USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 891 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 88 ASN : amide:sc= 2.07 K(o=3.4,f=-4.9!) USER MOD Set 1.2: A 90 THR OG1 : rot 41:sc= 1.3 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.00799 (180deg=0) USER MOD Single : A 2 CYS SG : rot -23:sc= 0.932 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0235 USER MOD Single : A 14 MET CE :methyl 162:sc= -0.6 (180deg=-1.14!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= -0.0629 (180deg=-0.367) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.49) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= 0.898 (180deg=-0.075) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 12:sc= 0.18 USER MOD Single : A 41 CYS SG : rot 151:sc= -3.29 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.853 K(o=0.85,f=-3.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 80:sc= 0.393 USER MOD Single : A 51 SER OG : rot 180:sc= 0.07 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 1.63 K(o=1.6,f=-7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 41:sc= 1.21 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.588 K(o=0.59,f=-0.051) USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= 1.13 (180deg=-0.469) USER MOD Single : A 86 ASN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 91 ASN : amide:sc= 0.168 K(o=0.17,f=-1.8!) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -150:sc= -0.942 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.0185 USER MOD Single : A 104 ASN : amide:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.279 K(o=-0.28,f=-7.9!) USER MOD Single : A 117 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0315) USER MOD Single : A 118 GLN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.955 23.124 -18.495 1.00 62.32 N ATOM 2 CA GLY A 1 -11.996 23.397 -17.495 1.00 50.11 C ATOM 3 C GLY A 1 -12.791 22.137 -17.211 1.00 41.14 C ATOM 4 O GLY A 1 -12.173 21.103 -16.985 1.00 22.33 O ATOM 0 H1 GLY A 1 -10.087 23.638 -18.242 1.00 62.32 H new ATOM 0 H2 GLY A 1 -10.757 22.103 -18.521 1.00 62.32 H new ATOM 0 H3 GLY A 1 -11.282 23.437 -19.431 1.00 62.32 H new ATOM 0 HA2 GLY A 1 -11.540 23.763 -16.575 1.00 50.11 H new ATOM 0 HA3 GLY A 1 -12.661 24.182 -17.856 1.00 50.11 H new ATOM 8 N CYS A 2 -14.128 22.211 -17.195 1.00 23.23 N ATOM 9 CA CYS A 2 -15.121 21.236 -16.712 1.00 54.23 C ATOM 10 C CYS A 2 -14.981 20.754 -15.257 1.00 44.32 C ATOM 11 O CYS A 2 -15.911 20.176 -14.691 1.00 70.32 O ATOM 12 CB CYS A 2 -15.380 20.105 -17.721 1.00 41.42 C ATOM 13 SG CYS A 2 -13.999 18.950 -17.985 1.00 71.25 S ATOM 0 H CYS A 2 -14.592 23.043 -17.558 1.00 23.23 H new ATOM 0 HA CYS A 2 -16.034 21.828 -16.653 1.00 54.23 H new ATOM 0 HB2 CYS A 2 -16.247 19.535 -17.385 1.00 41.42 H new ATOM 0 HB3 CYS A 2 -15.644 20.552 -18.680 1.00 41.42 H new ATOM 0 HG CYS A 2 -12.880 19.531 -17.667 1.00 71.25 H new ATOM 19 N GLU A 3 -13.855 21.006 -14.607 1.00 5.43 N ATOM 20 CA GLU A 3 -13.669 20.973 -13.161 1.00 2.22 C ATOM 21 C GLU A 3 -14.218 22.270 -12.553 1.00 21.34 C ATOM 22 O GLU A 3 -14.181 23.318 -13.209 1.00 45.42 O ATOM 23 CB GLU A 3 -12.169 20.807 -12.844 1.00 65.52 C ATOM 24 CG GLU A 3 -11.258 21.685 -13.714 1.00 44.44 C ATOM 25 CD GLU A 3 -9.785 21.686 -13.306 1.00 32.11 C ATOM 26 OE1 GLU A 3 -9.447 22.200 -12.221 1.00 1.10 O ATOM 27 OE2 GLU A 3 -8.940 21.405 -14.195 1.00 62.52 O ATOM 0 H GLU A 3 -12.997 21.253 -15.101 1.00 5.43 H new ATOM 0 HA GLU A 3 -14.209 20.130 -12.729 1.00 2.22 H new ATOM 0 HB2 GLU A 3 -11.999 21.048 -11.795 1.00 65.52 H new ATOM 0 HB3 GLU A 3 -11.891 19.762 -12.980 1.00 65.52 H new ATOM 0 HG2 GLU A 3 -11.333 21.349 -14.748 1.00 44.44 H new ATOM 0 HG3 GLU A 3 -11.629 22.710 -13.684 1.00 44.44 H new ATOM 34 N LEU A 4 -14.694 22.218 -11.304 1.00 43.02 N ATOM 35 CA LEU A 4 -14.896 23.360 -10.406 1.00 24.41 C ATOM 36 C LEU A 4 -14.586 22.864 -8.997 1.00 52.25 C ATOM 37 O LEU A 4 -14.873 21.704 -8.692 1.00 33.53 O ATOM 38 CB LEU A 4 -16.335 23.923 -10.399 1.00 44.05 C ATOM 39 CG LEU A 4 -16.792 24.617 -11.700 1.00 10.30 C ATOM 40 CD1 LEU A 4 -17.585 23.658 -12.599 1.00 11.21 C ATOM 41 CD2 LEU A 4 -17.661 25.845 -11.393 1.00 64.53 C ATOM 0 H LEU A 4 -14.962 21.334 -10.871 1.00 43.02 H new ATOM 0 HA LEU A 4 -14.251 24.168 -10.751 1.00 24.41 H new ATOM 0 HB2 LEU A 4 -17.024 23.106 -10.185 1.00 44.05 H new ATOM 0 HB3 LEU A 4 -16.422 24.636 -9.579 1.00 44.05 H new ATOM 0 HG LEU A 4 -15.890 24.932 -12.224 1.00 10.30 H new ATOM 0 HD11 LEU A 4 -17.891 24.179 -13.506 1.00 11.21 H new ATOM 0 HD12 LEU A 4 -16.959 22.806 -12.864 1.00 11.21 H new ATOM 0 HD13 LEU A 4 -18.469 23.307 -12.066 1.00 11.21 H new ATOM 0 HD21 LEU A 4 -17.969 26.315 -12.327 1.00 64.53 H new ATOM 0 HD22 LEU A 4 -18.544 25.535 -10.834 1.00 64.53 H new ATOM 0 HD23 LEU A 4 -17.088 26.558 -10.800 1.00 64.53 H new ATOM 53 N SER A 5 -14.042 23.728 -8.143 1.00 52.11 N ATOM 54 CA SER A 5 -13.660 23.399 -6.772 1.00 11.14 C ATOM 55 C SER A 5 -13.841 24.642 -5.904 1.00 13.02 C ATOM 56 O SER A 5 -13.963 25.753 -6.438 1.00 2.14 O ATOM 57 CB SER A 5 -12.199 22.926 -6.737 1.00 3.04 C ATOM 58 OG SER A 5 -11.964 21.953 -7.740 1.00 30.33 O ATOM 0 H SER A 5 -13.850 24.699 -8.391 1.00 52.11 H new ATOM 0 HA SER A 5 -14.288 22.594 -6.390 1.00 11.14 H new ATOM 0 HB2 SER A 5 -11.533 23.776 -6.884 1.00 3.04 H new ATOM 0 HB3 SER A 5 -11.970 22.508 -5.757 1.00 3.04 H new ATOM 0 HG SER A 5 -11.028 21.665 -7.703 1.00 30.33 H new ATOM 64 N ASP A 6 -13.837 24.479 -4.584 1.00 51.23 N ATOM 65 CA ASP A 6 -13.802 25.604 -3.653 1.00 23.33 C ATOM 66 C ASP A 6 -12.430 26.267 -3.774 1.00 64.13 C ATOM 67 O ASP A 6 -11.431 25.555 -3.920 1.00 32.20 O ATOM 68 CB ASP A 6 -13.985 25.144 -2.202 1.00 31.40 C ATOM 69 CG ASP A 6 -15.340 24.498 -1.957 1.00 25.41 C ATOM 70 OD1 ASP A 6 -16.310 25.204 -1.606 1.00 33.20 O ATOM 71 OD2 ASP A 6 -15.414 23.257 -2.100 1.00 73.14 O ATOM 0 H ASP A 6 -13.858 23.566 -4.130 1.00 51.23 H new ATOM 0 HA ASP A 6 -14.613 26.289 -3.900 