1.136 -29.707 1.00 33.14 H new ATOM 931 N ALA A 59 18.989 3.308 -28.420 1.00 43.11 N ATOM 932 CA ALA A 59 19.193 4.074 -27.190 1.00 61.34 C ATOM 933 C ALA A 59 19.126 5.581 -27.457 1.00 45.02 C ATOM 934 O ALA A 59 18.371 6.302 -26.806 1.00 70.24 O ATOM 935 CB ALA A 59 20.530 3.705 -26.556 1.00 32.40 C ATOM 0 H ALA A 59 19.756 2.676 -28.650 1.00 43.11 H new ATOM 0 HA ALA A 59 18.391 3.821 -26.497 1.00 61.34 H new ATOM 0 HB1 ALA A 59 20.670 4.281 -25.642 1.00 32.40 H new ATOM 0 HB2 ALA A 59 20.539 2.641 -26.319 1.00 32.40 H new ATOM 0 HB3 ALA A 59 21.337 3.928 -27.253 1.00 32.40 H new ATOM 941 N ILE A 60 19.909 6.044 -28.433 1.00 62.23 N ATOM 942 CA ILE A 60 19.946 7.467 -28.806 1.00 41.54 C ATOM 943 C ILE A 60 18.536 8.017 -29.096 1.00 43.53 C ATOM 944 O ILE A 60 18.179 9.110 -28.648 1.00 4.25 O ATOM 945 CB ILE A 60 20.857 7.698 -30.040 1.00 43.04 C ATOM 946 CG1 ILE A 60 22.291 7.220 -29.743 1.00 51.11 C ATOM 947 CG2 ILE A 60 20.855 9.172 -30.453 1.00 1.24 C ATOM 948 CD1 ILE A 60 23.234 7.325 -30.925 1.00 22.12 C ATOM 0 H ILE A 60 20.531 5.453 -28.985 1.00 62.23 H new ATOM 0 HA ILE A 60 20.358 8.006 -27.953 1.00 41.54 H new ATOM 0 HB ILE A 60 20.461 7.115 -30.872 1.00 43.04 H new ATOM 0 HG12 ILE A 60 22.694 7.806 -28.917 1.00 51.11 H new ATOM 0 HG13 ILE A 60 22.256 6.182 -29.411 1.00 51.11 H new ATOM 0 HG21 ILE A 60 21.501 9.308 -31.320 1.00 1.24 H new ATOM 0 HG22 ILE A 60 19.840 9.478 -30.706 1.00 1.24 H new ATOM 0 HG23 ILE A 60 21.223 9.782 -29.628 1.00 1.24 H new ATOM 0 HD11 ILE A 60 24.223 6.969 -30.634 1.00 22.12 H new ATOM 0 HD12 ILE A 60 22.857 6.717 -31.747 1.00 22.12 H new ATOM 0 HD13 ILE A 60 23.302 8.365 -31.245 1.00 22.12 H new ATOM 960 N ASP A 61 17.731 7.248 -29.834 1.00 14.41 N ATOM 961 CA ASP A 61 16.352 7.648 -30.140 1.00 71.42 C ATOM 962 C ASP A 61 15.486 7.678 -28.864 1.00 54.53 C ATOM 963 O ASP A 61 14.644 8.561 -28.687 1.00 22.42 O ATOM 964 CB ASP A 61 15.743 6.695 -31.175 1.00 21.11 C ATOM 965 CG ASP A 61 14.391 7.177 -31.673 1.00 65.13 C ATOM 966 OD1 ASP A 61 14.360 8.149 -32.459 1.00 2.10 O ATOM 967 OD2 ASP A 61 13.356 6.590 -31.286 1.00 41.04 O ATOM 0 H ASP A 61 18.007 6.349 -30.230 1.00 14.41 H new ATOM 0 HA ASP A 61 16.374 8.656 -30.555 1.00 71.42 H new ATOM 0 HB2 ASP A 61 16.425 6.595 -32.020 1.00 21.11 H new ATOM 0 HB3 ASP A 61 15.634 5.704 -30.734 1.00 21.11 H new ATOM 972 N THR A 62 15.708 6.705 -27.980 1.00 31.03 N ATOM 973 CA THR A 62 15.012 6.656 -26.685 1.00 24.01 C ATOM 974 C THR A 62 15.349 7.889 -25.833 1.00 15.31 C ATOM 975 O THR A 62 14.482 8.452 -25.158 1.00 61.54 O ATOM 976 CB THR A 62 15.370 5.370 -25.897 1.00 42.12 C ATOM 977 OG1 THR A 62 15.011 4.210 -26.667 1.00 62.15 O ATOM 978 CG2 THR A 62 14.658 5.324 -24.547 1.00 61.00 C ATOM 0 H THR A 62 16.363 5.938 -28.133 1.00 31.03 H new ATOM 0 HA THR A 62 13.943 6.649 -26.896 1.00 24.01 H new ATOM 0 HB THR A 62 16.445 5.378 -25.716 1.00 42.12 H new ATOM 0 HG1 THR A 62 15.523 3.436 -26.351 1.00 62.15 H new ATOM 0 HG21 THR A 62 14.932 4.409 -24.022 1.00 61.00 H new ATOM 0 HG22 THR A 62 14.953 6.187 -23.950 1.00 61.00 H new ATOM 0 HG23 THR A 62 13.579 5.343 -24.704 1.00 61.00 H new ATOM 986 N TYR A 63 16.614 8.316 -25.877 1.00 72.22 N ATOM 987 CA TYR A 63 17.031 9.550 -25.204 1.00 62.55 C ATOM 988 C TYR A 63 16.340 10.768 -25.826 1.00 10.12 C ATOM 989 O TYR A 63 15.894 11.660 -25.114 1.00 41.23 O ATOM 990 CB TYR A 63 18.557 9.728 -25.259 1.00 60.44 C ATOM 991 CG TYR A 63 19.324 8.691 -24.457 1.00 55.44 C ATOM 992 CD1 TYR A 63 19.134 8.571 -23.085 1.00 11.41 C ATOM 993 CD2 TYR A 63 20.225 7.827 -25.070 1.00 22.52 C ATOM 994 CE1 TYR A 63 19.820 7.625 -22.349 1.00 24.23 C ATOM 995 CE2 TYR A 63 20.912 6.875 -24.342 1.00 43.11 