USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 885 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 64 ASN : amide:sc= -4.29 K(o=-6.4,f=-12!) USER MOD Set 1.2: A 96 GLN : amide:sc= -2.16 K(o=-6.4,f=-8.8!) USER MOD Set 2.1: A 59 HIS :FLIP no HD1:sc= -7.62! C(o=-13!,f=-11!) USER MOD Set 2.2: A 92 HIS :FLIP no HD1:sc= -3.04! C(o=-12!,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= -2.85! (180deg=-5.23!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.95 K(o=-1.9,f=-3.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.098) USER MOD Single : A 32 TYR OH : rot 41:sc= -1.06! USER MOD Single : A 37 THR OG1 : rot -159:sc= -2.12 USER MOD Single : A 41 TYR OH : rot -138:sc= -1.3! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.409 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 51 ASN :FLIP amide:sc= -1.44! C(o=-2.1!,f=-1.4!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 55 GLN : amide:sc= -0.859 X(o=-0.86,f=-0.53) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -64:sc= -1.69 USER MOD Single : A 66 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 83:sc= 0.504 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.543 F(o=-1.5,f=-0.54) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.992! F(o=-1.7,f=-0.99!) USER MOD Single : A 91 GLN :FLIP amide:sc= -6.17! C(o=-8.1!,f=-6.2!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.317 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= -2.01! (180deg=-2.82!) USER MOD Single : A 109 SER OG : rot -44:sc= 0.433 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 174:sc= 1.08 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 104.377 -7.127 13.219 1.00 0.00 N ATOM 36 CA PRO A 3 104.061 -7.714 11.883 1.00 0.00 C ATOM 37 C PRO A 3 102.852 -8.653 11.940 1.00 0.00 C ATOM 38 O PRO A 3 102.988 -9.846 12.129 1.00 0.00 O ATOM 39 CB PRO A 3 105.328 -8.490 11.508 1.00 0.00 C ATOM 40 CG PRO A 3 106.039 -8.749 12.796 1.00 0.00 C ATOM 41 CD PRO A 3 105.667 -7.607 13.738 1.00 0.00 C ATOM 0 HA PRO A 3 103.797 -6.946 11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 3 105.080 -9.424 11.003 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.952 -7.914 10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 3 105.742 -9.710 13.216 1.00 0.00 H new ATOM 0 HG3 PRO A 3 107.117 -8.788 12.642 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.580 -7.951 14.769 1.00 0.00 H new ATOM 0 HD3 PRO A 3 106.420 -6.819 13.728 1.00 0.00 H new ATOM 49 N GLU A 4 101.670 -8.122 11.781 1.00 0.00 N ATOM 50 CA GLU A 4 100.455 -8.982 11.831 1.00 0.00 C ATOM 51 C GLU A 4 100.217 -9.630 10.466 1.00 0.00 C ATOM 52 O GLU A 4 99.798 -10.768 10.374 1.00 0.00 O ATOM 53 CB GLU A 4 99.238 -8.131 12.208 1.00 0.00 C ATOM 54 CG GLU A 4 99.681 -6.957 13.085 1.00 0.00 C ATOM 55 CD GLU A 4 100.390 -7.486 14.333 1.00 0.00 C ATOM 56 OE1 GLU A 4 100.321 -8.682 14.568 1.00 0.00 O ATOM 57 OE2 GLU A 4 100.991 -6.688 15.033 1.00 0.00 O ATOM 0 H GLU A 4 101.494 -7.130 11.619 1.00 0.00 H new ATOM 0 HA GLU A 4 100.602 -9.762 12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.748 -7.760 11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 4 98.507 -8.740 12.740 1.00 0.00 H new ATOM 0 HG2 GLU A 4 100.349 -6.304 12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 4 98.817 -6.358 13.372 1.00 0.00 H new ATOM 64 N PHE A 5 100.472 -8.917 9.405 1.00 0.00 N ATOM 65 CA PHE A 5 100.249 -9.496 8.048 1.00 0.00 C ATOM 66 C PHE A 5 101.286 -10.585 7.766 1.00 0.00 C ATOM 67 O PHE A 5 101.064 -11.468 6.961 1.00 0.00 O ATOM 68 CB PHE A 5 100.363 -8.396 6.988 1.00 0.00 C ATOM 69 CG PHE A 5 99.707 -8.872 5.715 1.00 0.00 C ATOM 70 CD1 PHE A 5 100.490 -9.237 4.615 1.00 0.00 C ATOM 71 CD2 PHE A 5 98.315 -8.966 5.642 1.00 0.00 C ATOM 72 CE1 PHE A 5 99.880 -9.695 3.441 1.00 0.00 C ATOM 73 CE2 PHE A 5 97.704 -9.420 4.471 1.00 0.00 C ATOM 74 CZ PHE A 5 98.485 -9.788 3.370 1.00 0.00 C ATOM 0 H PHE A 5 100.825 -7.960 9.417 1.00 0.00 H new ATOM 0 HA PHE A 5 99.251 -9.933 8.011 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.884 -7.483 7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.410 -8.156 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 5 101.566 -9.165 4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 5 97.710 -8.687 6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 5 100.485 -9.976 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 5 96.628 -9.487 4.415 1.00 0.00 H new ATOM 0 HZ PHE A 5 98.012 -10.143 2.466 1.00 0.00 H new ATOM 84 N LEU A 6 102.416 -10.533 8.413 1.00 0.00 N ATOM 85 CA LEU A 6 103.458 -11.569 8.169 1.00 0.00 C ATOM 86 C LEU A 6 103.125 -12.831 8.964 1.00 0.00 C ATOM 87 O LEU A 6 103.283 -13.937 8.489 1.00 0.00 O ATOM 88 CB LEU A 6 104.824 -11.036 8.606 1.00 0.00 C ATOM 89 CG LEU A 6 104.914 -9.544 8.286 1.00 0.00 C ATOM 90 CD1 LEU A 6 106.351 -9.063 8.495 1.00 0.00 C ATOM 91 CD2 LEU A 6 104.507 -9.311 6.830 1.00 0.00 C ATOM 0 H LEU A 6 102.663 -9.820 9.099 1.00 0.00 H new ATOM 0 HA LEU A 6 103.485 -11.808 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.965 -11.199 9.674 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.619 -11.578 8.093 1.00 0.00 H new ATOM 0 HG LEU A 6 104.246 -8.990 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 6 106.415 -7.999 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 6 106.644 -9.230 9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 6 107.020 -9.617 7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 6 104.571 -8.247 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 6 105.176 -9.865 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 6 103.484 -9.654 6.679 1.00 0.00 H new ATOM 103 N LYS A 7 102.666 -12.673 10.173 1.00 0.00 N ATOM 104 CA LYS A 7 102.324 -13.860 11.003 1.00 0.00 C ATOM 105 C LYS A 7 100.823 -14.143 10.900 1.00 0.00 C ATOM 106 O LYS A 7 100.304 -15.030 11.549 1.00 0.00 O ATOM 107 CB LYS A 7 102.694 -13.588 12.463 1.00 0.00 C ATOM 108 CG LYS A 7 101.679 -12.621 13.074 1.00 0.00 C ATOM 109 CD LYS A 7 102.244 -12.036 14.371 1.00 0.00 C ATOM 110 CE LYS A 7 101.090 -11.601 15.278 1.00 0.00 C ATOM 111 NZ LYS A 7 99.921 -11.209 14.443 1.00 0.00 N ATOM 0 H LYS A 7 102.513 -11.771 10.623 1.00 0.00 H new ATOM 0 HA LYS A 7 102.881 -14.725 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 7 102.708 -14.521 13.026 1.00 0.00 H new ATOM 0 HB3 LYS A 7 103.697 -13.165 12.523 1.00 0.00 H new ATOM 0 HG2 LYS A 7 101.455 -11.820 12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 7 100.742 -13.140 13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 7 102.861 -12.778 14.879 1.00 0.00 H new ATOM 0 HD3 LYS A 7 102.887 -11.185 14.149 1.00 0.00 H new ATOM 0 HE2 LYS A 7 100.814 -12.415 15.949 1.00 0.00 H new ATOM 0 HE3 LYS A 7 101.401 -10.764 15.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 99.751 -10.188 14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 100.116 -11.433 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 99.079 -11.732 14.757 1.00 0.00 H new ATOM 125 N ALA A 8 100.121 -13.394 10.093 1.00 0.00 N ATOM 126 CA ALA A 8 98.654 -13.621 9.952 1.00 0.00 C ATOM 127 C ALA A 8 98.396 -15.086 9.591 1.00 0.00 C ATOM 128 O ALA A 8 99.265 -15.928 9.711 1.00 0.00 O ATOM 129 CB ALA A 8 98.100 -12.719 8.848 1.00 0.00 C ATOM 0 H ALA A 8 100.500 -12.635 9.526 1.00 0.00 H new ATOM 0 HA ALA A 8 98.159 -13.386 10.894 1.00 0.00 H new ATOM 0 HB1 ALA A 8 97.028 -12.886 8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 8 98.282 -11.676 9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.595 -12.952 7.905 1.00 0.00 H new ATOM 135 N GLY A 9 97.209 -15.397 9.148 1.00 0.00 N ATOM 136 CA GLY A 9 96.896 -16.807 8.781 1.00 0.00 C ATOM 137 C GLY A 9 96.404 -17.560 10.018 1.00 0.00 C ATOM 138 O GLY A 9 97.040 -18.481 10.489 1.00 0.00 O ATOM 0 H GLY A 9 96.442 -14.736 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.135 -16.830 8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.783 -17.294 8.375 1.00 0.00 H new ATOM 142 N LYS A 10 95.277 -17.171 10.550 1.00 0.00 N ATOM 143 CA LYS A 10 94.744 -17.861 11.755 1.00 0.00 C ATOM 144 C LYS A 10 93.219 -17.944 11.666 1.00 0.00 C ATOM 145 O LYS A 10 92.542 -18.166 12.651 1.00 0.00 O ATOM 146 CB LYS A 10 95.143 -17.076 13.008 1.00 0.00 C ATOM 147 CG LYS A 10 94.706 -15.613 12.867 1.00 0.00 C ATOM 148 CD LYS A 10 93.404 -15.384 13.639 1.00 0.00 C ATOM 149 CE LYS A 10 93.056 -13.895 13.625 1.00 0.00 C ATOM 150 NZ LYS A 10 91.700 -13.695 14.209 1.00 0.00 N ATOM 0 H LYS A 10 94.703 -16.404 10.200 1.00 0.00 H new ATOM 0 HA LYS A 10 95.157 -18.868 11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.680 -17.520 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 10 96.222 -17.130 13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 10 95.486 -14.953 13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 10 94.564 -15.366 11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 10 92.596 -15.961 13.189 1.00 0.00 H new ATOM 0 HD3 LYS A 10 93.512 -15.733 14.666 1.00 0.00 H new ATOM 0 HE2 LYS A 10 93.795 -13.333 14.195 1.00 0.00 H new ATOM 0 HE3 LYS A 10 93.084 -13.514 12.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 91.464 -12.682 14.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 90.999 -14.219 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 91.689 -14.044 15.189 1.00 0.00 H new ATOM 164 N GLU A 11 92.671 -17.770 10.495 1.00 0.00 N ATOM 165 CA GLU A 11 91.192 -17.841 10.347 1.00 0.00 C ATOM 166 C GLU A 11 90.841 -18.199 8.897 1.00 0.00 C ATOM 167 O GLU A 11 91.387 -17.640 7.967 1.00 0.00 O ATOM 168 CB GLU A 11 90.581 -16.483 10.698 1.00 0.00 C ATOM 169 CG GLU A 11 91.049 -15.434 9.687 1.00 0.00 C ATOM 170 CD GLU A 11 90.137 -15.463 8.459 1.00 0.00 C ATOM 171 OE1 GLU A 11 90.661 -15.519 7.359 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.932 -15.430 8.640 1.00 0.00 O ATOM 0 H GLU A 11 93.185 -17.582 9.634 1.00 0.00 H new ATOM 0 HA GLU A 11 90.795 -18.604 11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 11 89.493 -16.550 10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 11 90.876 -16.189 11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 11 91.033 -14.443 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 11 92.079 -15.633 9.392 1.00 0.00 H new ATOM 179 N PRO A 12 89.933 -19.126 8.702 1.00 0.00 N ATOM 180 CA PRO A 12 89.507 -19.558 7.338 1.00 0.00 C ATOM 181 C PRO A 12 88.591 -18.533 6.664 1.00 0.00 C ATOM 182 O PRO A 12 87.382 -18.640 6.715 1.00 0.00 O ATOM 183 CB PRO A 12 88.750 -20.861 7.595 1.00 0.00 C ATOM 184 CG PRO A 12 88.222 -20.739 8.985 1.00 0.00 C ATOM 185 CD PRO A 12 89.215 -19.864 9.755 1.00 0.00 C ATOM 0 HA PRO A 12 90.356 -19.670 6.664 1.00 0.00 H new ATOM 0 HB2 PRO A 12 87.941 -20.995 6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 12 89.408 -21.724 7.498 1.00 0.00 H new ATOM 0 HG2 PRO A 12 87.229 -20.289 8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 12 88.127 -21.720 9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.703 -19.187 10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 12 89.897 -20.467 10.355 1.00 0.00 H new ATOM 193 N GLY A 13 89.154 -17.540 6.031 1.00 0.00 N ATOM 194 CA GLY A 13 88.310 -16.515 5.355 1.00 0.00 C ATOM 195 C GLY A 13 89.206 -15.445 4.727 1.00 0.00 C ATOM 196 O GLY A 13 89.767 -15.634 3.667 1.00 0.00 O ATOM 0 H GLY A 13 90.161 -17.395 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 13 87.695 -16.985 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 13 87.630 -16.058 6.074 1.00 0.00 H new ATOM 200 N LEU A 14 89.344 -14.320 5.375 1.00 0.00 N ATOM 201 CA LEU A 14 90.201 -13.238 4.817 1.00 0.00 C ATOM 202 C LEU A 14 90.553 -12.243 5.925 1.00 0.00 C ATOM 203 O LEU A 14 89.817 -12.080 6.880 1.00 0.00 O ATOM 204 CB LEU A 14 89.446 -12.514 3.697 1.00 0.00 C ATOM 205 CG LEU A 14 90.250 -11.291 3.235 1.00 0.00 C ATOM 206 CD1 LEU A 14 90.124 -11.133 1.716 1.00 0.00 C ATOM 207 CD2 LEU A 14 89.710 -10.032 3.920 1.00 0.00 C ATOM 0 H LEU A 14 88.899 -14.104 6.267 1.00 0.00 H new ATOM 0 HA LEU A 14 91.117 -13.671 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 14 89.283 -13.191 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 14 88.463 -12.202 4.051 1.00 0.00 H new ATOM 0 HG LEU A 14 91.298 -11.431 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.696 -10.264 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.510 -12.026 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 14 89.076 -10.997 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 14 90.282 -9.165 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 88.661 -9.896 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 14 89.802 -10.138 5.001 1.00 0.00 H new ATOM 219 N GLN A 15 91.669 -11.578 5.809 1.00 0.00 N ATOM 220 CA GLN A 15 92.066 -10.595 6.859 1.00 0.00 C ATOM 221 C GLN A 15 92.570 -9.312 6.195 1.00 0.00 C ATOM 222 O GLN A 15 93.232 -9.348 5.175 1.00 0.00 O ATOM 223 CB GLN A 15 93.175 -11.194 7.723 1.00 0.00 C ATOM 224 CG GLN A 15 92.787 -12.614 8.140 1.00 0.00 C ATOM 225 CD GLN A 15 93.488 -12.972 9.452 1.00 0.00 C ATOM 226 OE1 GLN A 15 93.059 -12.569 10.514 1.00 0.00 O ATOM 227 NE2 GLN A 15 94.559 -13.719 9.422 1.00 0.00 N ATOM 0 H GLN A 15 92.324 -11.672 5.033 1.00 0.00 H new ATOM 0 HA GLN A 15 91.204 -10.363 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 15 94.114 -11.210 7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 15 93.337 -10.576 8.606 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.706 -12.686 8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 15 93.068 -13.322 7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.920 -14.058 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 15 95.035 -13.964 10.291 1.00 0.00 H new ATOM 236 N ILE A 16 92.260 -8.177 6.764 1.00 0.00 N ATOM 237 CA ILE A 16 92.715 -6.888 6.169 1.00 0.00 C ATOM 238 C ILE A 16 93.647 -6.167 7.145 1.00 0.00 C ATOM 239 O ILE A 16 