C ATOM 996 CZ TYR A 63 20.706 6.778 -22.982 1.00 71.24 C ATOM 997 OH TYR A 63 21.382 5.829 -22.253 1.00 31.33 O ATOM 0 H TYR A 63 17.364 7.829 -26.368 1.00 72.22 H new ATOM 0 HA TYR A 63 16.732 9.470 -24.159 1.00 62.55 H new ATOM 0 HB2 TYR A 63 18.882 9.683 -26.299 1.00 60.44 H new ATOM 0 HB3 TYR A 63 18.811 10.721 -24.889 1.00 60.44 H new ATOM 0 HD1 TYR A 63 18.438 9.229 -22.586 1.00 11.41 H new ATOM 0 HD2 TYR A 63 20.391 7.902 -26.135 1.00 22.52 H new ATOM 0 HE1 TYR A 63 19.664 7.549 -21.283 1.00 24.23 H new ATOM 0 HE2 TYR A 63 21.606 6.211 -24.835 1.00 43.11 H new ATOM 0 HH TYR A 63 22.138 5.491 -22.777 1.00 31.33 H new ATOM 1007 N ALA A 64 16.245 10.789 -27.157 1.00 71.14 N ATOM 1008 CA ALA A 64 15.565 11.875 -27.878 1.00 31.13 C ATOM 1009 C ALA A 64 14.113 12.048 -27.397 1.00 63.25 C ATOM 1010 O ALA A 64 13.662 13.166 -27.132 1.00 53.13 O ATOM 1011 CB ALA A 64 15.605 11.613 -29.378 1.00 40.54 C ATOM 0 H ALA A 64 16.631 10.065 -27.762 1.00 71.14 H new ATOM 0 HA ALA A 64 16.094 12.804 -27.666 1.00 31.13 H new ATOM 0 HB1 ALA A 64 15.099 12.423 -29.903 1.00 40.54 H new ATOM 0 HB2 ALA A 64 16.642 11.558 -29.710 1.00 40.54 H new ATOM 0 HB3 ALA A 64 15.103 10.670 -29.596 1.00 40.54 H new ATOM 1017 N GLN A 65 13.389 10.933 -27.285 1.00 63.13 N ATOM 1018 CA GLN A 65 12.040 10.932 -26.701 1.00 2.33 C ATOM 1019 C GLN A 65 12.043 11.553 -25.297 1.00 12.52 C ATOM 1020 O GLN A 65 11.250 12.456 -24.991 1.00 42.04 O ATOM 1021 CB GLN A 65 11.503 9.494 -26.629 1.00 61.31 C ATOM 1022 CG GLN A 65 11.140 8.903 -27.986 1.00 53.43 C ATOM 1023 CD GLN A 65 9.964 9.615 -28.638 1.00 32.53 C ATOM 1024 OE1 GLN A 65 9.894 9.732 -29.858 1.00 13.52 O ATOM 1025 NE2 GLN A 65 9.017 10.065 -27.835 1.00 13.22 N ATOM 0 H GLN A 65 13.712 10.015 -27.591 1.00 63.13 H new ATOM 0 HA GLN A 65 11.394 11.533 -27.340 1.00 2.33 H new ATOM 0 HB2 GLN A 65 12.253 8.860 -26.156 1.00 61.31 H new ATOM 0 HB3 GLN A 65 10.621 9.477 -25.988 1.00 61.31 H new ATOM 0 HG2 GLN A 65 12.006 8.959 -28.646 1.00 53.43 H new ATOM 0 HG3 GLN A 65 10.899 7.847 -27.866 1.00 53.43 H new ATOM 0 HE21 GLN A 65 9.108 9.951 -26.825 1.00 13.22 H new ATOM 0 HE22 GLN A 65 8.195 10.527 -28.224 1.00 13.22 H new ATOM 1034 N GLY A 66 12.945 11.058 -24.450 1.00 32.32 N ATOM 1035 CA GLY A 66 13.091 11.590 -23.104 1.00 41.02 C ATOM 1036 C GLY A 66 13.454 13.070 -23.089 1.00 51.15 C ATOM 1037 O GLY A 66 13.009 13.807 -22.221 1.00 34.04 O ATOM 0 H GLY A 66 13.581 10.293 -24.675 1.00 32.32 H new ATOM 0 HA2 GLY A 66 12.159 11.444 -22.558 1.00 41.02 H new ATOM 0 HA3 GLY A 66 13.861 11.027 -22.577 1.00 41.02 H new ATOM 1041 N ILE A 67 14.254 13.501 -24.063 1.00 43.32 N ATOM 1042 CA ILE A 67 14.698 14.897 -24.167 1.00 62.41 C ATOM 1043 C ILE A 67 13.508 15.857 -24.279 1.00 11.04 C ATOM 1044 O ILE A 67 13.445 16.869 -23.576 1.00 3.13 O ATOM 1045 CB ILE A 67 15.646 15.076 -25.386 1.00 3.11 C ATOM 1046 CG1 ILE A 67 17.017 14.457 -25.076 1.00 61.43 C ATOM 1047 CG2 ILE A 67 15.798 16.546 -25.779 1.00 71.31 C ATOM 1048 CD1 ILE A 67 17.939 14.375 -26.273 1.00 24.34 C ATOM 0 H ILE A 67 14.614 12.897 -24.802 1.00 43.32 H new ATOM 0 HA ILE A 67 15.242 15.140 -23.254 1.00 62.41 H new ATOM 0 HB ILE A 67 15.200 14.559 -26.236 1.00 3.11 H new ATOM 0 HG12 ILE A 67 17.502 15.045 -24.296 1.00 61.43 H new ATOM 0 HG13 ILE A 67 16.869 13.454 -24.674 1.00 61.43 H new ATOM 0 HG21 ILE A 67 16.468 16.626 -26.635 1.00 71.31 H new ATOM 0 HG22 ILE A 67 14.823 16.955 -26.043 1.00 71.31 H new ATOM 0 HG23 ILE A 67 16.212 17.106 -24.940 1.00 71.31 H new ATOM 0 HD11 ILE A 67 18.886 13.927 -25.973 1.00 24.34 H new ATOM 0 HD12 ILE A 67 17.477 13.762 -27.047 1.00 24.34 H new ATOM 0 HD13 ILE A 67 18.119 15.377 -26.663 1.00 24.34 H new ATOM 1060 N GLU A 68 12.560 15.523 -25.150 1.00 54.12 N ATOM 1061 CA GLU A 68 11.359 16.340 -25.339 1.00 74.31 C ATOM 1062 C GLU A 68 10.589 16.502 -24.022 1.00 23.33 C ATOM 1063 O GLU A 68 10.342 17.618 -23.560 1.00 23.32 O ATOM 1064 CB GLU A 68 10.449 15.708 -26.400 1.00 43.03 C ATOM 1065 CG GLU A 68 11.147 15.441 -27.730 1.00 22.43 C ATOM 1066 CD GLU A 68 10.187 14.974 -28.812 1.00 62.55 C ATOM 1067 OE1 GLU A 68 9.495 15.828 -29.403 1.00 70.04 O ATOM 1068 OE2 GLU A 68 10.113 13.754 -29.069 1.00 12.44 O ATOM 0 H GLU A 68 12.598 14.691 -25.739 1.00 54.12 H new ATOM 0 HA GLU A 68 11.673 17.327 -25.677 1.00 74.31 H new ATOM 0 HB2 GLU A 68 10.053 14.769 -26.013 1.00 43.03 H new ATOM 0 HB3 GLU A 68 9.597 16.366 -26.573 1.00 43.03 H new ATOM 0 HG2 GLU A 68 11.648 16.350 -28.062 1.00 22.43 H new ATOM 0 HG3 GLU A 68 11.920 14.686 -27.585 1.00 22.43 H new ATOM 1075 N VAL A 69 10.239 15.382 -23.402 1.00 52.13 N ATOM 1076 CA VAL A 69 9.509 15.412 -22.131 1.00 72.40 C ATOM 1077 C VAL A 69 10.389 15.910 -20.963 1.00 23.44 C ATOM 1078 O VAL A 69 9.877 16.393 -19.954 1.00 60.43 O ATOM 1079 CB VAL A 69 8.895 14.030 -21.790 1.00 52.11 C ATOM 1080 CG1 VAL A 69 7.727 13.720 -22.723 1.00 74.31 C ATOM 1081 CG2 VAL A 69 9.944 12.924 -21.866 1.00 64.42 C ATOM 0 H VAL A 69 10.445 14.446 -23.751 1.00 52.13 H new ATOM 0 HA VAL A 69 8.696 16.126 -22.263 1.00 72.40 H new ATOM 0 HB VAL A 69 8.525 14.072 -20.766 1.00 52.11 H new ATOM 0 HG11 VAL A 69 7.308 12.746 -22.470 1.00 74.31 H new ATOM 0 HG12 VAL A 69 6.959 14.486 -22.612 1.00 74.31 H new ATOM 0 HG13 VAL A 69 8.079 13.706 -23.755 1.00 74.31 H new ATOM 0 HG21 VAL A 69 9.482 11.967 -21.622 1.00 64.42 H new ATOM 0 HG22 VAL A 69 10.355 12.881 -22.875 1.00 64.42 H new ATOM 0 HG23 VAL A 69 10.745 13.132 -21.156 1.00 64.42 H new ATOM 1091 N ALA A 70 11.709 15.805 -21.108 1.00 22.14 N ATOM 1092 CA ALA A 70 12.643 16.289 -20.081 1.00 33.13 C ATOM 1093 C ALA A 70 12.682 17.822 -20.027 1.00 64.42 C ATOM 1094 O ALA A 70 12.691 18.407 -18.949 1.00 44.01 O ATOM 1095 CB ALA A 70 14.044 15.738 -20.320 1.00 1.22 C ATOM 0 H ALA A 70 12.160 15.390 -21.924 1.00 22.14 H new ATOM 0 HA ALA A 70 12.280 15.927 -19.119 1.00 33.13 H new ATOM 0 HB1 ALA A 70 14.718 16.110 -19.548 1.00 1.22 H new ATOM 0 HB2 ALA A 70 14.018 14.649 -20.285 1.00 1.22 H new ATOM 0 HB3 ALA A 70 14.400 16.061 -21.298 1.00 1.22 H new ATOM 1101 N ARG A 71 12.713 18.470 -21.190 1.00 62.25 N ATOM 1102 CA ARG A 71 12.711 19.942 -21.250 1.00 3.55 C ATOM 1103 C ARG A 71 11.314 20.520 -20.972 1.00 4.31 C ATOM 1104 O ARG A 71 11.165 21.477 -20.211 1.00 4.51 O ATOM 1105 CB ARG A 71 13.216 20.439 -22.617 1.00 21.54 C ATOM 1106 CG ARG A 71 12.494 19.823 -23.814 1.00 52.42 C ATOM 1107 CD ARG A 71 12.858 20.515 -25.124 1.00 25.32 C ATOM 1108 NE ARG A 71 12.284 21.859 -25.212 1.00 54.21 N ATOM 1109 CZ ARG A 71 12.041 22.483 -26.336 1.00 42.24 C ATOM 1110 NH1 ARG A 71 12.354 21.943 -27.467 1.00 2.30 N ATOM 1111 NH2 ARG A 71 11.494 23.657 -26.325 1.00 50.14 N ATOM 0 H ARG A 71 12.740 18.010 -22.100 1.00 62.25 H new ATOM 0 HA ARG A 71 13.388 20.293 -20.471 1.00 3.55 H new ATOM 0 HB2 ARG A 71 13.107 21.523 -22.660 1.00 21.54 H new ATOM 0 HB3 ARG A 71 14.281 20.222 -22.699 1.00 21.54 H new ATOM 0 HG2 ARG A 71 12.745 18.764 -23.882 1.00 52.42 H new ATOM 0 HG3 ARG A 71 11.417 19.886 -23.659 1.00 52.42 H new ATOM 0 HD2 ARG A 71 13.943 20.578 -25.212 1.00 25.32 H new ATOM 0 HD3 ARG A 71 12.504 19.914 -25.962 1.00 25.32 H new ATOM 0 HE ARG A 71 12.059 22.340 -24.341 1.00 54.21 H new ATOM 0 HH11 ARG A 71 12.794 21.023 -27.488 1.00 2.30 H new ATOM 0 HH12 ARG A 71 12.161 22.436 -28.339 1.00 2.30 H new ATOM 0 HH21 ARG A 71 11.251 24.098 -25.438 1.00 50.14 