93.361 -6.046 8.319 1.00 0.00 O ATOM 240 CB ILE A 16 91.499 -6.001 5.885 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.420 -6.819 5.171 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.918 -4.826 4.998 1.00 0.00 C ATOM 243 CD1 ILE A 16 89.107 -6.034 5.155 1.00 0.00 C ATOM 0 H ILE A 16 91.709 -8.088 7.618 1.00 0.00 H new ATOM 0 HA ILE A 16 93.249 -7.090 5.241 1.00 0.00 H new ATOM 0 HB ILE A 16 91.102 -5.622 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.734 -7.043 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.278 -7.774 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 16 91.052 -4.195 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.683 -4.240 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.318 -5.205 4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.340 -6.618 4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.791 -5.833 6.179 1.00 0.00 H new ATOM 0 HD13 ILE A 16 89.253 -5.091 4.629 1.00 0.00 H new ATOM 255 N TRP A 17 94.762 -5.683 6.664 1.00 0.00 N ATOM 256 CA TRP A 17 95.713 -4.965 7.559 1.00 0.00 C ATOM 257 C TRP A 17 96.272 -3.744 6.820 1.00 0.00 C ATOM 258 O TRP A 17 96.900 -3.869 5.787 1.00 0.00 O ATOM 259 CB TRP A 17 96.859 -5.907 7.943 1.00 0.00 C ATOM 260 CG TRP A 17 96.609 -6.496 9.297 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.692 -5.818 10.466 1.00 0.00 C ATOM 262 CD2 TRP A 17 96.244 -7.864 9.643 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.405 -6.684 11.506 1.00 0.00 N ATOM 264 CE2 TRP A 17 96.123 -7.958 11.050 1.00 0.00 C ATOM 265 CE3 TRP A 17 96.010 -9.023 8.882 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.784 -9.157 11.677 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.669 -10.231 9.509 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.556 -10.299 10.904 1.00 0.00 C ATOM 0 H TRP A 17 95.054 -5.755 5.689 1.00 0.00 H new ATOM 0 HA TRP A 17 95.198 -4.639 8.463 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.950 -6.702 7.203 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.803 -5.362 7.943 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.941 -4.772 10.570 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.402 -6.415 12.490 1.00 0.00 H new ATOM 0 HE3 TRP A 17 96.093 -8.983 7.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.698 -9.203 12.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.493 -11.114 8.913 1.00 0.00 H new ATOM 0 HH2 TRP A 17 95.293 -11.232 11.381 1.00 0.00 H new ATOM 279 N ARG A 18 96.047 -2.567 7.337 1.00 0.00 N ATOM 280 CA ARG A 18 96.564 -1.343 6.658 1.00 0.00 C ATOM 281 C ARG A 18 98.008 -1.083 7.095 1.00 0.00 C ATOM 282 O ARG A 18 98.423 -1.477 8.166 1.00 0.00 O ATOM 283 CB ARG A 18 95.688 -0.145 7.030 1.00 0.00 C ATOM 284 CG ARG A 18 95.950 1.005 6.055 1.00 0.00 C ATOM 285 CD ARG A 18 95.609 2.334 6.730 1.00 0.00 C ATOM 286 NE ARG A 18 95.387 3.378 5.690 1.00 0.00 N ATOM 287 CZ ARG A 18 94.217 3.497 5.123 1.00 0.00 C ATOM 288 NH1 ARG A 18 94.021 4.414 4.218 1.00 0.00 N ATOM 289 NH2 ARG A 18 93.243 2.696 5.462 1.00 0.00 N ATOM 0 H ARG A 18 95.528 -2.399 8.199 1.00 0.00 H new ATOM 0 HA ARG A 18 96.537 -1.489 5.578 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.636 -0.428 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.904 0.173 8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 18 96.994 1.001 5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 18 95.348 0.877 5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 18 94.716 2.223 7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 18 96.419 2.635 7.395 1.00 0.00 H new ATOM 0 HE ARG A 18 96.149 4.000 5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 18 94.782 5.039 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 18 93.107 4.506 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.396 1.978 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 18 92.329 2.789 5.019 1.00 0.00 H new ATOM 303 N VAL A 19 98.780 -0.428 6.269 1.00 0.00 N ATOM 304 CA VAL A 19 100.200 -0.151 6.633 1.00 0.00 C ATOM 305 C VAL A 19 100.308 1.211 7.329 1.00 0.00 C ATOM 306 O VAL A 19 99.919 2.227 6.786 1.00 0.00 O ATOM 307 CB VAL A 19 101.051 -0.141 5.362 1.00 0.00 C ATOM 308 CG1 VAL A 19 102.418 0.475 5.664 1.00 0.00 C ATOM 309 CG2 VAL A 19 101.238 -1.577 4.865 1.00 0.00 C ATOM 0 H VAL A 19 98.489 -0.073 5.358 1.00 0.00 H new ATOM 0 HA VAL A 19 100.555 -0.926 7.312 1.00 0.00 H new ATOM 0 HB VAL A 19 100.550 0.449 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 19 103.023 0.481 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.286 1.497 6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 19 102.921 -0.114 6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 19 101.844 -1.572 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 19 101.739 -2.166 5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 19 100.264 -2.017 4.648 1.00 0.00 H new ATOM 319 N GLU A 20 100.846 1.248 8.523 1.00 0.00 N ATOM 320 CA GLU A 20 100.983 2.554 9.231 1.00 0.00 C ATOM 321 C GLU A 20 102.065 3.372 8.532 1.00 0.00 C ATOM 322 O GLU A 20 103.218 3.348 8.916 1.00 0.00 O ATOM 323 CB GLU A 20 101.399 2.314 10.690 1.00 0.00 C ATOM 324 CG GLU A 20 100.830 3.415 11.596 1.00 0.00 C ATOM 325 CD GLU A 20 101.891 4.494 11.823 1.00 0.00 C ATOM 326 OE1 GLU A 20 101.935 5.429 11.042 1.00 0.00 O ATOM 327 OE2 GLU A 20 102.643 4.364 12.776 1.00 0.00 O ATOM 0 H GLU A 20 101.193 0.436 9.033 1.00 0.00 H new ATOM 0 HA GLU A 20 100.031 3.085 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.040 1.340 11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.486 2.297 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 20 99.943 3.854 11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 20 100.519 2.990 12.550 1.00 0.00 H new ATOM 334 N LYS A 21 101.707 4.091 7.508 1.00 0.00 N ATOM 335 CA LYS A 21 102.723 4.901 6.778 1.00 0.00 C ATOM 336 C LYS A 21 103.994 4.065 6.578 1.00 0.00 C ATOM 337 O LYS A 21 104.999 4.556 6.109 1.00 0.00 O ATOM 338 CB LYS A 21 103.058 6.153 7.594 1.00 0.00 C ATOM 339 CG LYS A 21 103.567 7.251 6.656 1.00 0.00 C ATOM 340 CD LYS A 21 103.739 8.552 7.443 1.00 0.00 C ATOM 341 CE LYS A 21 103.736 9.737 6.476 1.00 0.00 C ATOM 342 NZ LYS A 21 104.063 10.987 7.220 1.00 0.00 N ATOM 0 H LYS A 21 100.756 4.154 7.144 1.00 0.00 H new ATOM 0 HA LYS A 21 102.325 5.196 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.174 6.498 8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 21 103.814 5.920 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 21 104.517 6.954 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 21 102.864 7.399 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 21 102.933 8.659 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 21 104.673 8.529 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 21 104.464 9.573 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 21 102.760 9.829 6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 104.061 11.793 6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 103.353 11.145 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 105.004 10.897 7.654 1.00 0.00 H new ATOM 356 N PHE A 22 103.953 2.804 6.933 1.00 0.00 N ATOM 357 CA PHE A 22 105.152 1.931 6.772 1.00 0.00 C ATOM 358 C PHE A 22 105.004 0.695 7.671 1.00 0.00 C ATOM 359 O PHE A 22 105.500 -0.369 7.364 1.00 0.00 O ATOM 360 CB PHE A 22 106.419 2.702 7.180 1.00 0.00 C ATOM 361 CG PHE A 22 107.172 3.148 5.948 1.00 0.00 C ATOM 362 CD1 PHE A 22 107.467 4.504 5.761 1.00 0.00 C ATOM 363 CD2 PHE A 22 107.579 2.206 4.994 1.00 0.00 C ATOM 364 CE1 PHE A 22 108.167 4.918 4.621 1.00 0.00 C ATOM 365 CE2 PHE A 22 108.280 2.621 3.855 1.00 0.00 C ATOM 366 CZ PHE A 22 108.572 3.977 3.668 1.00 0.00 C ATOM 0 H PHE A 22 103.135 2.342 7.329 1.00 0.00 H new ATOM 0 HA PHE A 22 105.235 1.625 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.149 3.568 7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 22 107.057 2.069 7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 22 107.155 5.231 6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 22 107.352 1.160 5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 22 108.394 5.964 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 22 108.595 1.895 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 22 109.110 4.297 2.788 1.00 0.00 H new ATOM 376 N ASP A 23 104.331 0.833 8.787 1.00 0.00 N ATOM 377 CA ASP A 23 104.166 -0.331 9.707 1.00 0.00 C ATOM 378 C ASP A 23 102.833 -1.037 9.429 1.00 0.00 C ATOM 379 O ASP A 23 102.526 -1.374 8.303 1.00 0.00 O ATOM 380 CB ASP A 23 104.205 0.155 11.159 1.00 0.00 C ATOM 381 CG ASP A 23 104.781 -0.943 12.053 1.00 0.00 C ATOM 382 OD1 ASP A 23 105.533 -0.613 12.955 1.00 0.00 O ATOM 383 OD2 ASP A 23 104.459 -2.098 11.821 1.00 0.00 O ATOM 0 H ASP A 23 103.891 1.699 9.098 1.00 0.00 H new ATOM 0 HA ASP A 23 104.979 -1.037 9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.814 1.056 11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.201 0.419 11.492 1.00 0.00 H new ATOM 388 N LEU A 24 102.044 -1.278 10.447 1.00 0.00 N ATOM 389 CA LEU A 24 100.742 -1.976 10.228 1.00 0.00 C ATOM 390 C LEU A 24 99.649 -1.347 11.100 1.00 0.00 C ATOM 391 O LEU A 24 99.882 -0.961 12.228 1.00 0.00 O ATOM 392 CB LEU A 24 100.897 -3.454 10.595 1.00 0.00 C ATOM 393 CG LEU A 24 101.460 -4.223 9.396 1.00 0.00 C ATOM 394 CD1 LEU A 24 102.337 -5.376 9.889 1.00 0.00 C ATOM 395 CD2 LEU A 24 100.304 -4.784 8.562 1.00 0.00 C ATOM 0 H LEU A 24 102.244 -1.023 11.414 1.00 0.00 H new ATOM 0 HA LEU A 24 100.457 -1.880 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 24 101.562 -3.559 11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.933 -3.870 10.887 1.00 0.00 H new ATOM 0 HG LEU A 24 102.059 -3.549 8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 24 102.736 -5.921 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 24 103.161 -4.979 10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 24 101.740 -6.051 10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.703 -5.332 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.705 -5.456 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 24 99.680 -3.964 8.207 1.00 0.00 H new ATOM 407 N VAL A 25 98.452 -1.251 10.581 1.00 0.00 N ATOM 408 CA VAL A 25 97.330 -0.659 11.364 1.00 0.00 C ATOM 409 C VAL A 25 96.045 -1.439 11.061 1.00 0.00 C ATOM 410 O VAL A 25 95.514 -1.354 9.972 1.00 0.00 O ATOM 411 CB VAL A 25 97.127 0.797 10.947 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.296 1.523 12.003 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.481 1.487 10.808 1.00 0.00 C ATOM 0 H VAL A 25 98.204 -1.560 9.641 1.00 0.00 H new ATOM 0 HA VAL A 25 97.563 -0.709 12.428 1.00 0.00 H new ATOM 0 HB VAL A 25 96.605 0.825 9.990 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.153 2.561 11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 25 95.326 1.036 12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 25 96.816 1.490 12.961 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.332 2.525 10.511 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.005 1.455 11.763 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.075 0.974 10.051 1.00 0.00 H new ATOM 423 N PRO A 26 95.542 -2.188 12.008 1.00 0.00 N ATOM 424 CA PRO A 26 94.295 -2.980 11.812 1.00 0.00 C ATOM 425 C PRO A 26 93.191 -2.149 11.149 1.00 0.00 C ATOM 426 O PRO A 26 93.143 -0.943 11.289 1.00 0.00 O ATOM 427 CB PRO A 26 93.893 -3.381 13.230 1.00 0.00 C ATOM 428 CG PRO A 26 95.164 -3.392 14.013 1.00 0.00 C ATOM 429 CD PRO A 26 96.094 -2.364 13.362 1.00 0.00 C ATOM 0 HA PRO A 26 94.449 -3.834 11.152 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.178 -2.674 13.651 1.00 0.00 H new ATOM 0 HB3 PRO A 26 93.416 -4.361 13.241 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.977 -3.138 15.056 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.616 -4.384 14.002 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.100 -1.425 13.915 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.123 -2.721 13.330 1.00 0.00 H new ATOM 437 N VAL A 27 92.309 -2.781 10.423 1.00 0.00 N ATOM 438 CA VAL A 27 91.215 -2.025 9.748 1.00 0.00 C ATOM 439 C VAL A 27 89.879 -2.329 10.436 1.00 0.00 C ATOM 440 O VAL A 27 89.283 -3.364 10.208 1.00 0.00 O ATOM 441 CB VAL A 27 91.137 -2.454 8.281 1.00 0.00 C ATOM 442 CG1 VAL A 27 90.046 -1.650 7.571 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.483 -2.194 7.601 1.00 0.00 C ATOM 0 H VAL A 27 92.299 -3.789 10.268 1.00 0.00 H new ATOM 0 HA VAL A 27 91.420 -0.956 9.810 1.00 0.00 H new ATOM 0 HB VAL A 27 90.900 -3.517 8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.991 -1.956 6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.086 -1.833 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 27 90.283 -0.587 7.626 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.428 -2.499 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.719 -1.131 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.262 -2.766 8.105 1.00 0.00 H new ATOM 453 N PRO A 28 89.408 -1.435 11.270 1.00 0.00 N ATOM 454 CA PRO A 28 88.116 -1.617 11.996 1.00 0.00 C ATOM 455 C PRO A 28 86.963 -1.963 11.050 1.00 0.00 C ATOM 456 O PRO A 28 87.046 -1.761 9.854 1.00 0.00 O ATOM 457 CB PRO A 28 87.870 -0.259 12.661 1.00 0.00 C ATOM 458 CG PRO A 28 89.214 0.378 12.775 1.00 0.00 C ATOM 459 CD PRO A 28 90.053 -0.158 11.614 1.00 0.00 C ATOM 0 HA PRO A 28 88.167 -2.444 12.704 1.00 0.00 H new ATOM 0 HB2 PRO A 28 87.195 0.354 12.064 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.408 -0.380 13.641 1.00 0.00 H new ATOM 0 HG2 PRO A 28 89.133 1.464 12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.677 0.136 13.732 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.052 0.531 10.769 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.093 -0.302 11.906 1.00 0.00 H new ATOM 467 N THR A 29 85.886 -2.480 11.577 1.00 0.00 N ATOM 468 CA THR A 29 84.730 -2.838 10.709 1.00 0.00 C ATOM 469 C THR A 29 83.950 -1.570 10.355 1.00 0.00 C ATOM 470 O THR A 29 83.419 -1.439 9.270 1.00 0.00 O ATOM 471 CB THR A 29 83.815 -3.812 11.454 1.00 0.00 C ATOM 472 OG1 THR A 29 84.461 -5.070 11.573 1.00 0.00 O ATOM 473 CG2 THR A 29 82.506 -3.979 10.680 1.00 0.00 C ATOM 0 H THR A 29 85.758 -2.670 12.571 1.00 0.00 H new ATOM 0 HA THR A 29 85.091 -3.309 9.795 1.00 0.00 H new ATOM 0 HB THR A 29 83.599 -3.420 12.448 1.00 0.00 H new ATOM 0 HG1 THR A 29 83.876 -5.694 12.052 1.00 0.00 H new ATOM 0 HG21 THR A 29 81.855 -4.673 11.212 1.00 0.00 H new ATOM 0 HG22 THR A 29 82.010 -3.012 10.591 1.00 0.00 H new ATOM 0 HG23 THR A 29 82.719 -4.371 9.685 1.00 0.00 H new ATOM 481 N ASN A 30 83.878 -0.635 11.261 1.00 0.00 N ATOM 482 CA ASN A 30 83.133 0.623 10.976 1.00 0.00 C ATOM 483 C ASN A 30 83.708 1.281 9.719 1.00 0.00 C ATOM 484 O ASN A 30 83.091 2.137 9.117 1.00 0.00 O ATOM 485 CB ASN A 30 83.274 1.580 12.161 1.00 0.00 C ATOM 486 CG ASN A 30 82.606 2.914 11.824 1.00 0.00 C ATOM 487 OD1 ASN A 30 83.223 3.957 11.910 1.00 0.00 O ATOM 488 ND2 ASN A 30 81.358 2.925 11.439 1.00 0.00 N ATOM 0 H ASN A 30 84.303 -0.688 12.187 1.00 0.00 H new ATOM 0 HA ASN A 30 82.079 0.393 10.818 1.00 0.00 H new ATOM 0 HB2 ASN A 30 82.815 1.146 13.049 1.00 0.00 H new ATOM 0 HB3 ASN A 30 84.328 1.737 12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 30 80.902 3.809 11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 30 80.839 2.050 11.366 1.00 0.00 H new ATOM 495 N LEU A 31 84.888 0.888 9.319 1.00 0.00 N ATOM 496 CA LEU A 31 85.505 1.486 8.105 1.00 0.00 C ATOM 497 C LEU A 31 85.589 0.431 7.001 1.00 0.00 C ATOM 498 O LEU A 31 85.601 0.748 5.827 1.00 0.00 O ATOM 499 CB LEU A 31 86.914 1.985 8.442 1.00 0.00 C ATOM 500 CG LEU A 31 86.823 3.164 9.412 1.00 0.00 C ATOM 501 CD1 LEU A 31 88.107 3.247 10.238 1.00 0.00 C ATOM 502 CD2 LEU A 31 86.643 4.464 8.621 1.00 0.00 C ATOM 0 H LEU A 31 85.451 0.176 9.784 1.00 0.00 H new ATOM 0 HA LEU A 31 84.895 2.322 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.499 1.180 8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 31 87.430 2.289 7.532 1.00 0.00 H new ATOM 0 HG LEU A 31 85.971 3.020 10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.041 4.087 10.929 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.237 2.323 10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 31 88.959 3.390 9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 31 86.578 5.304 9.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.495 4.606 7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 85.728 4.408 8.032 1.00 0.00 H new ATOM 514 N TYR A 32 85.643 -0.820 7.365 1.00 0.00 N ATOM 515 CA TYR A 32 85.724 -1.894 6.335 1.00 0.00 C ATOM 516 C TYR A 32 84.777 -1.564 5.179 1.00 0.00 C ATOM 517 O TYR A 32 83.657 -1.139 5.384 1.00 0.00 O ATOM 518 CB TYR A 32 85.319 -3.231 6.963 1.00 0.00 C ATOM 519 CG TYR A 32 85.076 -4.249 5.875 1.00 0.00 C ATOM 520 CD1 TYR A 32 86.092 -4.553 4.960 1.00 0.00 C ATOM 521 CD2 TYR A 32 83.835 -4.888 5.780 1.00 0.00 C ATOM 522 CE1 TYR A 32 85.865 -5.499 3.952 1.00 0.00 C ATOM 523 CE2 TYR A 32 83.608 -5.833 4.772 1.00 0.00 C ATOM 524 CZ TYR A 32 84.624 -6.139 3.858 1.00 0.00 C ATOM 525 OH TYR A 32 84.400 -7.070 2.864 1.00 0.00 O ATOM 0 H TYR A 32 85.635 -1.146 8.332 1.00 0.00 H new ATOM 0 HA TYR A 32 86.745 -1.963 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.103 -3.581 7.634 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.418 -3.104 7.564 1.00 0.00 H new ATOM 0 HD1 TYR A 32 87.050 -4.059 5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 32 83.051 -4.652 6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 32 86.648 -5.735 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 32 82.650 -6.326 4.699 1.00 0.00 H new ATOM 0 HH TYR A 32 85.196 -7.632 2.757 1.00 0.00 H new ATOM 535 N GLY A 33 85.219 -1.755 3.966 1.00 0.00 N ATOM 536 CA GLY A 33 84.346 -1.450 2.796 1.00 0.00 C ATOM 537 C GLY A 33 84.800 -0.143 2.145 1.00 0.00 C ATOM 538 O GLY A 33 84.450 0.156 1.020 1.00 0.00 O ATOM 0 H GLY A 33 86.147 -2.109 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 33 84.393 -2.264 2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 33 83.307 -1.367 3.116 1.00 0.00 H new ATOM 542 N ASP A 34 85.579 0.640 2.841 1.00 0.00 N ATOM 543 CA ASP A 34 86.055 1.927 2.260 1.00 0.00 C ATOM 544 C ASP A 34 87.485 1.755 1.745 1.00 0.00 C ATOM 545 O ASP A 34 88.382 1.399 2.482 1.00 0.00 O ATOM 546 CB ASP A 34 86.027 3.014 3.337 1.00 0.00 C ATOM 547 CG ASP A 34 84.582 3.278 3.762 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.094 2.554 4.614 1.00 0.00 O ATOM 549 OD2 ASP A 34 83.986 4.198 3.226 1.00 0.00 O ATOM 0 H ASP A 34 85.906 0.444 3.787 1.00 0.00 H new ATOM 0 HA ASP A 34 85.404 2.217 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.619 2.703 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.478 3.930 2.955 1.00 0.00 H new ATOM 554 N PHE A 35 87.706 2.005 0.483 1.00 0.00 N ATOM 555 CA PHE A 35 89.077 1.856 -0.080 1.00 0.00 C ATOM 556 C PHE A 35 89.717 3.236 -0.240 1.00 0.00 C ATOM 557 O PHE A 35 89.200 4.095 -0.926 1.00 0.00 O ATOM 558 CB PHE A 35 88.997 1.171 -1.446 1.00 0.00 C ATOM 559 CG PHE A 35 88.978 -0.327 -1.262 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.040 -0.916 -0.406 1.00 0.00 C ATOM 561 CD2 PHE A 35 89.899 -1.128 -1.948 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.022 -2.305 -0.236 1.00 0.00 C ATOM 563 CE2 PHE A 35 89.881 -2.518 -1.779 1.00 0.00 C ATOM 564 CZ PHE A 35 88.942 -3.107 -0.922 1.00 0.00 C ATOM 0 H PHE A 35 86.995 2.306 -0.183 1.00 0.00 H new ATOM 0 HA PHE A 35 89.682 1.251 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.100 1.494 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 35 89.850 1.461 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 35 87.330 -0.298 0.124 1.00 0.00 H new ATOM 0 HD2 PHE A 35 90.623 -0.674 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.298 -2.759 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.591 -3.136 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 35 88.928 -4.179 -0.791 1.00 0.00 H new ATOM 574 N PHE A 36 90.839 3.457 0.389 1.00 0.00 N ATOM 575 CA PHE A 36 91.511 4.781 0.273 1.00 0.00 C ATOM 576 C PHE A 36 92.583 4.715 -0.817 1.00 0.00 C ATOM 577 O PHE A 36 93.241 3.708 -0.993 1.00 0.00 O ATOM 578 CB PHE A 36 92.162 5.142 1.609 1.00 0.00 C ATOM 579 CG PHE A 36 91.087 5.499 2.610 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.335 6.668 2.441 1.00 0.00 C ATOM 581 CD2 PHE A 36 90.844 4.662 3.705 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.340 6.998 3.369 1.00 0.00 C ATOM 583 CE2 PHE A 36 89.849 4.993 4.631 1.00 0.00 C ATOM 584 CZ PHE A 36 89.096 6.162 4.463 1.00 0.00 C ATOM 0 H PHE A 36 91.319 2.777 0.978 1.00 0.00 H new ATOM 0 HA PHE A 36 90.774 5.541 0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 36 92.753 4.303 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 36 92.846 5.981 1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.522 7.314 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 36 91.425 3.761 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 36 88.760 7.900 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 36 89.661 4.347 5.476 1.00 0.00 H new ATOM 0 HZ PHE A 36 88.328 6.417 5.178 1.00 0.00 H new ATOM 594 N THR A 37 92.766 5.780 -1.549 1.00 0.00 N ATOM 595 CA THR A 37 93.794 5.776 -2.627 1.00 0.00 C ATOM 596 C THR A 37 95.084 6.414 -2.106 1.00 0.00 C ATOM 597 O THR A 37 96.117 6.358 -2.744 1.00 0.00 O ATOM 598 CB THR A 37 93.279 6.578 -3.825 1.00 0.00 C ATOM 599 OG1 THR A 37 93.374 7.967 -3.539 1.00 0.00 O ATOM 600 CG2 THR A 37 91.820 6.210 -4.099 1.00 0.00 C ATOM 0 H THR A 37 92.248 6.653 -1.447 1.00 0.00 H new ATOM 0 HA THR A 37 93.994 4.749 -2.933 1.00 0.00 H new ATOM 0 HB THR A 37 93.880 6.346 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 37 92.764 8.464 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 37 91.455 6.782 -4.952 1.00 0.00 H new ATOM 0 HG22 THR A 37 91.749 5.145 -4.319 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.216 6.441 -3.222 1.00 0.00 H new ATOM 608 N GLY A 38 95.035 7.022 -0.951 1.00 0.00 N ATOM 609 CA GLY A 38 96.259 7.662 -0.394 1.00 0.00 C ATOM 610 C GLY A 38 96.888 6.746 0.657 1.00 0.00 C ATOM 611 O GLY A 38 97.447 7.199 1.636 1.00 0.00 O ATOM 0 H GLY A 38 94.200 7.102 -0.370 1.00 0.00 H new ATOM 0 HA2 GLY A 38 96.974 7.859 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.007 8.624 0.052 1.00 0.00 H new ATOM 615 N ASP A 39 96.800 5.459 0.463 1.00 0.00 N ATOM 616 CA ASP A 39 97.393 4.515 1.452 1.00 0.00 C ATOM 617 C ASP A 39 97.519 3.127 0.821 1.00 0.00 C ATOM 618 O ASP A 39 97.212 2.929 -0.338 1.00 0.00 O ATOM 619 CB ASP A 39 96.491 4.435 2.684 1.00 0.00 C ATOM 620 CG ASP A 39 96.811 5.593 3.629 1.00 0.00 C ATOM 621 OD1 ASP A 39 97.851 5.544 4.265 1.00 0.00 O ATOM 622 OD2 ASP A 39 96.010 6.512 3.703 1.00 0.00 O ATOM 0 H ASP A 39 96.344 5.020 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 39 98.380 4.871 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 39 95.444 4.476 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 39 96.639 3.484 3.195 1.00 0.00 H new ATOM 627 N ALA A 40 97.970 2.162 1.577 1.00 0.00 N ATOM 628 CA ALA A 40 98.115 0.787 1.024 1.00 0.00 C ATOM 629 C ALA A 40 97.687 -0.234 2.081 1.00 0.00 C ATOM 630 O ALA A 40 97.863 -0.025 3.265 1.00 0.00 O ATOM 631 CB ALA A 40 99.577 0.546 0.640 1.00 0.00 C ATOM 0 H ALA A 40 98.244 2.268 2.554 1.00 0.00 H new ATOM 0 HA ALA A 40 97.485 0.679 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.686 -0.460 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 40 99.881 1.275 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.207 0.652 1.523 1.00 0.00 H new ATOM 637 N TYR A 41 97.120 -1.335 1.667 1.00 0.00 N ATOM 638 CA TYR A 41 96.681 -2.361 2.656 1.00 0.00 C ATOM 639 C TYR A 41 96.934 -3.764 2.095 1.00 0.00 C ATOM 640 O TYR A 41 96.682 -4.035 0.938 1.00 0.00 O ATOM 641 CB TYR A 41 95.185 -2.187 2.948 1.00 0.00 C ATOM 642 CG TYR A 41 94.566 -1.272 1.918 1.00 0.00 C ATOM 643 CD1 TYR A 41 93.792 -1.807 0.881 1.00 0.00 C ATOM 644 CD2 TYR A 41 94.765 0.111 2.003 1.00 0.00 C ATOM 645 CE1 TYR A 41 93.217 -0.957 -0.071 1.00 0.00 C ATOM 646 CE2 TYR A 41 94.189 0.960 1.050 1.00 0.00 C ATOM 647 CZ TYR A 41 93.415 0.426 0.013 1.00 0.00 C ATOM 648 OH TYR A 41 92.848 1.262 -0.926 1.00 0.00 O ATOM 0 H TYR A 41 96.942 -1.568 0.690 1.00 0.00 H new ATOM 0 HA TYR A 41 97.248 -2.235 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.687 -3.156 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 41 95.046 -1.773 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 41 93.639 -2.874 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 41 95.362 0.523 2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 41 92.620 -1.369 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 41 94.342 2.027 1.115 1.00 0.00 H new ATOM 0 HH TYR A 41 93.497 1.949 -1.187 1.00 0.00 H new ATOM 658 N VAL A 42 97.423 -4.657 2.912 1.00 0.00 N ATOM 659 CA VAL A 42 97.685 -6.041 2.439 1.00 0.00 C ATOM 660 C VAL A 42 96.552 -6.943 2.915 1.00 0.00 C ATOM 661 O VAL A 42 96.021 -6.764 3.994 1.00 0.00 O ATOM 662 CB VAL A 42 98.993 -6.539 3.039 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.814 -7.259 1.966 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.795 -5.354 3.583 1.00 0.00 C ATOM 0 H VAL A 42 97.652 -4.484 3.891 1.00 0.00 H new ATOM 0 HA VAL A 42 97.749 -6.054 1.351 1.00 0.00 H new ATOM 0 HB VAL A 42 98.772 -7.232 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.749 -7.613 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 42 99.247 -8.107 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 42 100.031 -6.569 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.730 -5.714 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 42 100.011 -4.658 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 42 99.215 -4.845 4.353 1.00 0.00 H new ATOM 674 N ILE A 43 96.169 -7.907 2.123 1.00 0.00 N ATOM 675 CA ILE A 43 95.061 -8.805 2.546 1.00 0.00 C ATOM 676 C ILE A 43 95.483 -10.271 2.425 1.00 0.00 C ATOM 677 O ILE A 43 96.057 -10.690 1.439 1.00 0.00 O ATOM 678 CB ILE A 43 93.840 -8.544 1.667 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.938 -7.147 1.041 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.590 -8.619 2.534 1.00 0.00 C ATOM 681 CD1 ILE A 43 94.007 -6.083 2.143 1.00 0.00 C ATOM 0 H ILE A 43 96.573 -8.110 1.208 1.00 0.00 H new ATOM 0 HA ILE A 43 94.816 -8.601 3.588 1.00 0.00 H new ATOM 0 HB ILE A 43 93.794 -9.289 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.823 -7.084 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 43 93.075 -6.965 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.709 -8.434 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.518 -9.609 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.647 -7.867 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 43 94.076 -5.094 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 43 93.109 -6.138 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.885 -6.260 2.765 1.00 0.00 H new ATOM 693 N LEU A 44 95.197 -11.050 3.434 1.00 0.00 N ATOM 694 CA LEU A 44 95.569 -12.493 3.406 1.00 0.00 C ATOM 695 C LEU A 44 94.304 -13.341 3.268 1.00 0.00 C ATOM 696 O LEU A 44 93.452 -13.346 4.134 1.00 0.00 O ATOM 697 CB LEU A 44 96.283 -12.854 4.712 1.00 0.00 C ATOM 698 CG LEU A 44 97.014 -14.190 4.554 1.00 0.00 C ATOM 699 CD1 LEU A 44 97.840 -14.470 5.810 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.993 -15.313 4.358 1.00 0.00 C ATOM 0 H LEU A 44 94.718 -10.746 4.282 1.00 0.00 H new ATOM 0 HA LEU A 44 96.230 -12.686 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 44 96.993 -12.070 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.561 -12.919 5.526 1.00 0.00 H new ATOM 