H new ATOM 0 HH22 ARG A 71 11.306 24.140 -27.203 1.00 50.14 H new ATOM 1125 N GLU A 72 10.295 19.929 -21.592 1.00 13.53 N ATOM 1126 CA GLU A 72 8.924 20.438 -21.489 1.00 53.43 C ATOM 1127 C GLU A 72 8.264 20.069 -20.146 1.00 4.43 C ATOM 1128 O GLU A 72 7.740 20.936 -19.443 1.00 34.11 O ATOM 1129 CB GLU A 72 8.087 19.903 -22.663 1.00 23.30 C ATOM 1130 CG GLU A 72 8.642 20.299 -24.033 1.00 74.40 C ATOM 1131 CD GLU A 72 7.859 19.703 -25.197 1.00 10.00 C ATOM 1132 OE1 GLU A 72 6.834 20.294 -25.592 1.00 51.12 O ATOM 1133 OE2 GLU A 72 8.270 18.647 -25.730 1.00 44.44 O ATOM 0 H GLU A 72 10.390 19.096 -22.173 1.00 13.53 H new ATOM 0 HA GLU A 72 8.967 21.526 -21.533 1.00 53.43 H new ATOM 0 HB2 GLU A 72 8.038 18.816 -22.599 1.00 23.30 H new ATOM 0 HB3 GLU A 72 7.066 20.274 -22.571 1.00 23.30 H new ATOM 0 HG2 GLU A 72 8.636 21.386 -24.119 1.00 74.40 H new ATOM 0 HG3 GLU A 72 9.682 19.979 -24.102 1.00 74.40 H new ATOM 1140 N GLU A 73 8.304 18.788 -19.782 1.00 33.52 N ATOM 1141 CA GLU A 73 7.622 18.308 -18.569 1.00 71.24 C ATOM 1142 C GLU A 73 8.572 18.196 -17.360 1.00 45.01 C ATOM 1143 O GLU A 73 8.136 18.304 -16.209 1.00 54.43 O ATOM 1144 CB GLU A 73 6.954 16.953 -18.854 1.00 64.44 C ATOM 1145 CG GLU A 73 5.940 16.989 -20.000 1.00 61.42 C ATOM 1146 CD GLU A 73 4.703 17.828 -19.687 1.00 61.32 C ATOM 1147 OE1 GLU A 73 4.810 19.070 -19.645 1.00 71.33 O ATOM 1148 OE2 GLU A 73 3.616 17.249 -19.472 1.00 22.14 O ATOM 0 H GLU A 73 8.797 18.063 -20.303 1.00 33.52 H new ATOM 0 HA GLU A 73 6.864 19.046 -18.304 1.00 71.24 H new ATOM 0 HB2 GLU A 73 7.726 16.221 -19.089 1.00 64.44 H new ATOM 0 HB3 GLU A 73 6.453 16.609 -17.949 1.00 64.44 H new ATOM 0 HG2 GLU A 73 6.424 17.387 -20.892 1.00 61.42 H new ATOM 0 HG3 GLU A 73 5.630 15.970 -20.233 1.00 61.42 H new ATOM 1155 N GLY A 74 9.859 17.968 -17.613 1.00 24.45 N ATOM 1156 CA GLY A 74 10.839 17.899 -16.528 1.00 50.25 C ATOM 1157 C GLY A 74 11.513 19.243 -16.236 1.00 73.15 C ATOM 1158 O GLY A 74 10.880 20.164 -15.720 1.00 24.53 O ATOM 0 H GLY A 74 10.245 17.829 -18.547 1.00 24.45 H new ATOM 0 HA2 GLY A 74 10.345 17.544 -15.624 1.00 50.25 H new ATOM 0 HA3 GLY A 74 11.603 17.165 -16.784 1.00 50.25 H new ATOM 1162 N THR A 75 12.802 19.348 -16.568 1.00 42.35 N ATOM 1163 CA THR A 75 13.581 20.581 -16.356 1.00 25.21 C ATOM 1164 C THR A 75 14.930 20.524 -17.089 1.00 71.04 C ATOM 1165 O THR A 75 15.351 19.461 -17.554 1.00 71.44 O ATOM 1166 CB THR A 75 13.853 20.851 -14.854 1.00 13.13 C ATOM 1167 OG1 THR A 75 14.687 22.011 -14.702 1.00 51.54 O ATOM 1168 CG2 THR A 75 14.522 19.650 -14.190 1.00 51.12 C ATOM 0 H THR A 75 13.337 18.588 -16.989 1.00 42.35 H new ATOM 0 HA THR A 75 12.973 21.391 -16.759 1.00 25.21 H new ATOM 0 HB THR A 75 12.894 21.026 -14.367 1.00 13.13 H new ATOM 0 HG1 THR A 75 14.851 22.173 -13.750 1.00 51.54 H new ATOM 0 HG21 THR A 75 14.700 19.869 -13.137 1.00 51.12 H new ATOM 0 HG22 THR A 75 13.872 18.779 -14.275 1.00 51.12 H new ATOM 0 HG23 THR A 75 15.472 19.444 -14.684 1.00 51.12 H new ATOM 1176 N GLN A 76 15.613 21.669 -17.167 1.00 62.32 N ATOM 1177 CA GLN A 76 16.918 21.766 -17.840 1.00 0.33 C ATOM 1178 C GLN A 76 17.940 20.773 -17.250 1.00 45.22 C ATOM 1179 O GLN A 76 18.756 20.201 -17.977 1.00 14.21 O ATOM 1180 CB GLN A 76 17.461 23.203 -17.728 1.00 52.34 C ATOM 1181 CG GLN A 76 18.835 23.413 -18.371 1.00 71.14 C ATOM 1182 CD GLN A 76 18.839 23.223 -19.882 1.00 1.02 C ATOM 1183 OE1 GLN A 76 19.829 22.785 -20.460 1.00 60.10 O ATOM 1184 NE2 GLN A 76 17.751 23.577 -20.540 1.00 64.01 N ATOM 0 H GLN A 76 15.284 22.549 -16.771 1.00 62.32 H new ATOM 0 HA GLN A 76 16.770 21.509 -18.889 1.00 0.33 H new ATOM 0 HB2 GLN A 76 16.748 23.885 -18.192 1.00 52.34 H new ATOM 0 HB3 GLN A 