0 HG LEU A 44 97.672 -14.142 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.361 -15.421 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.569 -13.672 5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 44 97.180 -14.517 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 44 96.515 -16.263 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.334 -15.361 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 44 95.402 -15.115 3.464 1.00 0.00 H new ATOM 712 N LYS A 45 94.173 -14.058 2.187 1.00 0.00 N ATOM 713 CA LYS A 45 92.959 -14.906 2.000 1.00 0.00 C ATOM 714 C LYS A 45 93.235 -16.315 2.531 1.00 0.00 C ATOM 715 O LYS A 45 94.305 -16.860 2.345 1.00 0.00 O ATOM 716 CB LYS A 45 92.610 -14.977 0.508 1.00 0.00 C ATOM 717 CG LYS A 45 91.097 -14.824 0.325 1.00 0.00 C ATOM 718 CD LYS A 45 90.756 -14.856 -1.167 1.00 0.00 C ATOM 719 CE LYS A 45 90.561 -16.305 -1.619 1.00 0.00 C ATOM 720 NZ LYS A 45 90.067 -16.325 -3.025 1.00 0.00 N ATOM 0 H LYS A 45 94.851 -14.095 1.426 1.00 0.00 H new ATOM 0 HA LYS A 45 92.122 -14.471 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 45 93.133 -14.191 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.942 -15.928 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 45 90.574 -15.627 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.760 -13.886 0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.850 -14.281 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 45 91.555 -14.389 -1.743 1.00 0.00 H new ATOM 0 HE2 LYS A 45 91.502 -16.850 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 45 89.849 -16.808 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 89.934 -17.310 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 89.160 -15.820 -3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 90.762 -15.860 -3.644 1.00 0.00 H new ATOM 734 N THR A 46 92.281 -16.910 3.195 1.00 0.00 N ATOM 735 CA THR A 46 92.496 -18.284 3.736 1.00 0.00 C ATOM 736 C THR A 46 91.198 -19.086 3.618 1.00 0.00 C ATOM 737 O THR A 46 90.187 -18.734 4.194 1.00 0.00 O ATOM 738 CB THR A 46 92.908 -18.191 5.210 1.00 0.00 C ATOM 739 OG1 THR A 46 93.619 -16.980 5.423 1.00 0.00 O ATOM 740 CG2 THR A 46 93.802 -19.379 5.572 1.00 0.00 C ATOM 0 H THR A 46 91.364 -16.506 3.386 1.00 0.00 H new ATOM 0 HA THR A 46 93.283 -18.781 3.169 1.00 0.00 H new ATOM 0 HB THR A 46 92.017 -18.208 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 46 93.883 -16.917 6.365 1.00 0.00 H new ATOM 0 HG21 THR A 46 94.093 -19.309 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 46 93.256 -20.308 5.408 1.00 0.00 H new ATOM 0 HG23 THR A 46 94.694 -19.367 4.946 1.00 0.00 H new ATOM 748 N VAL A 47 91.213 -20.164 2.876 1.00 0.00 N ATOM 749 CA VAL A 47 89.982 -20.982 2.723 1.00 0.00 C ATOM 750 C VAL A 47 90.304 -22.438 3.041 1.00 0.00 C ATOM 751 O VAL A 47 91.447 -22.821 3.136 1.00 0.00 O ATOM 752 CB VAL A 47 89.494 -20.895 1.283 1.00 0.00 C ATOM 753 CG1 VAL A 47 87.964 -20.961 1.249 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.963 -19.578 0.659 1.00 0.00 C ATOM 0 H VAL A 47 92.028 -20.510 2.370 1.00 0.00 H new ATOM 0 HA VAL A 47 89.213 -20.611 3.401 1.00 0.00 H new ATOM 0 HB VAL A 47 89.903 -21.731 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.620 -20.898 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.631 -21.902 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.551 -20.129 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.612 -19.518 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.559 -18.741 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 47 91.052 -19.535 0.675 1.00 0.00 H new ATOM 764 N GLN A 48 89.299 -23.250 3.191 1.00 0.00 N ATOM 765 CA GLN A 48 89.532 -24.690 3.494 1.00 0.00 C ATOM 766 C GLN A 48 89.504 -25.495 2.193 1.00 0.00 C ATOM 767 O GLN A 48 88.516 -25.512 1.484 1.00 0.00 O ATOM 768 CB GLN A 48 88.432 -25.200 4.433 1.00 0.00 C ATOM 769 CG GLN A 48 88.896 -25.074 5.885 1.00 0.00 C ATOM 770 CD GLN A 48 87.850 -25.703 6.808 1.00 0.00 C ATOM 771 OE1 GLN A 48 86.722 -25.919 6.413 1.00 0.00 O ATOM 772 NE2 GLN A 48 88.180 -26.010 8.034 1.00 0.00 N ATOM 0 H GLN A 48 88.319 -22.978 3.117 1.00 0.00 H new ATOM 0 HA GLN A 48 90.503 -24.807 3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 48 87.517 -24.627 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 48 88.198 -26.240 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 48 89.858 -25.570 6.016 1.00 0.00 H new ATOM 0 HG3 GLN A 48 89.041 -24.025 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 48 89.127 -25.829 8.368 1.00 0.00 H new ATOM 0 HE22 GLN A 48 87.491 -26.430 8.658 1.00 0.00 H new ATOM 781 N LEU A 49 90.576 -26.165 1.873 1.00 0.00 N ATOM 782 CA LEU A 49 90.606 -26.969 0.618 1.00 0.00 C ATOM 783 C LEU A 49 89.781 -28.242 0.808 1.00 0.00 C ATOM 784 O LEU A 49 89.393 -28.582 1.909 1.00 0.00 O ATOM 785 CB LEU A 49 92.051 -27.347 0.285 1.00 0.00 C ATOM 786 CG LEU A 49 92.822 -26.100 -0.150 1.00 0.00 C ATOM 787 CD1 LEU A 49 94.292 -26.461 -0.379 1.00 0.00 C ATOM 788 CD2 LEU A 49 92.219 -25.553 -1.449 1.00 0.00 C ATOM 0 H LEU A 49 91.433 -26.191 2.426 1.00 0.00 H new ATOM 0 HA LEU A 49 90.187 -26.380 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.529 -27.797 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 49 92.068 -28.093 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 49 92.753 -25.341 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.841 -25.572 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.720 -26.848 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.363 -27.221 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.768 -24.664 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 49 92.286 -26.312 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 49 91.173 -25.294 -1.284 1.00 0.00 H new ATOM 800 N ARG A 50 89.513 -28.952 -0.254 1.00 0.00 N ATOM 801 CA ARG A 50 88.717 -30.204 -0.129 1.00 0.00 C ATOM 802 C ARG A 50 89.208 -30.992 1.085 1.00 0.00 C ATOM 803 O ARG A 50 88.430 -31.425 1.914 1.00 0.00 O ATOM 804 CB ARG A 50 88.893 -31.050 -1.393 1.00 0.00 C ATOM 805 CG ARG A 50 87.679 -31.963 -1.572 1.00 0.00 C ATOM 806 CD ARG A 50 88.070 -33.171 -2.425 1.00 0.00 C ATOM 807 NE ARG A 50 86.846 -33.778 -3.020 1.00 0.00 N ATOM 808 CZ ARG A 50 85.975 -34.376 -2.253 1.00 0.00 C ATOM 809 NH1 ARG A 50 84.907 -34.914 -2.775 1.00 0.00 N ATOM 810 NH2 ARG A 50 86.174 -34.439 -0.965 1.00 0.00 N ATOM 0 H ARG A 50 89.811 -28.719 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 50 87.663 -29.957 -0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 50 89.006 -30.403 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 50 89.802 -31.647 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 50 87.313 -32.294 -0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 50 86.866 -31.415 -2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 50 88.757 -32.865 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 50 88.593 -33.907 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 50 86.689 -33.726 -4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 50 84.753 -34.867 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 50 84.226 -35.381 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 50 87.010 -34.021 -0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 50 85.493 -34.906 -0.366 1.00 0.00 H new ATOM 824 N ASN A 51 90.494 -31.178 1.200 1.00 0.00 N ATOM 825 CA ASN A 51 91.038 -31.932 2.364 1.00 0.00 C ATOM 826 C ASN A 51 91.133 -30.994 3.569 1.00 0.00 C ATOM 827 O ASN A 51 91.342 -31.424 4.687 1.00 0.00 O ATOM 828 CB ASN A 51 92.429 -32.467 2.020 1.00 0.00 C ATOM 829 CG ASN A 51 92.840 -33.518 3.053 1.00 0.00 C ATOM 830 OD1 ASN A 51 93.444 -34.605 2.654 1.00 0.00 O flip ATOM 831 ND2 ASN A 51 92.611 -33.350 4.234 1.00 0.00 N flip ATOM 0 H ASN A 51 91.192 -30.840 0.538 1.00 0.00 H new ATOM 0 HA ASN A 51 90.380 -32.768 2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 51 92.426 -32.904 1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.152 -31.651 2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.139 -32.501 4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.890 -34.058 4.913 1.00 0.00 H new ATOM 838 N GLY A 52 90.982 -29.716 3.351 1.00 0.00 N ATOM 839 CA GLY A 52 91.063 -28.752 4.482 1.00 0.00 C ATOM 840 C GLY A 52 92.515 -28.311 4.679 1.00 0.00 C ATOM 841 O GLY A 52 92.943 -28.030 5.780 1.00 0.00 O ATOM 0 H GLY A 52 90.806 -29.299 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 52 90.434 -27.885 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 52 90.686 -29.214 5.394 1.00 0.00 H new ATOM 845 N ASN A 53 93.279 -28.248 3.621 1.00 0.00 N ATOM 846 CA ASN A 53 94.700 -27.823 3.761 1.00 0.00 C ATOM 847 C ASN A 53 94.759 -26.306 3.891 1.00 0.00 C ATOM 848 O ASN A 53 95.801 -25.693 3.772 1.00 0.00 O ATOM 849 CB ASN A 53 95.497 -28.272 2.532 1.00 0.00 C ATOM 850 CG ASN A 53 96.129 -29.639 2.801 1.00 0.00 C ATOM 851 OD1 ASN A 53 95.565 -30.660 2.460 1.00 0.00 O ATOM 852 ND2 ASN A 53 97.287 -29.702 3.400 1.00 0.00 N ATOM 0 H ASN A 53 92.982 -28.471 2.671 1.00 0.00 H new ATOM 0 HA ASN A 53 95.133 -28.281 4.650 1.00 0.00 H new ATOM 0 HB2 ASN A 53 94.843 -28.328 1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 53 96.272 -27.541 2.302 1.00 0.00 H new ATOM 0 HD21 ASN A 53 97.718 -30.608 3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 53 97.760 -28.845 3.686 1.00 0.00 H new ATOM 859 N LEU A 54 93.638 -25.706 4.139 1.00 0.00 N ATOM 860 CA LEU A 54 93.585 -24.232 4.290 1.00 0.00 C ATOM 861 C LEU A 54 94.423 -23.576 3.197 1.00 0.00 C ATOM 862 O LEU A 54 95.625 -23.449 3.311 1.00 0.00 O ATOM 863 CB LEU A 54 94.115 -23.834 5.669 1.00 0.00 C ATOM 864 CG LEU A 54 92.953 -23.787 6.667 1.00 0.00 C ATOM 865 CD1 LEU A 54 93.490 -23.443 8.057 1.00 0.00 C ATOM 866 CD2 LEU A 54 91.937 -22.721 6.233 1.00 0.00 C ATOM 0 H LEU A 54 92.741 -26.180 4.245 1.00 0.00 H new ATOM 0 HA LEU A 54 92.552 -23.895 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 54 94.866 -24.550 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 54 94.603 -22.861 5.616 1.00 0.00 H new ATOM 0 HG LEU A 54 92.463 -24.760 6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.664 -23.409 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.206 -24.203 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.983 -22.471 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 54 91.113 -22.692 6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 54 92.424 -21.746 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 54 91.552 -22.967 5.243 1.00 0.00 H new ATOM 878 N GLN A 55 93.794 -23.159 2.134 1.00 0.00 N ATOM 879 CA GLN A 55 94.552 -22.512 1.026 1.00 0.00 C ATOM 880 C GLN A 55 94.884 -21.070 1.410 1.00 0.00 C ATOM 881 O GLN A 55 94.006 -20.258 1.622 1.00 0.00 O ATOM 882 CB GLN A 55 93.707 -22.517 -0.249 1.00 0.00 C ATOM 883 CG GLN A 55 94.534 -21.970 -1.413 1.00 0.00 C ATOM 884 CD GLN A 55 95.700 -22.919 -1.701 1.00 0.00 C ATOM 885 OE1 GLN A 55 95.559 -23.858 -2.459 1.00 0.00 O ATOM 886 NE2 GLN A 55 96.853 -22.713 -1.125 1.00 0.00 N ATOM 0 H GLN A 55 92.788 -23.238 1.984 1.00 0.00 H new ATOM 0 HA GLN A 55 95.475 -23.065 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.372 -23.530 -0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.813 -21.910 -0.108 1.00 0.00 H new ATOM 0 HG2 GLN A 55 93.909 -21.865 -2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.911 -20.977 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 55 96.972 -21.925 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 55 97.635 -23.340 -1.311 1.00 0.00 H new ATOM 895 N TYR A 56 96.145 -20.741 1.502 1.00 0.00 N ATOM 896 CA TYR A 56 96.522 -19.350 1.871 1.00 0.00 C ATOM 897 C TYR A 56 96.807 -18.543 0.604 1.00 0.00 C ATOM 898 O TYR A 56 97.758 -18.799 -0.107 1.00 0.00 O ATOM 899 CB TYR A 56 97.779 -19.375 2.745 1.00 0.00 C ATOM 900 CG TYR A 56 97.465 -20.028 4.070 1.00 0.00 C ATOM 901 CD1 TYR A 56 97.278 -21.414 4.141 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.361 -19.249 5.227 1.00 0.00 C ATOM 903 CE1 TYR A 56 96.988 -22.019 5.369 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.069 -19.853 6.455 1.00 0.00 C ATOM 905 CZ TYR A 56 96.883 -21.239 6.526 1.00 0.00 C ATOM 906 OH TYR A 56 96.595 -21.835 7.737 1.00 0.00 O ATOM 0 H TYR A 56 96.927 -21.375 1.338 1.00 0.00 H new ATOM 0 HA TYR A 56 95.702 -18.889 2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.575 -19.922 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 56 98.142 -18.360 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 56 97.358 -22.016 3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 56 97.506 -18.180 5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 56 96.845 -23.088 5.424 1.00 0.00 H new ATOM 0 HE2 TYR A 56 96.987 -19.250 7.348 1.00 0.00 H new ATOM 0 HH TYR A 56 96.559 -21.151 8.438 1.00 0.00 H new ATOM 916 N ASP A 57 95.997 -17.558 0.328 1.00 0.00 N ATOM 917 CA ASP A 57 96.222 -16.716 -0.880 1.00 0.00 C ATOM 918 C ASP A 57 96.588 -15.307 -0.419 1.00 0.00 C ATOM 919 O ASP A 57 96.174 -14.870 0.635 1.00 0.00 O ATOM 920 CB ASP A 57 94.947 -16.674 -1.731 1.00 0.00 C ATOM 921 CG ASP A 57 94.050 -17.859 -1.368 1.00 0.00 C ATOM 922 OD1 ASP A 57 93.764 -18.025 -0.193 1.00 0.00 O ATOM 923 OD2 ASP A 57 93.665 -18.583 -2.271 1.00 0.00 O ATOM 0 H ASP A 57 95.186 -17.299 0.890 1.00 0.00 H new ATOM 0 HA ASP A 57 97.027 -17.133 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 57 94.416 -15.737 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 57 95.203 -16.709 -2.790 1.00 0.00 H new ATOM 928 N LEU A 58 97.369 -14.594 -1.184 1.00 0.00 N ATOM 929 CA LEU A 58 97.761 -13.220 -0.761 1.00 0.00 C ATOM 930 C LEU A 58 97.228 -12.191 -1.760 1.00 0.00 C ATOM 931 O LEU A 58 97.312 -12.369 -2.958 1.00 0.00 O ATOM 932 CB LEU A 58 99.291 -13.123 -0.710 1.00 0.00 C ATOM 933 CG LEU A 58 99.798 -13.521 0.680 1.00 0.00 C ATOM 934 CD1 LEU A 58 99.411 -12.445 1.701 1.00 0.00 C ATOM 935 CD2 LEU A 58 99.177 -14.860 1.088 1.00 0.00 C ATOM 0 H LEU A 58 97.751 -14.901 -2.079 1.00 0.00 H new ATOM 0 HA LEU A 58 97.340 -13.017 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.730 -13.774 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.607 -12.106 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 58 100.883 -13.617 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.774 -12.733 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.858 -11.493 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.326 -12.343 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.538 -15.142 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 58 98.091 -14.765 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 58 99.459 -15.627 0.366 1.00 0.00 H new ATOM 947 N HIS A 59 96.690 -11.108 -1.271 1.00 0.00 N ATOM 948 CA HIS A 59 96.165 -10.052 -2.179 1.00 0.00 C ATOM 949 C HIS A 59 96.623 -8.689 -1.660 1.00 0.00 C ATOM 950 O HIS A 59 96.408 -8.351 -0.515 1.00 0.00 O ATOM 951 CB HIS A 59 94.636 -10.109 -2.205 1.00 0.00 C ATOM 952 CG HIS A 59 94.194 -11.449 -2.724 1.00 0.00 C ATOM 953 ND1 HIS A 59 94.336 -12.719 -2.223 1.00 0.00 N flip ATOM 954 CD2 HIS A 59 93.506 -11.587 -3.922 1.00 0.00 C flip ATOM 955 CE1 HIS A 59 93.747 -13.629 -3.094 1.00 0.00 C flip ATOM 956 NE2 HIS A 59 93.262 -12.899 -4.099 1.00 0.00 N flip ATOM 0 H HIS A 59 96.591 -10.909 -0.275 1.00 0.00 H new ATOM 0 HA HIS A 59 96.541 -10.209 -3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.238 -9.946 -1.203 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.242 -9.314 -2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 59 93.219 -10.788 -4.590 1.00 0.00 H new ATOM 0 HE1 HIS A 59 93.694 -14.702 -2.980 1.00 0.00 H new ATOM 0 HE2 HIS A 59 92.767 -13.287 -4.902 1.00 0.00 H new ATOM 964 N TYR A 60 97.267 -7.910 -2.487 1.00 0.00 N ATOM 965 CA TYR A 60 97.751 -6.576 -2.028 1.00 0.00 C ATOM 966 C TYR A 60 97.066 -5.470 -2.834 1.00 0.00 C ATOM 967 O TYR A 60 96.952 -5.548 -4.041 1.00 0.00 O ATOM 968 CB TYR A 60 99.266 -6.494 -2.229 1.00 0.00 C ATOM 969 CG TYR A 60 99.726 -5.061 -2.095 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.327 -4.294 -0.994 1.00 0.00 C ATOM 971 CD2 TYR A 60 100.552 -4.501 -3.077 1.00 0.00 C ATOM 972 CE1 TYR A 60 99.755 -2.967 -0.875 1.00 0.00 C ATOM 973 CE2 TYR A 60 100.981 -3.174 -2.957 1.00 0.00 C ATOM 974 CZ TYR A 60 100.583 -2.407 -1.856 1.00 0.00 C ATOM 975 OH TYR A 60 101.004 -1.098 -1.738 1.00 0.00 O ATOM 0 H TYR A 60 97.478 -8.139 -3.458 1.00 0.00 H new ATOM 0 HA TYR A 60 97.513 -6.447 -0.972 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.773 -7.118 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.532 -6.880 -3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 60 98.689 -4.726 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 60 100.858 -5.093 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 60 99.447 -2.374 -0.026 1.00 0.00 H new ATOM 0 HE2 TYR A 60 101.619 -2.742 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 60 100.229 -0.500 -1.784 1.00 0.00 H new ATOM 985 N TRP A 61 96.611 -4.439 -2.172 1.00 0.00 N ATOM 986 CA TRP A 61 95.934 -3.323 -2.894 1.00 0.00 C ATOM 987 C TRP A 61 96.703 -2.022 -2.649 1.00 0.00 C ATOM 988 O TRP A 61 96.923 -1.622 -1.522 1.00 0.00 O ATOM 989 CB TRP A 61 94.503 -3.173 -2.377 1.00 0.00 C ATOM 990 CG TRP A 61 93.730 -2.290 -3.302 1.00 0.00 C ATOM 991 CD1 TRP A 61 92.849 -2.723 -4.232 1.00 0.00 C ATOM 992 CD2 TRP A 61 93.751 -0.837 -3.402 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.329 -1.627 -4.899 1.00 0.00 N ATOM 994 CE2 TRP A 61 92.853 -0.442 -4.423 1.00 0.00 C ATOM 995 CE3 TRP A 61 94.456 0.168 -2.714 1.00 0.00 C ATOM 996 CZ2 TRP A 61 92.662 0.901 -4.749 1.00 0.00 C ATOM 997 CZ3 TRP A 61 94.264 1.520 -3.040 1.00 0.00 C ATOM 998 CH2 TRP A 61 93.370 1.886 -4.056 1.00 0.00 C ATOM 0 H TRP A 61 96.679 -4.322 -1.161 1.00 0.00 H new ATOM 0 HA TRP A 61 95.912 -3.540 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.026 -4.151 -2.307 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.510 -2.749 -1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 61 92.593 -3.755 -4.423 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.642 -1.688 -5.651 1.00 0.00 H new ATOM 0 HE3 TRP A 61 95.149 -0.102 -1.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 91.971 1.177 -5.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 94.809 2.283 -2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 61 93.229 2.928 -4.303 1.00 0.00 H new ATOM 1009 N LEU A 62 97.116 -1.361 -3.698 1.00 0.00 N ATOM 1010 CA LEU A 62 97.874 -0.087 -3.533 1.00 0.00 C ATOM 1011 C LEU A 62 97.032 1.080 -4.053 1.00 0.00 C ATOM 1012 O LEU A 62 96.082 0.894 -4.787 1.00 0.00 O ATOM 1013 CB LEU A 62 99.183 -0.164 -4.323 1.00 0.00 C ATOM 1014 CG LEU A 62 98.960 -0.952 -5.618 1.00 0.00 C ATOM 1015 CD1 LEU A 62 99.941 -0.467 -6.685 1.00 0.00 C ATOM 1016 CD2 LEU A 62 99.188 -2.443 -5.355 1.00 0.00 C ATOM 0 H LEU A 62 96.960 -1.650 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 62 98.096 0.068 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 62 99.539 0.840 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.954 -0.645 -3.721 1.00 0.00 H new ATOM 0 HG LEU A 62 97.939 -0.797 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 62 99.783 -1.027 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.778 0.594 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 62 100.962 -0.622 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 62 99.029 -3.003 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 62 100.209 -2.599 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 62 98.488 -2.789 -4.594 1.00 0.00 H new ATOM 1028 N GLY A 63 97.371 2.283 -3.675 1.00 0.00 N ATOM 1029 CA GLY A 63 96.587 3.461 -4.144 1.00 0.00 C ATOM 1030 C GLY A 63 97.315 4.139 -5.308 1.00 0.00 C ATOM 1031 O GLY A 63 98.515 4.019 -5.458 1.00 0.00 O ATOM 0 H GLY A 63 98.157 2.501 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.593 3.145 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 63 96.452 4.169 -3.326 1.00 0.00 H new ATOM 1035 N ASN A 64 96.595 4.851 -6.131 1.00 0.00 N ATOM 1036 CA ASN A 64 97.236 5.540 -7.286 1.00 0.00 C ATOM 1037 C ASN A 64 97.935 6.812 -6.798 1.00 0.00 C ATOM 1038 O ASN A 64 98.702 7.423 -7.514 1.00 0.00 O ATOM 1039 CB ASN A 64 96.168 5.909 -8.318 1.00 0.00 C ATOM 1040 CG ASN A 64 95.175 6.893 -7.701 1.00 0.00 C ATOM 1041 OD1 ASN A 64 94.295 6.501 -6.960 1.00 0.00 O ATOM 1042 ND2 ASN A 64 95.276 8.165 -7.977 1.00 0.00 N ATOM 0 H ASN A 64 95.587 4.985 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 64 97.969 4.875 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 64 96.636 6.352 -9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.646 5.012 -8.652 1.00 0.00 H new ATOM 0 HD21 ASN A 64 94.617 8.829 -7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 64 96.014 8.495 -8.599 1.00 0.00 H new ATOM 1049 N GLU A 65 97.677 7.210 -5.582 1.00 0.00 N ATOM 1050 CA GLU A 65 98.327 8.434 -5.042 1.00 0.00 C ATOM 1051 C GLU A 65 99.461 8.008 -4.118 1.00 0.00 C ATOM 1052 O GLU A 65 99.775 8.664 -3.146 1.00 0.00 O ATOM 1053 CB GLU A 65 97.300 9.258 -4.258 1.00 0.00 C ATOM 1054 CG GLU A 65 95.894 8.903 -4.739 1.00 0.00 C ATOM 1055 CD GLU A 65 94.934 10.045 -4.402 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.170 10.717 -3.411 1.00 0.00 O ATOM 1057 OE2 GLU A 65 93.980 10.230 -5.141 1.00 0.00 O ATOM 0 H GLU A 65 97.042 6.738 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 65 98.718 9.043 -5.857 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.393 9.056 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.487 10.323 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 65 95.901 8.725 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.559 7.980 -4.265 1.00 0.00 H new ATOM 1064 N CYS A 66 100.077 6.905 -4.429 1.00 0.00 N ATOM 1065 CA CYS A 66 101.189 6.404 -3.604 1.00 0.00 C ATOM 1066 C CYS A 66 102.353 6.069 -4.522 1.00 0.00 C ATOM 1067 O CYS A 66 102.419 5.016 -5.126 1.00 0.00 O ATOM 1068 CB CYS A 66 100.742 5.153 -2.869 1.00 0.00 C ATOM 1069 SG CYS A 66 100.320 5.571 -1.158 1.00 0.00 S ATOM 0 H CYS A 66 99.847 6.325 -5.236 1.00 0.00 H new ATOM 0 HA CYS A 66 101.492 7.157 -2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 66 99.879 4.714 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.535 4.406 -2.886 1.00 0.00 H new ATOM 0 HG CYS A 66 99.935 4.499 -0.532 1.00 0.00 H new ATOM 1075 N SER A 67 103.258 6.971 -4.624 1.00 0.00 N ATOM 1076 CA SER A 67 104.449 6.768 -5.498 1.00 0.00 C ATOM 1077 C SER A 67 104.970 5.340 -5.339 1.00 0.00 C ATOM 1078 O SER A 67 104.578 4.618 -4.443 1.00 0.00 O ATOM 1079 CB SER A 67 105.545 7.758 -5.101 1.00 0.00 C ATOM 1080 OG SER A 67 106.598 7.700 -6.055 1.00 0.00 O ATOM 0 H SER A 67 103.236 7.865 -4.134 1.00 0.00 H new ATOM 0 HA SER A 67 104.166 6.933 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.138 8.768 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 105.925 7.519 -4.108 1.00 0.00 H new ATOM 0 HG SER A 67 107.302 8.335 -5.805 1.00 0.00 H new ATOM 1086 N GLN A 68 105.854 4.925 -6.206 1.00 0.00 N ATOM 1087 CA GLN A 68 106.406 3.545 -6.113 1.00 0.00 C ATOM 1088 C GLN A 68 107.031 3.334 -4.731 1.00 0.00 C ATOM 1089 O GLN A 68 107.257 2.219 -4.306 1.00 0.00 O ATOM 1090 CB GLN A 68 107.472 3.348 -7.192 1.00 0.00 C ATOM 1091 CG GLN A 68 108.120 1.972 -7.027 1.00 0.00 C ATOM 1092 CD GLN A 68 108.712 1.523 -8.364 1.00 0.00 C ATOM 1093 OE1 GLN A 68 109.573 2.181 -8.914 1.00 0.00 O ATOM 1094 NE2 GLN A 68 108.282 0.422 -8.916 1.00 0.00 N ATOM 0 H GLN A 68 106.218 5.485 -6.977 1.00 0.00 H new ATOM 0 HA GLN A 68 105.603 2.823 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.023 3.433 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.229 4.129 -7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 68 108.901 2.015 -6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 68 107.380 1.249 -6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 68 107.559 -0.131 -8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 68 108.668 0.114 -9.808 1.00 0.00 H new ATOM 1103 N ASP A 69 107.314 4.396 -4.028 1.00 0.00 N ATOM 1104 CA ASP A 69 107.925 4.251 -2.676 1.00 0.00 C ATOM 1105 C ASP A 69 106.957 3.507 -1.760 1.00 0.00 C ATOM 1106 O ASP A 69 107.270 2.463 -1.221 1.00 0.00 O ATOM 1107 CB ASP A 69 108.216 5.636 -2.095 1.00 0.00 C ATOM 1108 CG ASP A 69 109.378 6.275 -2.858 1.00 0.00 C ATOM 1109 OD1 ASP A 69 109.163 7.305 -3.472 1.00 0.00 O ATOM 1110 OD2 ASP A 69 110.465 5.720 -2.814 1.00 0.00 O ATOM 0 H ASP A 69 107.149 5.356 -4.330 1.00 0.00 H new ATOM 0 HA ASP A 69 108.856 3.689 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 69 107.329 6.266 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 69 108.463 5.554 -1.037 1.00 0.00 H new ATOM 1115 N GLU A 70 105.782 4.035 -1.580 1.00 0.00 N ATOM 1116 CA GLU A 70 104.786 3.360 -0.701 1.00 0.00 C ATOM 1117 C GLU A 70 104.432 2.000 -1.300 1.00 0.00 C ATOM 1118 O GLU A 70 104.439 0.988 -0.626 1.00 0.00 O ATOM 1119 CB GLU A 70 103.522 4.222 -0.586 1.00 0.00 C ATOM 1120 CG GLU A 70 103.750 5.570 -1.276 1.00 0.00 C ATOM 1121 CD GLU A 70 104.935 6.285 -0.624 1.00 0.00 C ATOM 1122 OE1 GLU A 70 105.370 5.835 0.424 1.00 0.00 O ATOM 1123 OE2 GLU A 70 105.389 7.271 -1.183 1.00 0.00 O ATOM 0 H GLU A 70 105.465 4.907 -2.004 1.00 0.00 H new ATOM 0 HA GLU A 70 105.211 3.223 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 70 102.677 3.707 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 70 103.271 4.378 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 70 103.943 5.419 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 70 102.854 6.186 -1.200 1.00 0.00 H new ATOM 1130 N SER A 71 104.128 1.968 -2.565 1.00 0.00 N ATOM 1131 CA SER A 71 103.778 0.677 -3.219 1.00 0.00 C ATOM 1132 C SER A 71 105.029 -0.202 -3.291 1.00 0.00 C ATOM 1133 O SER A 71 104.947 -1.408 -3.410 1.00 0.00 O ATOM 1134 CB SER A 71 103.259 0.942 -4.632 1.00 0.00 C ATOM 1135 OG SER A 71 103.620 -0.142 -5.476 1.00 0.00 O ATOM 0 H SER A 71 104.106 2.783 -3.178 1.00 0.00 H new ATOM 0 HA SER A 71 103.004 0.171 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 71 102.176 1.061 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 71 103.677 1.872 -5.017 1.00 0.00 H new ATOM 0 HG SER A 71 103.287 0.024 -6.383 1.00 0.00 H new ATOM 1141 N GLY A 72 106.187 0.398 -3.217 1.00 0.00 N ATOM 1142 CA GLY A 72 107.444 -0.400 -3.278 1.00 0.00 C ATOM 1143 C GLY A 72 107.661 -1.107 -1.940 1.00 0.00 C ATOM 1144 O GLY A 72 108.066 -2.254 -1.892 1.00 0.00 O ATOM 0 H GLY A 72 106.316 1.405 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.384 -1.132 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.290 0.250 -3.500 1.00 0.00 H new ATOM 1148 N ALA A 73 107.393 -0.439 -0.852 1.00 0.00 N ATOM 1149 CA ALA A 73 107.583 -1.078 0.479 1.00 0.00 C ATOM 1150 C ALA A 73 106.528 -2.170 0.667 1.00 0.00 C ATOM 1151 O ALA A 73 106.800 -3.227 1.199 1.00 0.00 O ATOM 1152 CB ALA A 73 107.432 -0.025 1.579 1.00 0.00 C ATOM 0 H ALA A 73 107.051 0.522 -0.828 1.00 0.00 H new ATOM 0 HA ALA A 73 108.579 -1.517 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.571 -0.494 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 73 108.181 0.755 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.436 0.415 1.527 1.00 0.00 H new ATOM 1158 N ALA A 74 105.327 -1.918 0.228 1.00 0.00 N ATOM 1159 CA ALA A 74 104.251 -2.939 0.372 1.00 0.00 C ATOM 1160 C ALA A 74 104.593 -4.156 -0.489 1.00 0.00 C ATOM 1161 O ALA A 74 104.501 -5.286 -0.050 1.00 0.00 O ATOM 1162 CB ALA A 74 102.920 -2.347 -0.091 1.00 0.00 C ATOM 0 H ALA A 74 105.043 -1.049 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 74 104.170 -3.239 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 74 102.133 -3.094 