76 17.522 23.474 -16.674 1.00 52.34 H new ATOM 0 HG2 GLN A 76 19.185 24.419 -18.139 1.00 71.14 H new ATOM 0 HG3 GLN A 76 19.546 22.718 -17.924 1.00 71.14 H new ATOM 0 HE21 GLN A 76 16.943 23.938 -20.033 1.00 64.01 H new ATOM 0 HE22 GLN A 76 17.718 23.490 -21.556 1.00 64.01 H new ATOM 1193 N LYS A 77 17.881 20.573 -15.932 1.00 73.22 N ATOM 1194 CA LYS A 77 18.795 19.655 -15.235 1.00 52.24 C ATOM 1195 C LYS A 77 18.775 18.239 -15.839 1.00 14.21 C ATOM 1196 O LYS A 77 19.823 17.683 -16.178 1.00 53.21 O ATOM 1197 CB LYS A 77 18.418 19.593 -13.745 1.00 65.22 C ATOM 1198 CG LYS A 77 18.998 18.392 -12.996 1.00 64.23 C ATOM 1199 CD LYS A 77 18.527 18.345 -11.543 1.00 21.34 C ATOM 1200 CE LYS A 77 18.802 16.986 -10.903 1.00 32.45 C ATOM 1201 NZ LYS A 77 18.044 15.893 -11.577 1.00 14.03 N ATOM 0 H LYS A 77 17.208 21.035 -15.320 1.00 73.22 H new ATOM 0 HA LYS A 77 19.807 20.042 -15.353 1.00 52.24 H new ATOM 0 HB2 LYS A 77 18.757 20.508 -13.259 1.00 65.22 H new ATOM 0 HB3 LYS A 77 17.332 19.570 -13.658 1.00 65.22 H new ATOM 0 HG2 LYS A 77 18.705 17.472 -13.502 1.00 64.23 H new ATOM 0 HG3 LYS A 77 20.087 18.438 -13.023 1.00 64.23 H new ATOM 0 HD2 LYS A 77 19.031 19.125 -10.972 1.00 21.34 H new ATOM 0 HD3 LYS A 77 17.459 18.558 -11.500 1.00 21.34 H new ATOM 0 HE2 LYS A 77 19.870 16.771 -10.951 1.00 32.45 H new ATOM 0 HE3 LYS A 77 18.531 17.020 -9.848 1.00 32.45 H new ATOM 0 HZ1 LYS A 77 17.948 15.086 -10.928 1.00 14.03 H new ATOM 0 HZ2 LYS A 77 17.100 16.238 -11.843 1.00 14.03 H new ATOM 0 HZ3 LYS A 77 18.555 15.592 -12.431 1.00 14.03 H new ATOM 1215 N ASP A 78 17.580 17.669 -15.989 1.00 24.35 N ATOM 1216 CA ASP A 78 17.429 16.314 -16.531 1.00 11.31 C ATOM 1217 C ASP A 78 17.520 16.310 -18.060 1.00 13.03 C ATOM 1218 O ASP A 78 17.927 15.316 -18.666 1.00 53.33 O ATOM 1219 CB ASP A 78 16.108 15.708 -16.057 1.00 73.54 C ATOM 1220 CG ASP A 78 16.052 15.625 -14.543 1.00 44.23 C ATOM 1221 OD1 ASP A 78 16.507 14.607 -13.979 1.00 22.13 O ATOM 1222 OD2 ASP A 78 15.584 16.589 -13.909 1.00 14.54 O ATOM 0 H ASP A 78 16.700 18.123 -15.743 1.00 24.35 H new ATOM 0 HA ASP A 78 18.249 15.701 -16.158 1.00 11.31 H new ATOM 0 HB2 ASP A 78 15.277 16.312 -16.421 1.00 73.54 H new ATOM 0 HB3 ASP A 78 15.989 14.712 -16.483 1.00 73.54 H new ATOM 1227 N LEU A 79 17.147 17.428 -18.680 1.00 12.15 N ATOM 1228 CA LEU A 79 17.326 17.604 -20.123 1.00 25.35 C ATOM 1229 C LEU A 79 18.796 17.389 -20.513 1.00 73.25 C ATOM 1230 O LEU A 79 19.108 16.596 -21.402 1.00 73.21 O ATOM 1231 CB LEU A 79 16.877 19.010 -20.542 1.00 42.44 C ATOM 1232 CG LEU A 79 17.138 19.381 -22.012 1.00 73.01 C ATOM 1233 CD1 LEU A 79 16.332 18.487 -22.945 1.00 14.13 C ATOM 1234 CD2 LEU A 79 16.823 20.855 -22.266 1.00 43.35 C ATOM 0 H LEU A 79 16.720 18.225 -18.208 1.00 12.15 H new ATOM 0 HA LEU A 79 16.715 16.864 -20.640 1.00 25.35 H new ATOM 0 HB2 LEU A 79 15.809 19.104 -20.346 1.00 42.44 H new ATOM 0 HB3 LEU A 79 17.383 19.738 -19.907 1.00 42.44 H new ATOM 0 HG LEU A 79 18.196 19.222 -22.219 1.00 73.01 H new ATOM 0 HD11 LEU A 79 16.532 18.767 -23.979 1.00 14.13 H new ATOM 0 HD12 LEU A 79 16.618 17.447 -22.789 1.00 14.13 H new ATOM 0 HD13 LEU A 79 15.269 18.607 -22.735 1.00 14.13 H new ATOM 0 HD21 LEU A 79 17.015 21.093 -23.312 1.00 43.35 H new ATOM 0 HD22 LEU A 79 15.775 21.048 -22.037 1.00 43.35 H new ATOM 0 HD23 LEU A 79 17.454 21.477 -21.630 1.00 43.35 H new ATOM 1246 N SER A 80 19.690 18.095 -19.820 1.00 30.41 N ATOM 1247 CA SER A 80 21.135 17.995 -20.070 1.00 52.10 C ATOM 1248 C SER A 80 21.655 16.566 -19.857 1.00 21.03 C ATOM 1249 O SER A 80 22.567 16.122 -20.555 1.00 2.24 O ATOM 1250 CB SER A 80 21.905 18.964 -19.167 1.00 12.11 C ATOM 1251 OG SER A 80 23.308 18.858 -19.369 