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.678 -1.476 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 74 102.999 -2.048 -1.136 1.00 0.00 H new ATOM 1168 N ALA A 75 104.987 -3.934 -1.713 1.00 0.00 N ATOM 1169 CA ALA A 75 105.336 -5.076 -2.603 1.00 0.00 C ATOM 1170 C ALA A 75 106.491 -5.865 -1.985 1.00 0.00 C ATOM 1171 O ALA A 75 106.540 -7.077 -2.061 1.00 0.00 O ATOM 1172 CB ALA A 75 105.757 -4.545 -3.974 1.00 0.00 C ATOM 0 H ALA A 75 105.082 -3.010 -2.135 1.00 0.00 H new ATOM 0 HA ALA A 75 104.469 -5.727 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.012 -5.381 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 75 104.935 -3.981 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 75 106.624 -3.895 -3.862 1.00 0.00 H new ATOM 1178 N ILE A 76 107.422 -5.188 -1.373 1.00 0.00 N ATOM 1179 CA ILE A 76 108.574 -5.899 -0.750 1.00 0.00 C ATOM 1180 C ILE A 76 108.059 -6.851 0.333 1.00 0.00 C ATOM 1181 O ILE A 76 108.419 -8.010 0.376 1.00 0.00 O ATOM 1182 CB ILE A 76 109.525 -4.876 -0.126 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.342 -4.202 -1.230 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.472 -5.581 0.848 1.00 0.00 C ATOM 1185 CD1 ILE A 76 111.079 -2.992 -0.655 1.00 0.00 C ATOM 0 H ILE A 76 107.435 -4.173 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 76 109.106 -6.471 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 76 108.946 -4.125 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 76 111.056 -4.909 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 76 109.686 -3.889 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 76 111.148 -4.850 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.892 -6.063 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 76 111.051 -6.333 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 76 111.661 -2.512 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.356 -2.282 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.747 -3.318 0.142 1.00 0.00 H new ATOM 1197 N PHE A 77 107.219 -6.369 1.209 1.00 0.00 N ATOM 1198 CA PHE A 77 106.686 -7.247 2.287 1.00 0.00 C ATOM 1199 C PHE A 77 105.819 -8.346 1.666 1.00 0.00 C ATOM 1200 O PHE A 77 105.737 -9.447 2.173 1.00 0.00 O ATOM 1201 CB PHE A 77 105.840 -6.414 3.253 1.00 0.00 C ATOM 1202 CG PHE A 77 106.743 -5.747 4.264 1.00 0.00 C ATOM 1203 CD1 PHE A 77 106.918 -4.358 4.238 1.00 0.00 C ATOM 1204 CD2 PHE A 77 107.405 -6.517 5.226 1.00 0.00 C ATOM 1205 CE1 PHE A 77 107.755 -3.740 5.175 1.00 0.00 C ATOM 1206 CE2 PHE A 77 108.243 -5.899 6.163 1.00 0.00 C ATOM 1207 CZ PHE A 77 108.417 -4.510 6.137 1.00 0.00 C ATOM 0 H PHE A 77 106.880 -5.407 1.224 1.00 0.00 H new ATOM 0 HA PHE A 77 107.515 -7.701 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 77 105.274 -5.662 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 77 105.115 -7.050 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 77 106.407 -3.763 3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 77 107.270 -7.588 5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 77 107.890 -2.669 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 77 108.755 -6.494 6.905 1.00 0.00 H new ATOM 0 HZ PHE A 77 109.062 -4.033 6.860 1.00 0.00 H new ATOM 1217 N THR A 78 105.170 -8.055 0.571 1.00 0.00 N ATOM 1218 CA THR A 78 104.312 -9.083 -0.081 1.00 0.00 C ATOM 1219 C THR A 78 105.201 -10.134 -0.747 1.00 0.00 C ATOM 1220 O THR A 78 104.942 -11.319 -0.675 1.00 0.00 O ATOM 1221 CB THR A 78 103.430 -8.413 -1.141 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.099 -7.099 -0.715 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.151 -9.227 -1.334 1.00 0.00 C ATOM 0 H THR A 78 105.197 -7.150 0.101 1.00 0.00 H new ATOM 0 HA THR A 78 103.680 -9.561 0.667 1.00 0.00 H new ATOM 0 HB THR A 78 103.971 -8.364 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.833 -6.489 -0.936 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.526 -8.749 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 78 102.407 -10.235 -1.661 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.607 -9.279 -0.391 1.00 0.00 H new ATOM 1231 N VAL A 79 106.251 -9.709 -1.394 1.00 0.00 N ATOM 1232 CA VAL A 79 107.158 -10.680 -2.063 1.00 0.00 C ATOM 1233 C VAL A 79 107.793 -11.587 -1.009 1.00 0.00 C ATOM 1234 O VAL A 79 108.010 -12.761 -1.235 1.00 0.00 O ATOM 1235 CB VAL A 79 108.254 -9.920 -2.811 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.253 -10.918 -3.401 1.00 0.00 C ATOM 1237 CG2 VAL A 79 107.623 -9.102 -3.941 1.00 0.00 C ATOM 0 H VAL A 79 106.519 -8.729 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 79 106.590 -11.285 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 79 108.771 -9.252 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.035 -10.378 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 79 109.700 -11.504 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 79 108.737 -11.585 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 79 108.402 -8.559 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.108 -9.771 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 79 106.909 -8.393 -3.522 1.00 0.00 H new ATOM 1247 N GLN A 80 108.087 -11.053 0.143 1.00 0.00 N ATOM 1248 CA GLN A 80 108.701 -11.888 1.213 1.00 0.00 C ATOM 1249 C GLN A 80 107.694 -12.948 1.659 1.00 0.00 C ATOM 1250 O GLN A 80 107.993 -14.124 1.702 1.00 0.00 O ATOM 1251 CB GLN A 80 109.077 -11.003 2.403 1.00 0.00 C ATOM 1252 CG GLN A 80 110.405 -10.298 2.118 1.00 0.00 C ATOM 1253 CD GLN A 80 110.532 -9.067 3.017 1.00 0.00 C ATOM 1254 OE1 GLN A 80 111.054 -7.972 2.532 1.00 0.00 O flip ATOM 1255 NE2 GLN A 80 110.154 -9.101 4.170 1.00 0.00 N flip ATOM 0 H GLN A 80 107.929 -10.076 0.390 1.00 0.00 H new ATOM 0 HA GLN A 80 109.599 -12.373 0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 80 108.294 -10.267 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 80 109.161 -11.607 3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 80 111.237 -10.980 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 80 110.455 -10.003 1.070 1.00 0.00 H new ATOM 0 HE21 GLN A 80 109.747 -9.956 4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 80 110.244 -8.274 4.761 1.00 0.00 H new ATOM 1264 N LEU A 81 106.497 -12.540 1.985 1.00 0.00 N ATOM 1265 CA LEU A 81 105.471 -13.528 2.420 1.00 0.00 C ATOM 1266 C LEU A 81 105.384 -14.647 1.381 1.00 0.00 C ATOM 1267 O LEU A 81 105.247 -15.805 1.713 1.00 0.00 O ATOM 1268 CB LEU A 81 104.112 -12.832 2.544 1.00 0.00 C ATOM 1269 CG LEU A 81 103.842 -12.490 4.011 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.842 -11.335 4.091 1.00 0.00 C ATOM 1271 CD2 LEU A 81 103.264 -13.717 4.719 1.00 0.00 C ATOM 0 H LEU A 81 106.187 -11.568 1.969 1.00 0.00 H new ATOM 0 HA LEU A 81 105.748 -13.947 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 104.101 -11.924 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.324 -13.480 2.160 1.00 0.00 H new ATOM 0 HG LEU A 81 104.774 -12.195 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 81 102.650 -11.092 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.253 -10.462 3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.909 -11.627 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 81 103.071 -13.476 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 81 102.332 -14.011 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 81 103.977 -14.539 4.662 1.00 0.00 H new ATOM 1283 N ASP A 82 105.466 -14.307 0.123 1.00 0.00 N ATOM 1284 CA ASP A 82 105.392 -15.354 -0.934 1.00 0.00 C ATOM 1285 C ASP A 82 106.539 -16.345 -0.739 1.00 0.00 C ATOM 1286 O ASP A 82 106.323 -17.527 -0.556 1.00 0.00 O ATOM 1287 CB ASP A 82 105.508 -14.700 -2.313 1.00 0.00 C ATOM 1288 CG ASP A 82 105.749 -15.779 -3.370 1.00 0.00 C ATOM 1289 OD1 ASP A 82 105.525 -16.939 -3.068 1.00 0.00 O ATOM 1290 OD2 ASP A 82 106.155 -15.425 -4.465 1.00 0.00 O ATOM 0 H ASP A 82 105.581 -13.352 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 82 104.439 -15.878 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 82 104.597 -14.147 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.327 -13.981 -2.319 1.00 0.00 H new ATOM 1295 N ASP A 83 107.757 -15.877 -0.770 1.00 0.00 N ATOM 1296 CA ASP A 83 108.906 -16.804 -0.576 1.00 0.00 C ATOM 1297 C ASP A 83 108.603 -17.726 0.600 1.00 0.00 C ATOM 1298 O ASP A 83 108.978 -18.881 0.614 1.00 0.00 O ATOM 1299 CB ASP A 83 110.174 -15.996 -0.285 1.00 0.00 C ATOM 1300 CG ASP A 83 111.389 -16.923 -0.325 1.00 0.00 C ATOM 1301 OD1 ASP A 83 111.290 -18.020 0.198 1.00 0.00 O ATOM 1302 OD2 ASP A 83 112.399 -16.520 -0.879 1.00 0.00 O ATOM 0 H ASP A 83 108.005 -14.899 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 83 109.061 -17.396 -1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.287 -15.199 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.098 -15.520 0.693 1.00 0.00 H new ATOM 1307 N TYR A 84 107.912 -17.225 1.588 1.00 0.00 N ATOM 1308 CA TYR A 84 107.570 -18.071 2.760 1.00 0.00 C ATOM 1309 C TYR A 84 106.424 -19.008 2.376 1.00 0.00 C ATOM 1310 O TYR A 84 106.292 -20.094 2.910 1.00 0.00 O ATOM 1311 CB TYR A 84 107.137 -17.177 3.926 1.00 0.00 C ATOM 1312 CG TYR A 84 106.381 -17.996 4.945 1.00 0.00 C ATOM 1313 CD1 TYR A 84 105.037 -17.711 5.212 1.00 0.00 C ATOM 1314 CD2 TYR A 84 107.023 -19.038 5.623 1.00 0.00 C ATOM 1315 CE1 TYR A 84 104.334 -18.469 6.156 1.00 0.00 C ATOM 1316 CE2 TYR A 84 106.321 -19.798 6.567 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.976 -19.512 6.833 1.00 0.00 C ATOM 1318 OH TYR A 84 104.283 -20.260 7.764 1.00 0.00 O ATOM 0 H TYR A 84 107.571 -16.265 1.631 1.00 0.00 H new ATOM 0 HA TYR A 84 108.438 -18.656 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 84 108.011 -16.720 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 84 106.509 -16.365 3.560 1.00 0.00 H new ATOM 0 HD1 TYR A 84 104.542 -16.906 4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 84 108.061 -19.256 5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 84 103.297 -18.249 6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 84 106.816 -20.603 7.089 1.00 0.00 H new ATOM 0 HH TYR A 84 104.875 -20.944 8.140 1.00 0.00 H new ATOM 1328 N LEU A 85 105.596 -18.600 1.451 1.00 0.00 N ATOM 1329 CA LEU A 85 104.461 -19.463 1.028 1.00 0.00 C ATOM 1330 C LEU A 85 104.557 -19.744 -0.473 1.00 0.00 C ATOM 1331 O LEU A 85 103.560 -19.896 -1.150 1.00 0.00 O ATOM 1332 CB LEU A 85 103.139 -18.756 1.333 1.00 0.00 C ATOM 1333 CG LEU A 85 102.812 -18.905 2.821 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.947 -17.729 3.276 1.00 0.00 C ATOM 1335 CD2 LEU A 85 102.053 -20.214 3.047 1.00 0.00 C ATOM 0 H LEU A 85 105.659 -17.703 0.970 1.00 0.00 H new ATOM 0 HA LEU A 85 104.503 -20.406 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.209 -17.701 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 85 102.338 -19.183 0.729 1.00 0.00 H new ATOM 0 HG LEU A 85 103.738 -18.917 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 85 101.715 -17.837 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.488 -16.796 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 85 101.021 -17.715 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 85 101.820 -20.321 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 85 101.128 -20.202 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 85 102.670 -21.053 2.725 1.00 0.00 H new ATOM 1347 N ASN A 86 105.749 -19.817 -1.000 1.00 0.00 N ATOM 1348 CA ASN A 86 105.899 -20.093 -2.456 1.00 0.00 C ATOM 1349 C ASN A 86 105.717 -21.588 -2.703 1.00 0.00 C ATOM 1350 O ASN A 86 106.245 -22.144 -3.645 1.00 0.00 O ATOM 1351 CB ASN A 86 107.291 -19.660 -2.921 1.00 0.00 C ATOM 1352 CG ASN A 86 107.300 -19.524 -4.444 1.00 0.00 C ATOM 1353 OD1 ASN A 86 107.913 -18.511 -4.992 1.00 0.00 O flip ATOM 1354 ND2 ASN A 86 106.744 -20.348 -5.144 1.00 0.00 N flip ATOM 0 H ASN A 86 106.622 -19.698 -0.487 1.00 0.00 H new ATOM 0 HA ASN A 86 105.147 -19.535 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 86 107.562 -18.711 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 86 108.035 -20.391 -2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 86 106.265 -21.140 -4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 86 106.757 -20.247 -6.159 1.00 0.00 H new ATOM 1361 N GLY A 87 104.969 -22.235 -1.860 1.00 0.00 N ATOM 1362 CA GLY A 87 104.739 -23.698 -2.034 1.00 0.00 C ATOM 1363 C GLY A 87 103.504 -23.919 -2.909 1.00 0.00 C ATOM 1364 O GLY A 87 103.533 -24.676 -3.860 1.00 0.00 O ATOM 0 H GLY A 87 104.504 -21.816 -1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 87 105.612 -24.162 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 87 104.600 -24.173 -1.063 1.00 0.00 H new ATOM 1368 N ARG A 88 102.419 -23.264 -2.598 1.00 0.00 N ATOM 1369 CA ARG A 88 101.184 -23.435 -3.412 1.00 0.00 C ATOM 1370 C ARG A 88 100.269 -22.226 -3.210 1.00 0.00 C ATOM 1371 O ARG A 88 99.068 -22.360 -3.087 1.00 0.00 O ATOM 1372 CB ARG A 88 100.454 -24.707 -2.975 1.00 0.00 C ATOM 1373 CG ARG A 88 101.226 -25.935 -3.460 1.00 0.00 C ATOM 1374 CD ARG A 88 100.307 -27.159 -3.428 1.00 0.00 C ATOM 1375 NE ARG A 88 99.500 -27.141 -2.176 1.00 0.00 N ATOM 1376 CZ ARG A 88 100.071 -27.389 -1.030 1.00 0.00 C ATOM 1377 NH1 ARG A 88 99.365 -27.371 0.067 1.00 0.00 N ATOM 1378 NH2 ARG A 88 101.348 -27.659 -0.980 1.00 0.00 N ATOM 0 H ARG A 88 102.335 -22.617 -1.814 1.00 0.00 H new ATOM 0 HA ARG A 88 101.452 -23.516 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 88 100.360 -24.730 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 88 99.443 -24.716 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 88 101.595 -25.770 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 88 102.097 -26.104 -2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 88 99.649 -27.156 -4.297 1.00 0.00 H new ATOM 0 HD3 ARG A 88 100.899 -28.073 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 88 98.502 -26.935 -2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 88 98.367 -27.163 0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 88 99.811 -27.565 0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 88 101.900 -27.676 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 88 101.794 -27.853 -0.083 1.00 0.00 H new ATOM 1392 N ALA A 89 100.828 -21.048 -3.179 1.00 0.00 N ATOM 1393 CA ALA A 89 99.994 -19.826 -2.987 1.00 0.00 C ATOM 1394 C ALA A 89 100.309 -18.821 -4.098 1.00 0.00 C ATOM 1395 O ALA A 89 101.297 -18.945 -4.796 1.00 0.00 O ATOM 1396 CB ALA A 89 100.312 -19.200 -1.628 1.00 0.00 C ATOM 0 H ALA A 89 101.829 -20.878 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 89 98.938 -20.094 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.703 -18.307 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 89 100.093 -19.917 -0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 89 101.367 -18.929 -1.590 1.00 0.00 H new ATOM 1402 N VAL A 90 99.480 -17.828 -4.269 1.00 0.00 N ATOM 1403 CA VAL A 90 99.735 -16.819 -5.337 1.00 0.00 C ATOM 1404 C VAL A 90 99.489 -15.413 -4.784 1.00 0.00 C ATOM 1405 O VAL A 90 98.925 -15.244 -3.722 1.00 0.00 O ATOM 1406 CB VAL A 90 98.794 -17.076 -6.515 1.00 0.00 C ATOM 1407 CG1 VAL A 90 98.991 -15.989 -7.572 1.00 0.00 C ATOM 1408 CG2 VAL A 90 99.106 -18.444 -7.126 1.00 0.00 C ATOM 0 H VAL A 90 98.637 -17.671 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 90 100.769 -16.900 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 90 97.761 -17.060 -6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 90 98.320 -16.172 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 90 98.770 -15.014 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 90 100.023 -16.005 -7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 90 98.436 -18.629 -7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 90 100.138 -18.460 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 90 98.966 -19.219 -6.373 1.00 0.00 H new ATOM 1418 N GLN A 91 99.906 -14.404 -5.501 1.00 0.00 N ATOM 1419 CA GLN A 91 99.697 -13.006 -5.023 1.00 0.00 C ATOM 1420 C GLN A 91 98.836 -12.246 -6.032 1.00 0.00 C ATOM 1421 O GLN A 91 99.055 -12.315 -7.225 1.00 0.00 O ATOM 1422 CB GLN A 91 101.053 -12.309 -4.882 1.00 0.00 C ATOM 1423 CG GLN A 91 102.064 -13.276 -4.260 1.00 0.00 C ATOM 1424 CD GLN A 91 102.676 -14.148 -5.357 1.00 0.00 C ATOM 1425 OE1 GLN A 91 102.159 -14.127 -6.555 1.00 0.00 O flip ATOM 1426 NE2 GLN A 91 103.634 -14.857 -5.121 1.00 0.00 N flip ATOM 0 H GLN A 91 100.383 -14.488 -6.399 1.00 0.00 H new ATOM 0 HA GLN A 91 99.194 -13.023 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 91 101.406 -11.976 -5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 91 100.954 -11.420 -4.259 1.00 0.00 H new ATOM 0 HG2 GLN A 91 102.846 -12.719 -3.744 1.00 0.00 H new ATOM 0 HG3 GLN A 91 101.574 -13.902 -3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 91 104.038 -14.873 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 91 104.034 -15.436 -5.859 1.00 0.00 H new ATOM 1435 N HIS A 92 97.856 -11.521 -5.563 1.00 0.00 N ATOM 1436 CA HIS A 92 96.979 -10.756 -6.495 1.00 0.00 C ATOM 1437 C HIS A 92 97.324 -9.267 -6.418 1.00 0.00 C ATOM 1438 O HIS A 92 96.978 -8.588 -5.471 1.00 0.00 O ATOM 1439 CB HIS A 92 95.515 -10.957 -6.099 1.00 0.00 C ATOM 1440 CG HIS A 92 95.138 -12.402 -6.281 1.00 0.00 C ATOM 1441 ND1 HIS A 92 95.635 -13.557 -5.728 1.00 0.00 N flip ATOM 1442 CD2 HIS A 92 94.115 -12.798 -7.132 1.00 0.00 C flip ATOM 1443 CE1 HIS A 92 94.933 -14.648 -6.227 1.00 0.00 C flip ATOM 1444 NE2 HIS A 92 94.029 -14.140 -7.067 1.00 0.00 N flip ATOM 0 H HIS A 92 97.625 -11.426 -4.574 1.00 0.00 H new ATOM 0 HA HIS A 92 97.135 -11.114 -7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.364 -10.659 -5.061 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.872 -10.323 -6.710 1.00 0.00 H new ATOM 0 HD2 HIS A 92 93.500 -12.148 -7.736 1.00 0.00 H new ATOM 0 HE1 HIS A 92 95.087 -15.689 -5.985 1.00 0.00 H new ATOM 0 HE2 HIS A 92 93.357 -14.698 -7.594 1.00 0.00 H new ATOM 1452 N ARG A 93 97.999 -8.751 -7.409 1.00 0.00 N ATOM 1453 CA ARG A 93 98.359 -7.305 -7.392 1.00 0.00 C ATOM 1454 C ARG A 93 97.136 -6.475 -7.782 1.00 0.00 C ATOM 1455 O ARG A 93 96.782 -6.382 -8.941 1.00 0.00 O ATOM 1456 CB ARG A 93 99.492 -7.048 -8.388 1.00 0.00 C ATOM 1457 CG ARG A 93 100.831 -7.408 -7.745 1.00 0.00 C ATOM 1458 CD ARG A 93 101.860 -7.707 -8.837 1.00 0.00 C ATOM 1459 NE ARG A 93 101.740 -9.132 -9.255 1.00 0.00 N ATOM 1460 CZ ARG A 93 102.286 -9.533 -10.370 1.00 0.00 C ATOM 1461 NH1 ARG A 93 102.181 -10.782 -10.736 1.00 0.00 N ATOM 1462 NH2 ARG A 93 102.937 -8.686 -11.120 1.00 0.00 N ATOM 0 H ARG A 93 98.316 -9.268 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 93 98.687 -7.022 -6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.339 -7.641 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 93 99.493 -6.001 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 93 101.178 -6.586 -7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 93 100.713 -8.275 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 93 101.699 -7.051 -9.693 1.00 0.00 H new ATOM 0 HD3 ARG A 93 102.866 -7.509 -8.468 1.00 0.00 H new ATOM 0 HE ARG A 93 101.231 -9.794 -8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 93 101.672 -11.444 -10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 93 102.608 -11.096 -11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 93 103.019 -7.710 -10.834 1.00 0.00 H new ATOM 0 HH22 ARG A 93 103.364 -9.000 -11.992 1.00 0.00 H new ATOM 1476 N GLU A 94 96.482 -5.876 -6.826 1.00 0.00 N ATOM 1477 CA GLU A 94 95.277 -5.057 -7.143 1.00 0.00 C ATOM 1478 C GLU A 94 95.639 -3.570 -7.110 1.00 0.00 C ATOM 1479 O GLU A 94 96.293 -3.099 -6.200 1.00 0.00 O ATOM 1480 CB GLU A 94 94.184 -5.340 -6.112 1.00 0.00 C ATOM 1481 CG GLU A 94 93.827 -6.828 -6.139 1.00 0.00 C ATOM 1482 CD GLU A 94 93.255 -7.242 -4.783 1.00 0.00 C ATOM 1483 OE1 GLU A 94 93.042 -6.368 -3.959 1.00 0.00 O ATOM 1484 OE2 GLU A 94 93.041 -8.428 -4.590 1.00 0.00 O ATOM 0 H GLU A 94 96.730 -5.918 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 94 94.916 -5.317 -8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.526 -5.056 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.301 -4.740 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 94 93.100 -7.024 -6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.713 -7.421 -6.368 1.00 0.00 H new ATOM 1491 N VAL A 95 95.212 -2.828 -8.096 1.00 0.00 N ATOM 1492 CA VAL A 95 95.522 -1.372 -8.128 1.00 0.00 C ATOM 1493 C VAL A 95 94.246 -0.591 -8.449 1.00 0.00 C ATOM 1494 O VAL A 95 93.242 -1.155 -8.832 1.00 0.00 O ATOM 1495 CB VAL A 95 96.575 -1.097 -9.202 1.00 0.00 C ATOM 1496 CG1 VAL A 95 97.213 0.271 -8.950 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.656 -2.179 -9.149 1.00 0.00 C ATOM 0 H VAL A 95 94.660 -3.170 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 95 95.907 -1.059 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 95 96.102 -1.105 -10.184 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.964 0.469 -9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 95 96.445 1.043 -8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.685 0.277 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 95 98.406 -1.982 -9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 95 98.130 -2.172 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 95 97.203 -3.155 -9.327 1.00 0.00 H new ATOM 1507 N GLN A 96 94.278 0.704 -8.295 1.00 0.00 N ATOM 1508 CA GLN A 96 93.065 1.517 -8.591 1.00 0.00 C ATOM 1509 C GLN A 96 92.811 1.528 -10.100 1.00 0.00 C ATOM 1510 O GLN A 96 93.624 1.994 -10.873 1.00 0.00 O ATOM 1511 CB GLN A 96 93.280 2.951 -8.100 1.00 0.00 C ATOM 1512 CG GLN A 96 91.953 3.713 -8.151 1.00 0.00 C ATOM 1513 CD GLN A 96 92.230 5.213 -8.255 1.00 0.00 C ATOM 1514 OE1 GLN A 96 91.935 5.962 -7.344 1.00 0.00 O ATOM 1515 NE2 GLN A 96 92.786 5.690 -9.335 1.00 0.00 N ATOM 0 H GLN A 96 95.090 1.234 -7.978 1.00 0.00 H new ATOM 0 HA GLN A 96 92.205 1.083 -8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.668 2.944 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.023 3.452 -8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 96 91.363 3.381 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.366 3.502 -7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 96 93.034 5.063 -10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 96 92.972 6.690 -9.414 1.00 0.00 H new ATOM 1524 N GLY A 97 91.687 1.016 -10.524 1.00 0.00 N ATOM 1525 CA GLY A 97 91.381 0.999 -11.982 1.00 0.00 C ATOM 1526 C GLY A 97 91.886 -0.309 -12.597 1.00 0.00 C ATOM 1527 O GLY A 97 91.931 -0.462 -13.802 1.00 0.00 O ATOM 0 H GLY A 97 90.969 0.610 -9.924 1.00 0.00 H new ATOM 0 HA2 GLY A 97 90.307 1.096 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 97 91.853 1.850 -12.473 1.00 0.00 H new ATOM 1531 N PHE A 98 92.266 -1.254 -11.780 1.00 0.00 N ATOM 1532 CA PHE A 98 92.767 -2.549 -12.324 1.00 0.00 C ATOM 1533 C PHE A 98 92.504 -3.668 -11.314 1.00 0.00 C ATOM 1534 O PHE A 98 93.179 -4.678 -11.307 1.00 0.00 O ATOM 1535 CB PHE A 98 94.270 -2.442 -12.588 1.00 0.00 C ATOM 1536 CG PHE A 98 94.502 -1.844 -13.955 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.548 -0.452 -14.112 1.00 0.00 C ATOM 1538 CD2 PHE A 98 94.668 -2.678 -15.066 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.761 0.103 -15.379 1.00 0.00 C ATOM 1540 CE2 PHE A 98 94.881 -2.123 -16.334 1.00 0.00 C ATOM 1541 CZ PHE A 98 94.929 -0.732 -16.489 1.00 0.00 C ATOM 0 H PHE A 98 92.251 -1.186 -10.762 1.00 0.00 H new ATOM 0 HA PHE A 98 92.248 -2.775 -13.256 1.00 0.00 H new ATOM 0 HB2 PHE A 98 94.741 -1.823 -11.824 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.731 -3.428 -12.528 1.00 0.00 H new ATOM 0 HD1 PHE A 98 94.419 0.192 -13.255 1.00 0.00 H new ATOM 0 HD2 PHE A 98 94.632 -3.751 -14.946 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.796 1.176 -15.500 1.00 0.00 H new ATOM 0 HE2 PHE A 98 95.008 -2.767 -17.192 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.096 -0.303 -17.466 1.00 0.00 H new ATOM 1551 N GLU A 99 91.531 -3.500 -10.461 1.00 0.00 N ATOM 1552 CA GLU A 99 91.230 -4.559 -9.456 1.00 0.00 C ATOM 1553 C GLU A 99 91.291 -5.932 -10.130 1.00 0.00 C ATOM 1554 O GLU A 99 91.034 -6.067 -11.310 1.00 0.00 O ATOM 1555 CB GLU A 99 89.831 -4.335 -8.880 1.00 0.00 C ATOM 1556 CG GLU A 99 89.818 -3.046 -8.055 1.00 0.00 C ATOM 1557 CD GLU A 99 88.620 -3.063 -7.103 1.00 0.00 C ATOM 1558 OE1 GLU A 99 87.785 -2.179 -7.220 1.00 0.00 O ATOM 1559 OE2 GLU A 99 88.558 -3.955 -6.275 1.00 0.00 O ATOM 0 H GLU A 99 90.932 -2.676 -10.416 1.00 0.00 H new ATOM 0 HA GLU A 99 91.964 -4.515 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 99 89.100 -4.270 -9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 99 89.543 -5.181 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 99 90.745 -2.954 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 99 89.760 -2.180 -8.714 1.00 0.00 H new ATOM 1566 N SER A 100 91.631 -6.953 -9.390 1.00 0.00 N ATOM 1567 CA SER A 100 91.709 -8.314 -9.990 1.00 0.00 C ATOM 1568 C SER A 100 90.299 -8.891 -10.136 1.00 0.00 C ATOM 1569 O SER A 100 89.343 -8.365 -9.603 1.00 0.00 O ATOM 1570 CB SER A 100 92.539 -9.225 -9.082 1.00 0.00 C ATOM 1571 OG SER A 100 91.674 -9.900 -8.179 1.00 0.00 O ATOM 0 H SER A 100 91.858 -6.902 -8.397 1.00 0.00 H new ATOM 0 HA SER A 100 92.179 -8.250 -10.971 1.00 0.00 H new ATOM 0 HB2 SER A 100 93.094 -9.947 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 100 93.273 -8.637 -8.530 1.00 0.00 H new ATOM 0 HG SER A 100 92.202 -10.486 -7.597 1.00 0.00 H new ATOM 1577 N ALA A 101 90.163 -9.971 -10.858 1.00 0.00 N ATOM 1578 CA ALA A 101 88.816 -10.581 -11.040 1.00 0.00 C ATOM 1579 C ALA A 101 88.400 -11.294 -9.751 1.00 0.00 C ATOM 1580 O ALA A 101 87.413 -10.949 -9.131 1.00 0.00 O ATOM 1581 CB ALA A 101 88.863 -11.590 -12.188 1.00 0.00 C ATOM 0 H ALA A 101 90.927 -10.456 -11.329 1.00 0.00 H new ATOM 0 HA ALA A 101 88.093 -9.800 -11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 101 87.877 -12.036 -12.321 1.00 0.00 H new ATOM 0 HB2 ALA A 101 89.159 -11.083 -13.106 1.00 0.00 H new ATOM 0 HB3 ALA A 101 89.587 -12.371 -11.956 1.00 0.00 H new ATOM 1587 N THR A 102 89.144 -12.286 -9.343 1.00 0.00 N ATOM 1588 CA THR A 102 88.786 -13.017 -8.095 1.00 0.00 C ATOM 1589 C THR A 102 88.476 -12.010 -6.989 1.00 0.00 C ATOM 1590 O THR A 102 87.507 -12.139 -6.268 1.00 0.00 O ATOM 1591 CB THR A 102 89.959 -13.901 -7.664 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.368 -14.709 -8.760 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.526 -14.797 -6.502 1.00 0.00 C ATOM 0 H THR A 102 89.982 -12.621 -9.819 1.00 0.00 H new ATOM 0 HA THR A 102 87.911 -13.640 -8.278 1.00 0.00 H new ATOM 0 HB THR A 102 90.790 -13.272 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 102 91.120 -15.275 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.362 -15.426 -6.196 1.00 0.00 H new ATOM 0 HG22 THR A 102 89.212 -14.177 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.695 -15.427 -6.819 1.00 0.00 H new ATOM 1601 N PHE A 103 89.293 -11.005 -6.851 1.00 0.00 N ATOM 1602 CA PHE A 103 89.049 -9.984 -5.793 1.00 0.00 C ATOM 1603 C PHE A 103 87.675 -9.349 -6.008 1.00 0.00 C ATOM 1604 O PHE A 103 86.850 -9.316 -5.115 1.00 0.00 O ATOM 1605 CB PHE A 103 90.129 -8.902 -5.870 1.00 0.00 C ATOM 1606 CG PHE A 103 90.145 -8.117 -4.580 1.00 0.00 C ATOM 1607 CD1 PHE A 103 89.568 -6.841 -4.529 1.00 0.00 C ATOM 1608 CD2 PHE A 103 90.734 -8.663 -3.434 1.00 0.00 C ATOM 1609 CE1 PHE A 103 89.581 -6.114 -3.334 1.00 0.00 C ATOM 1610 CE2 PHE A 103 90.748 -7.936 -2.238 1.00 0.00 C ATOM 1611 CZ PHE A 103 90.171 -6.661 -2.189 1.00 0.00 C ATOM 0 H PHE A 103 90.121 -10.845 -7.425 1.00 0.00 H new ATOM 0 HA PHE A 103 89.081 -10.460 