1.00 62.15 O ATOM 0 H SER A 80 19.440 18.747 -19.076 1.00 30.41 H new ATOM 0 HA SER A 80 21.300 18.262 -21.114 1.00 52.10 H new ATOM 0 HB2 SER A 80 21.583 19.986 -19.369 1.00 12.11 H new ATOM 0 HB3 SER A 80 21.669 18.756 -18.123 1.00 12.11 H new ATOM 0 HG SER A 80 23.772 19.489 -18.780 1.00 62.15 H new ATOM 1257 N GLU A 81 21.069 15.846 -18.894 1.00 54.13 N ATOM 1258 CA GLU A 81 21.443 14.444 -18.639 1.00 34.30 C ATOM 1259 C GLU A 81 21.265 13.591 -19.905 1.00 4.32 C ATOM 1260 O GLU A 81 22.182 12.898 -20.340 1.00 11.31 O ATOM 1261 CB GLU A 81 20.583 13.847 -17.508 1.00 52.31 C ATOM 1262 CG GLU A 81 20.701 14.565 -16.169 1.00 55.35 C ATOM 1263 CD GLU A 81 22.093 14.473 -15.566 1.00 42.13 C ATOM 1264 OE1 GLU A 81 22.488 13.368 -15.145 1.00 72.11 O ATOM 1265 OE2 GLU A 81 22.790 15.507 -15.502 1.00 60.01 O ATOM 0 H GLU A 81 20.338 16.205 -18.280 1.00 54.13 H new ATOM 0 HA GLU A 81 22.492 14.434 -18.342 1.00 34.30 H new ATOM 0 HB2 GLU A 81 19.539 13.859 -17.820 1.00 52.31 H new ATOM 0 HB3 GLU A 81 20.863 12.803 -17.370 1.00 52.31 H new ATOM 0 HG2 GLU A 81 20.437 15.614 -16.301 1.00 55.35 H new ATOM 0 HG3 GLU A 81 19.980 14.140 -15.471 1.00 55.35 H new ATOM 1272 N LEU A 82 20.074 13.665 -20.495 1.00 32.25 N ATOM 1273 CA LEU A 82 19.747 12.890 -21.696 1.00 3.04 C ATOM 1274 C LEU A 82 20.471 13.442 -22.936 1.00 24.41 C ATOM 1275 O LEU A 82 20.855 12.688 -23.836 1.00 52.42 O ATOM 1276 CB LEU A 82 18.229 12.893 -21.907 1.00 62.12 C ATOM 1277 CG LEU A 82 17.417 12.309 -20.737 1.00 45.14 C ATOM 1278 CD1 LEU A 82 15.923 12.461 -20.986 1.00 73.13 C ATOM 1279 CD2 LEU A 82 17.779 10.843 -20.508 1.00 74.24 C ATOM 0 H LEU A 82 19.313 14.257 -20.161 1.00 32.25 H new ATOM 0 HA LEU A 82 20.089 11.865 -21.552 1.00 3.04 H new ATOM 0 HB2 LEU A 82 17.902 13.918 -22.083 1.00 62.12 H new ATOM 0 HB3 LEU A 82 18.000 12.326 -22.809 1.00 62.12 H new ATOM 0 HG LEU A 82 17.670 12.868 -19.836 1.00 45.14 H new ATOM 0 HD11 LEU A 82 15.370 12.041 -20.146 1.00 73.13 H new ATOM 0 HD12 LEU A 82 15.677 13.518 -21.091 1.00 73.13 H new ATOM 0 HD13 LEU A 82 15.651 11.933 -21.900 1.00 73.13 H new ATOM 0 HD21 LEU A 82 17.194 10.449 -19.677 1.00 74.24 H new ATOM 0 HD22 LEU A 82 17.561 10.269 -21.409 1.00 74.24 H new ATOM 0 HD23 LEU A 82 18.841 10.763 -20.275 1.00 74.24 H new ATOM 1291 N GLN A 83 20.649 14.762 -22.974 1.00 52.32 N ATOM 1292 CA GLN A 83 21.431 15.416 -24.029 1.00 14.22 C ATOM 1293 C GLN A 83 22.864 14.870 -24.074 1.00 74.33 C ATOM 1294 O GLN A 83 23.362 14.476 -25.134 1.00 73.23 O ATOM 1295 CB GLN A 83 21.451 16.939 -23.803 1.00 61.44 C ATOM 1296 CG GLN A 83 20.137 17.631 -24.155 1.00 74.34 C ATOM 1297 CD GLN A 83 19.955 17.806 -25.653 1.00 24.01 C ATOM 1298 OE1 GLN A 83 19.456 16.926 -26.339 1.00 43.25 O ATOM 1299 NE2 GLN A 83 20.365 18.943 -26.172 1.00 12.42 N ATOM 0 H GLN A 83 20.261 15.405 -22.283 1.00 52.32 H new ATOM 0 HA GLN A 83 20.957 15.201 -24.987 1.00 14.22 H new ATOM 0 HB2 GLN A 83 21.688 17.139 -22.758 1.00 61.44 H new ATOM 0 HB3 GLN A 83 22.252 17.375 -24.400 1.00 61.44 H new ATOM 0 HG2 GLN A 83 19.306 17.049 -23.757 1.00 74.34 H new ATOM 0 HG3 GLN A 83 20.103 18.607 -23.672 1.00 74.34 H new ATOM 0 HE21 GLN A 83 20.777 19.658 -25.573 1.00 12.42 H new ATOM 0 HE22 GLN A 83 20.270 19.110 -27.174 1.00 12.42 H new ATOM 1308 N ASP A 84 23.513 14.839 -22.916 1.00 23.51 N ATOM 1309 CA ASP A 84 24.878 14.334 -22.801 1.00 10.12 C ATOM 1310 C ASP A 84 24.913 12.801 -22.953 1.00 41.34 C ATOM 1311 O ASP A 84 25.835 12.248 -23.553 1.00 3.53 O ATOM 1312 CB ASP A 84 25.467 14.756 -21.450 1.00 73.40 C ATOM 1313 CG ASP A 84 26.964 14.526 -21.367 1.00 51.04 C ATOM 1314 OD1 ASP A 84 27.725 15.321 -21.966 1.00 10.43 O ATOM 1315 OD2 ASP A 84 27.387 13.551 -20.713 1.00 73.14 O ATOM 0 H ASP A 84 23.112 15.161 -22.035 1.00 23.51 H new ATOM 0 HA ASP A 84 25.480 14.760 -23.604 1.00 10.12 H new ATOM 0 HB2 ASP A 84 25.256 15.812 -21.280 1.00 73.40 H new ATOM 0 HB3 ASP A 84 24.973 14.200 -20.653 1.00 73.40 H new ATOM 1320 N ALA A 85 23.890 12.126 -22.422 1.00 53.12 N ATOM 1321 CA ALA A 85 23.791 10.660 -22.496 1.00 41.10 C ATOM 1322 C ALA A 85 23.802 10.151 -23.947 1.00 21.12 C ATOM 1323 O ALA A 85 24.564 9.247 -24.290 1.00 3.04 O ATOM 1324 CB ALA A 85 22.539 10.174 -21.775 1.00 3.13 C ATOM 0 H ALA A 85 23.113 12.571 -21.933 1.00 53.12 H new ATOM 0 HA ALA A 85 24.672 10.251 -22.000 1.00 41.10 H new ATOM 0 HB1 ALA A 85 22.481 9.087 -21.839 1.00 3.13 H new ATOM 0 HB2 ALA A 85 22.583 10.474 -20.728 1.00 3.13 H new ATOM 0 HB3 ALA A 85 21.657 10.613 -22.242 1.00 3.13 H new ATOM 1330 N LYS A 86 22.957 10.726 -24.801 1.00 21.11 N ATOM 1331 CA LYS A 86 22.941 10.338 -26.216 1.00 4.00 C ATOM 1332 C LYS A 86 24.263 10.732 -26.894 1.00 43.20 C ATOM 1333 O LYS A 86 24.785 10.007 -27.739 1.00 41.12 O ATOM 1334 CB LYS A 86 21.755 10.982 -26.956 1.00 13.13 C ATOM 1335 CG LYS A 86 21.927 12.473 -27.242 1.00 52.02 C ATOM 1336 CD LYS A 86 20.774 13.032 -28.077 1.00 31.14 C ATOM 1337 CE LYS A 86 21.069 14.439 -28.588 1.00 14.23 C ATOM 1338 NZ LYS A 86 21.317 15.406 -27.486 1.00 51.25 N ATOM 0 H LYS A 86 22.284 11.450 -24.547 1.00 21.11 H new ATOM 0 HA LYS A 86 22.825 9.255 -26.265 1.00 4.00 H new ATOM 0 HB2 LYS A 86 21.603 10.458 -27.900 1.00 13.13 H new ATOM 0 HB3 LYS A 86 20.851 10.840 -26.363 1.00 13.13 H new ATOM 0 HG2 LYS A 86 21.990 13.018 -26.300 1.00 52.02 H new ATOM 0 HG3 LYS A 86 22.868 12.635 -27.768 1.00 52.02 H new ATOM 0 HD2 LYS A 86 20.585 12.371 -28.923 1.00 31.14 H new ATOM 0 HD3 LYS A 86 19.865 13.048 -27.476 1.00 31.14 H new ATOM 0 HE2 LYS A 86 21.940 14.409 -29.243 1.00 14.23 H new ATOM 0 HE3 LYS A 86 20.229 14.787 -29.190 1.00 14.23 H new ATOM 0 HZ1 LYS A 86 21.692 16.292 -27.880 1.00 51.25 H new ATOM 0 HZ2 LYS A 86 20.426 15.599 -26.986 1.00 51.25 H new ATOM 0 HZ3 LYS A 86 22.007 15.004 -26.820 1.00 51.25 H new ATOM 1352 N LEU A 87 24.813 11.872 -26.479 1.00 40.14 N ATOM 1353 CA LEU A 87 26.034 12.419 -27.077 1.00 31.24 C ATOM 1354 C LEU A 87 27.270 11.557 -26.759 1.00 63.52 C ATOM 1355 O LEU A 87 28.147 11.378 -27.607 1.00 54.35 O ATOM 1356 CB LEU A 87 26.242 13.856 -26.586 1.00 35.01 C ATOM 1357 CG LEU A 87 27.412 14.620 -27.229 1.00 25.44 C ATOM 1358 CD1 LEU A 87 27.239 14.711 -28.744 1.00 22.25 C ATOM 1359 CD2 LEU A 87 27.537 16.011 -26.612 1.00 51.52 C ATOM 0 H LEU A 87 24.429 12.441 -25.724 1.00 40.14 H new ATOM 0 HA LEU A 87 25.912 12.414 -28.160 1.00 31.24 H new ATOM 0 HB2 LEU A 87 25.325 14.417 -26.764 1.00 35.01 H new ATOM 0 HB3 LEU A 87 26.397 13.833 -25.507 1.00 35.01 H new ATOM 0 HG LEU A 87 28.332 14.070 -27.032 1.00 25.44 H new ATOM 0 HD11 LEU A 87 28.079 15.256 -29.174 1.00 22.25 H new ATOM 0 HD12 LEU A 87 27.203 13.707 -29.167 1.00 22.25 H new ATOM 0 HD13 LEU A 87 26.311 15.235 -28.973 1.00 22.25 H new ATOM 0 HD21 LEU A 87 28.369 16.541 -27.076 1.00 51.52 H new ATOM 0 HD22 LEU A 87 26.614 16.567 -26.778 1.00 51.52 H new ATOM 0 HD23 LEU A 87 27.717 15.919 -25.541 1.00 51.52 H new ATOM 1371 N LYS A 88 27.347 11.031 -25.536 1.00 55.30 N ATOM 1372 CA LYS A 88 28.455 10.142 -25.159 1.00 31.41 C ATOM 1373 C LYS A 88 28.319 8.782 -25.865 1.00 5.53 C ATOM 1374 O LYS A 88 29.305 8.068 -26.058 1.00 32.42 O ATOM 1375 CB LYS A 88 28.543 9.986 -23.623 1.00 55.44 C ATOM 1376 CG LYS A 88 27.327 9.337 -22.955 1.00 65.03 C ATOM 1377 CD LYS A 88 27.360 7.810 -23.036 1.00 5.23 C ATOM 1378 CE LYS A 88 26.117 7.179 -22.423 1.00 31.20 C ATOM 1379 NZ LYS A 