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 103 91.104 -9.357 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 103 89.934 -8.237 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 103 89.113 -6.419 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 103 91.178 -9.647 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 103 89.136 -5.131 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.203 -8.358 -1.354 1.00 0.00 H new ATOM 0 HZ PHE A 103 90.181 -6.099 -1.267 1.00 0.00 H new ATOM 1621 N LEU A 104 87.420 -8.846 -7.185 1.00 0.00 N ATOM 1622 CA LEU A 104 86.098 -8.215 -7.454 1.00 0.00 C ATOM 1623 C LEU A 104 84.984 -9.220 -7.150 1.00 0.00 C ATOM 1624 O LEU A 104 83.885 -8.853 -6.788 1.00 0.00 O ATOM 1625 CB LEU A 104 86.020 -7.799 -8.926 1.00 0.00 C ATOM 1626 CG LEU A 104 86.582 -6.384 -9.087 1.00 0.00 C ATOM 1627 CD1 LEU A 104 87.075 -6.191 -10.523 1.00 0.00 C ATOM 1628 CD2 LEU A 104 85.483 -5.363 -8.785 1.00 0.00 C ATOM 0 H LEU A 104 88.070 -8.845 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 104 85.979 -7.336 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 104 86.584 -8.498 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.986 -7.833 -9.270 1.00 0.00 H new ATOM 0 HG LEU A 104 87.412 -6.242 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 104 87.475 -5.184 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.857 -6.919 -10.740 1.00 0.00 H new ATOM 0 HD13 LEU A 104 86.245 -6.333 -11.215 1.00 0.00 H new ATOM 0 HD21 LEU A 104 85.882 -4.355 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.653 -5.506 -9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 104 85.130 -5.500 -7.763 1.00 0.00 H new ATOM 1640 N GLY A 105 85.262 -10.488 -7.293 1.00 0.00 N ATOM 1641 CA GLY A 105 84.220 -11.515 -7.012 1.00 0.00 C ATOM 1642 C GLY A 105 84.090 -11.709 -5.501 1.00 0.00 C ATOM 1643 O GLY A 105 83.057 -12.110 -5.003 1.00 0.00 O ATOM 0 H GLY A 105 86.165 -10.856 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 105 83.264 -11.203 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 105 84.486 -12.458 -7.489 1.00 0.00 H new ATOM 1647 N TYR A 106 85.130 -11.426 -4.766 1.00 0.00 N ATOM 1648 CA TYR A 106 85.068 -11.594 -3.288 1.00 0.00 C ATOM 1649 C TYR A 106 84.304 -10.418 -2.676 1.00 0.00 C ATOM 1650 O TYR A 106 83.657 -10.547 -1.654 1.00 0.00 O ATOM 1651 CB TYR A 106 86.491 -11.639 -2.719 1.00 0.00 C ATOM 1652 CG TYR A 106 86.580 -12.700 -1.647 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.275 -14.032 -1.954 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.965 -12.352 -0.347 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.356 -15.015 -0.961 1.00 0.00 C ATOM 1656 CE2 TYR A 106 87.048 -13.336 0.645 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.743 -14.667 0.339 1.00 0.00 C ATOM 1658 OH TYR A 106 86.823 -15.637 1.319 1.00 0.00 O ATOM 0 H TYR A 106 86.021 -11.085 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 106 84.554 -12.524 -3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 106 87.204 -11.853 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.758 -10.667 -2.304 1.00 0.00 H new ATOM 0 HD1 TYR A 106 85.977 -14.301 -2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 106 87.198 -11.325 -0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.120 -16.042 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 106 87.348 -13.068 1.647 1.00 0.00 H new ATOM 0 HH TYR A 106 87.107 -15.227 2.163 1.00 0.00 H new ATOM 1668 N PHE A 107 84.370 -9.272 -3.295 1.00 0.00 N ATOM 1669 CA PHE A 107 83.649 -8.088 -2.755 1.00 0.00 C ATOM 1670 C PHE A 107 83.012 -7.312 -3.910 1.00 0.00 C ATOM 1671 O PHE A 107 83.667 -6.961 -4.870 1.00 0.00 O ATOM 1672 CB PHE A 107 84.633 -7.180 -2.013 1.00 0.00 C ATOM 1673 CG PHE A 107 85.211 -7.918 -0.828 1.00 0.00 C ATOM 1674 CD1 PHE A 107 86.589 -8.144 -0.751 1.00 0.00 C ATOM 1675 CD2 PHE A 107 84.368 -8.372 0.195 1.00 0.00 C ATOM 1676 CE1 PHE A 107 87.127 -8.826 0.348 1.00 0.00 C ATOM 1677 CE2 PHE A 107 84.906 -9.052 1.294 1.00 0.00 C ATOM 1678 CZ PHE A 107 86.285 -9.281 1.369 1.00 0.00 C ATOM 0 H PHE A 107 84.894 -9.105 -4.154 1.00 0.00 H new ATOM 0 HA PHE A 107 82.873 -8.420 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.433 -6.868 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 107 84.126 -6.275 -1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 107 87.239 -7.793 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 107 83.304 -8.197 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 107 88.191 -9.001 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.257 -9.400 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 107 86.699 -9.809 2.215 1.00 0.00 H new ATOM 1688 N LYS A 108 81.737 -7.043 -3.825 1.00 0.00 N ATOM 1689 CA LYS A 108 81.057 -6.292 -4.919 1.00 0.00 C ATOM 1690 C LYS A 108 80.786 -4.857 -4.462 1.00 0.00 C ATOM 1691 O LYS A 108 81.208 -3.906 -5.088 1.00 0.00 O ATOM 1692 CB LYS A 108 79.735 -6.979 -5.261 1.00 0.00 C ATOM 1693 CG LYS A 108 79.068 -6.253 -6.432 1.00 0.00 C ATOM 1694 CD LYS A 108 77.697 -6.874 -6.705 1.00 0.00 C ATOM 1695 CE LYS A 108 77.859 -8.367 -6.993 1.00 0.00 C ATOM 1696 NZ LYS A 108 79.116 -8.592 -7.761 1.00 0.00 N ATOM 0 H LYS A 108 81.137 -7.311 -3.045 1.00 0.00 H new ATOM 0 HA LYS A 108 81.696 -6.275 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 108 79.912 -8.023 -5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 108 79.075 -6.974 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 108 78.959 -5.193 -6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 108 79.694 -6.323 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 108 77.043 -6.728 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 108 77.224 -6.379 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 108 77.886 -8.928 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 108 77.003 -8.734 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 79.028 -9.462 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 79.284 -7.785 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 79.914 -8.686 -7.101 1.00 0.00 H new ATOM 1710 N SER A 109 80.081 -4.694 -3.376 1.00 0.00 N ATOM 1711 CA SER A 109 79.780 -3.321 -2.880 1.00 0.00 C ATOM 1712 C SER A 109 80.637 -3.024 -1.646 1.00 0.00 C ATOM 1713 O SER A 109 80.378 -2.094 -0.910 1.00 0.00 O ATOM 1714 CB SER A 109 78.300 -3.227 -2.506 1.00 0.00 C ATOM 1715 OG SER A 109 77.955 -1.865 -2.293 1.00 0.00 O ATOM 0 H SER A 109 79.700 -5.453 -2.810 1.00 0.00 H new ATOM 0 HA SER A 109 80.005 -2.596 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 109 77.685 -3.650 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 109 78.103 -3.809 -1.606 1.00 0.00 H new ATOM 0 HG SER A 109 78.652 -1.431 -1.758 1.00 0.00 H new ATOM 1721 N GLY A 110 81.653 -3.810 -1.415 1.00 0.00 N ATOM 1722 CA GLY A 110 82.525 -3.574 -0.228 1.00 0.00 C ATOM 1723 C GLY A 110 83.864 -2.987 -0.682 1.00 0.00 C ATOM 1724 O GLY A 110 84.880 -3.173 -0.043 1.00 0.00 O ATOM 0 H GLY A 110 81.917 -4.605 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 110 82.034 -2.892 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 110 82.689 -4.509 0.307 1.00 0.00 H new ATOM 1728 N LEU A 111 83.873 -2.279 -1.778 1.00 0.00 N ATOM 1729 CA LEU A 111 85.143 -1.683 -2.266 1.00 0.00 C ATOM 1730 C LEU A 111 84.872 -0.280 -2.819 1.00 0.00 C ATOM 1731 O LEU A 111 85.204 0.028 -3.946 1.00 0.00 O ATOM 1732 CB LEU A 111 85.729 -2.561 -3.373 1.00 0.00 C ATOM 1733 CG LEU A 111 84.623 -2.970 -4.351 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.197 -3.065 -5.765 1.00 0.00 C ATOM 1735 CD2 LEU A 111 84.054 -4.332 -3.943 1.00 0.00 C ATOM 0 H LEU A 111 83.054 -2.089 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 111 85.852 -1.618 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 111 86.513 -2.020 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 111 86.191 -3.448 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 111 83.830 -2.222 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 111 84.408 -3.356 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 111 85.600 -2.096 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 111 85.992 -3.811 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 111 83.267 -4.621 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 111 84.848 -5.078 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 111 83.641 -4.267 -2.936 1.00 0.00 H new ATOM 1747 N LYS A 112 84.274 0.572 -2.031 1.00 0.00 N ATOM 1748 CA LYS A 112 83.986 1.951 -2.512 1.00 0.00 C ATOM 1749 C LYS A 112 85.284 2.758 -2.554 1.00 0.00 C ATOM 1750 O LYS A 112 86.083 2.714 -1.640 1.00 0.00 O ATOM 1751 CB LYS A 112 82.995 2.627 -1.562 1.00 0.00 C ATOM 1752 CG LYS A 112 82.432 3.887 -2.223 1.00 0.00 C ATOM 1753 CD LYS A 112 81.352 4.496 -1.327 1.00 0.00 C ATOM 1754 CE LYS A 112 82.000 5.432 -0.304 1.00 0.00 C ATOM 1755 NZ LYS A 112 81.033 5.716 0.792 1.00 0.00 N ATOM 0 H LYS A 112 83.973 0.372 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 112 83.555 1.904 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 112 82.185 1.940 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 112 83.490 2.885 -0.626 1.00 0.00 H new ATOM 0 HG2 LYS A 112 83.230 4.610 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 112 82.014 3.642 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 112 80.631 5.046 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 112 80.802 3.706 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 112 82.902 4.975 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 112 82.303 6.361 -0.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 81.473 6.352 1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 80.184 6.169 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 80.765 4.826 1.258 1.00 0.00 H new ATOM 1769 N TYR A 113 85.502 3.495 -3.608 1.00 0.00 N ATOM 1770 CA TYR A 113 86.749 4.304 -3.708 1.00 0.00 C ATOM 1771 C TYR A 113 86.491 5.709 -3.159 1.00 0.00 C ATOM 1772 O TYR A 113 85.762 6.488 -3.740 1.00 0.00 O ATOM 1773 CB TYR A 113 87.177 4.400 -5.174 1.00 0.00 C ATOM 1774 CG TYR A 113 86.844 3.109 -5.881 1.00 0.00 C ATOM 1775 CD1 TYR A 113 85.542 2.877 -6.340 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.838 2.141 -6.078 1.00 0.00 C ATOM 1777 CE1 TYR A 113 85.233 1.678 -6.995 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.529 0.943 -6.732 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.226 0.712 -7.191 1.00 0.00 C ATOM 1780 OH TYR A 113 85.922 -0.469 -7.837 1.00 0.00 O ATOM 0 H TYR A 113 84.870 3.572 -4.405 1.00 0.00 H new ATOM 0 HA TYR A 113 87.540 3.827 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 113 86.669 5.234 -5.658 1.00 0.00 H new ATOM 0 HB3 TYR A 113 88.247 4.597 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 113 84.776 3.623 -6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.843 2.320 -5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 113 84.228 1.499 -7.349 1.00 0.00 H new ATOM 0 HE2 TYR A 113 88.295 0.197 -6.883 1.00 0.00 H new ATOM 0 HH TYR A 113 86.743 -0.986 -7.976 1.00 0.00 H new ATOM 1790 N LYS A 114 87.082 6.037 -2.042 1.00 0.00 N ATOM 1791 CA LYS A 114 86.871 7.392 -1.454 1.00 0.00 C ATOM 1792 C LYS A 114 88.142 8.227 -1.621 1.00 0.00 C ATOM 1793 O LYS A 114 89.202 7.863 -1.151 1.00 0.00 O ATOM 1794 CB LYS A 114 86.544 7.255 0.035 1.00 0.00 C ATOM 1795 CG LYS A 114 85.195 6.553 0.201 1.00 0.00 C ATOM 1796 CD LYS A 114 84.576 6.942 1.545 1.00 0.00 C ATOM 1797 CE LYS A 114 83.785 8.242 1.388 1.00 0.00 C ATOM 1798 NZ LYS A 114 83.085 8.556 2.666 1.00 0.00 N ATOM 0 H LYS A 114 87.702 5.426 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 114 86.044 7.884 -1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 114 87.326 6.686 0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 114 86.514 8.239 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 114 84.526 6.832 -0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 114 85.327 5.472 0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 114 83.921 6.146 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 114 85.358 7.068 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 114 84.456 9.058 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 114 83.061 8.144 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 82.547 9.440 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 82.434 7.781 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 83.785 8.667 3.427 1.00 0.00 H new ATOM 1812 N LYS A 115 88.045 9.345 -2.288 1.00 0.00 N ATOM 1813 CA LYS A 115 89.247 10.202 -2.483 1.00 0.00 C ATOM 1814 C LYS A 115 89.839 10.569 -1.121 1.00 0.00 C ATOM 1815 O LYS A 115 89.179 11.146 -0.282 1.00 0.00 O ATOM 1816 CB LYS A 115 88.847 11.480 -3.226 1.00 0.00 C ATOM 1817 CG LYS A 115 88.111 11.111 -4.515 1.00 0.00 C ATOM 1818 CD LYS A 115 88.087 12.318 -5.455 1.00 0.00 C ATOM 1819 CE LYS A 115 87.470 11.910 -6.793 1.00 0.00 C ATOM 1820 NZ LYS A 115 86.976 13.124 -7.502 1.00 0.00 N ATOM 0 H LYS A 115 87.185 9.701 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 115 89.990 9.658 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 115 88.208 12.096 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 115 89.733 12.072 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 115 88.605 10.269 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 115 87.093 10.795 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 115 87.511 13.128 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 115 89.099 12.693 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 115 88.210 11.394 -7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 115 86.649 11.212 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 86.556 12.848 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 86.257 13.598 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 87.770 13.775 -7.670 1.00 0.00 H new