88 26.172 5.695 -22.463 1.00 2.14 N ATOM 0 H LYS A 88 26.666 11.200 -24.795 1.00 55.30 H new ATOM 0 HA LYS A 88 29.390 10.594 -25.490 1.00 31.41 H new ATOM 0 HB2 LYS A 88 29.426 9.392 -23.386 1.00 55.44 H new ATOM 0 HB3 LYS A 88 28.694 10.972 -23.183 1.00 55.44 H new ATOM 0 HG2 LYS A 88 27.285 9.641 -21.909 1.00 65.03 H new ATOM 0 HG3 LYS A 88 26.417 9.703 -23.430 1.00 65.03 H new ATOM 0 HD2 LYS A 88 27.445 7.504 -24.079 1.00 5.23 H new ATOM 0 HD3 LYS A 88 28.246 7.439 -22.521 1.00 5.23 H new ATOM 0 HE2 LYS A 88 26.013 7.511 -21.390 1.00 31.20 H new ATOM 0 HE3 LYS A 88 25.233 7.524 -22.959 1.00 31.20 H new ATOM 0 HZ1 LYS A 88 25.232 5.307 -22.245 1.00 2.14 H new ATOM 0 HZ2 LYS A 88 26.464 5.384 -23.412 1.00 2.14 H new ATOM 0 HZ3 LYS A 88 26.859 5.354 -21.760 1.00 2.14 H new ATOM 1393 N ALA A 89 27.084 8.438 -26.245 1.00 64.52 N ATOM 1394 CA ALA A 89 26.813 7.238 -27.045 1.00 33.50 C ATOM 1395 C ALA A 89 27.242 7.455 -28.505 1.00 34.54 C ATOM 1396 O ALA A 89 27.850 6.581 -29.126 1.00 24.33 O ATOM 1397 CB ALA A 89 25.332 6.877 -26.965 1.00 50.42 C ATOM 0 H ALA A 89 26.251 8.977 -26.010 1.00 64.52 H new ATOM 0 HA ALA A 89 27.394 6.409 -26.641 1.00 33.50 H new ATOM 0 HB1 ALA A 89 25.142 5.985 -27.562 1.00 50.42 H new ATOM 0 HB2 ALA A 89 25.060 6.683 -25.927 1.00 50.42 H new ATOM 0 HB3 ALA A 89 24.735 7.704 -27.348 1.00 50.42 H new ATOM 1403 N GLU A 90 26.933 8.638 -29.039 1.00 33.11 N ATOM 1404 CA GLU A 90 27.384 9.035 -30.380 1.00 4.35 C ATOM 1405 C GLU A 90 28.918 9.022 -30.475 1.00 72.44 C ATOM 1406 O GLU A 90 29.490 8.801 -31.544 1.00 54.41 O ATOM 1407 CB GLU A 90 26.856 10.437 -30.727 1.00 2.52 C ATOM 1408 CG GLU A 90 25.335 10.533 -30.768 1.00 35.22 C ATOM 1409 CD GLU A 90 24.846 11.939 -31.081 1.00 12.12 C ATOM 1410 OE1 GLU A 90 24.800 12.303 -32.276 1.00 21.32 O ATOM 1411 OE2 GLU A 90 24.514 12.692 -30.140 1.00 42.00 O ATOM 0 H GLU A 90 26.370 9.343 -28.563 1.00 33.11 H new ATOM 0 HA GLU A 90 26.987 8.313 -31.093 1.00 4.35 H new ATOM 0 HB2 GLU A 90 27.235 11.149 -29.994 1.00 2.52 H new ATOM 0 HB3 GLU A 90 27.255 10.735 -31.697 1.00 2.52 H new ATOM 0 HG2 GLU A 90 24.951 9.843 -31.520 1.00 35.22 H new ATOM 0 HG3 GLU A 90 24.929 10.216 -29.807 1.00 35.22 H new ATOM 1418 N GLY A 91 29.575 9.261 -29.341 1.00 11.13 N ATOM 1419 CA GLY A 91 31.033 9.239 -29.285 1.00 64.42 C ATOM 1420 C GLY A 91 31.623 7.844 -29.057 1.00 74.11 C ATOM 1421 O GLY A 91 32.845 7.697 -28.963 1.00 21.12 O ATOM 0 H GLY A 91 29.121 9.471 -28.452 1.00 11.13 H new ATOM 0 HA2 GLY A 91 31.429 9.643 -30.217 1.00 64.42 H new ATOM 0 HA3 GLY A 91 31.366 9.899 -28.484 1.00 64.42 H new ATOM 1425 N LEU A 92 30.766 6.824 -28.962 1.00 65.12 N ATOM 1426 CA LEU A 92 31.222 5.433 -28.798 1.00 61.12 C ATOM 1427 C LEU A 92 31.537 4.785 -30.152 1.00 54.14 C ATOM 1428 O LEU A 92 32.649 4.300 -30.379 1.00 63.11 O ATOM 1429 CB LEU A 92 30.161 4.595 -28.066 1.00 22.22 C ATOM 1430 CG LEU A 92 29.908 4.979 -26.601 1.00 10.34 C ATOM 1431 CD1 LEU A 92 28.776 4.140 -26.015 1.00 21.42 C ATOM 1432 CD2 LEU A 92 31.183 4.817 -25.775 1.00 2.43 C ATOM 0 H LEU A 92 29.752 6.931 -28.995 1.00 65.12 H new ATOM 0 HA LEU A 92 32.135 5.460 -28.203 1.00 61.12 H new ATOM 0 HB2 LEU A 92 29.221 4.675 -28.612 1.00 22.22 H new ATOM 0 HB3 LEU A 92 30.462 3.548 -28.102 1.00 22.22 H new ATOM 0 HG LEU A 92 29.610 6.027 -26.567 1.00 10.34 H new ATOM 0 HD11 LEU A 92 28.611 4.426 -24.976 1.00 21.42 H new ATOM 0 HD12 LEU A 92 27.864 4.309 -26.587 1.00 21.42 H new ATOM 0 HD13 LEU A 92 29.043 3.084 -26.062 1.00 21.42 H new ATOM 0 HD21 LEU A 92 30.984 5.094 -24.740 1.00 2.43 H new ATOM 0 HD22 LEU A 92 31.514 3.779 -25.816 1.00 2.43 H new ATOM 0 HD23 LEU A 92 31.963 5.462 -26.179 1.00 2.43 H new