1.00 23.33 H new ATOM 0 HB2 ASP A 6 -13.198 24.434 -1.948 1.00 31.40 H new ATOM 0 HB3 ASP A 6 -13.869 26.000 -1.537 1.00 31.40 H new ATOM 76 N PRO A 7 -12.331 27.601 -3.649 1.00 2.23 N ATOM 77 CA PRO A 7 -11.089 28.310 -3.931 1.00 4.43 C ATOM 78 C PRO A 7 -9.961 27.932 -2.970 1.00 22.50 C ATOM 79 O PRO A 7 -8.799 27.918 -3.378 1.00 5.34 O ATOM 80 CB PRO A 7 -11.424 29.799 -3.830 1.00 45.44 C ATOM 81 CG PRO A 7 -12.707 29.851 -3.001 1.00 54.14 C ATOM 82 CD PRO A 7 -13.402 28.535 -3.342 1.00 14.12 C ATOM 0 HA PRO A 7 -10.717 28.043 -4.920 1.00 4.43 H new ATOM 0 HB2 PRO A 7 -10.619 30.355 -3.349 1.00 45.44 H new ATOM 0 HB3 PRO A 7 -11.571 30.240 -4.816 1.00 45.44 H new ATOM 0 HG2 PRO A 7 -12.494 29.928 -1.935 1.00 54.14 H new ATOM 0 HG3 PRO A 7 -13.322 30.711 -3.266 1.00 54.14 H new ATOM 0 HD2 PRO A 7 -14.005 28.181 -2.506 1.00 14.12 H new ATOM 0 HD3 PRO A 7 -14.075 28.654 -4.191 1.00 14.12 H new ATOM 90 N ASP A 8 -10.288 27.614 -1.715 1.00 52.24 N ATOM 91 CA ASP A 8 -9.346 27.127 -0.714 1.00 62.14 C ATOM 92 C ASP A 8 -10.035 25.984 0.020 1.00 1.32 C ATOM 93 O ASP A 8 -10.318 26.060 1.221 1.00 73.13 O ATOM 94 CB ASP A 8 -8.873 28.251 0.225 1.00 44.12 C ATOM 95 CG ASP A 8 -7.748 29.067 -0.401 1.00 2.43 C ATOM 96 OD1 ASP A 8 -6.652 28.494 -0.595 1.00 12.04 O ATOM 97 OD2 ASP A 8 -7.970 30.259 -0.695 1.00 44.34 O ATOM 0 H ASP A 8 -11.242 27.692 -1.361 1.00 52.24 H new ATOM 0 HA ASP A 8 -8.431 26.764 -1.183 1.00 62.14 H new ATOM 0 HB2 ASP A 8 -9.711 28.906 0.460 1.00 44.12 H new ATOM 0 HB3 ASP A 8 -8.531 27.820 1.166 1.00 44.12 H new ATOM 102 N GLY A 9 -10.381 24.948 -0.739 1.00 65.55 N ATOM 103 CA GLY A 9 -10.975 23.725 -0.219 1.00 42.15 C ATOM 104 C GLY A 9 -10.626 22.527 -1.092 1.00 42.44 C ATOM 105 O GLY A 9 -11.520 21.802 -1.531 1.00 31.13 O ATOM 0 H GLY A 9 -10.253 24.937 -1.751 1.00 65.55 H new ATOM 0 HA2 GLY A 9 -10.624 23.551 0.798 1.00 42.15 H new ATOM 0 HA3 GLY A 9 -12.058 23.837 -0.168 1.00 42.15 H new ATOM 109 N LEU A 10 -9.334 22.333 -1.368 1.00 5.02 N ATOM 110 CA LEU A 10 -8.759 21.224 -2.107 1.00 23.30 C ATOM 111 C LEU A 10 -7.938 20.344 -1.143 1.00 43.14 C ATOM 112 O LEU A 10 -7.796 20.670 0.045 1.00 25.41 O ATOM 113 CB LEU A 10 -7.927 21.715 -3.304 1.00 50.44 C ATOM 114 CG LEU A 10 -6.984 22.902 -3.048 1.00 65.31 C ATOM 115 CD1 LEU A 10 -5.700 22.784 -3.875 1.00 50.03 C ATOM 116 CD2 LEU A 10 -7.733 24.192 -3.395 1.00 14.20 C ATOM 0 H LEU A 10 -8.622 22.994 -1.058 1.00 5.02 H new ATOM 0 HA LEU A 10 -9.560 20.617 -2.529 1.00 23.30 H new ATOM 0 HB2 LEU A 10 -7.331 20.879 -3.670 1.00 50.44 H new ATOM 0 HB3 LEU A 10 -8.613 21.992 -4.105 1.00 50.44 H new ATOM 0 HG LEU A 10 -6.687 22.910 -1.999 1.00 65.31 H new ATOM 0 HD11 LEU A 10 -5.056 23.639 -3.670 1.00 50.03 H new ATOM 0 HD12 LEU A 10 -5.179 21.865 -3.608 1.00 50.03 H new ATOM 0 HD13 LEU A 10 -5.951 22.764 -4.936 1.00 50.03 H new ATOM 0 HD21 LEU A 10 -7.082 25.049 -3.221 1.00 14.20 H new ATOM 0 HD22 LEU A 10 -8.030 24.169 -4.443 1.00 14.20 H new ATOM 0 HD23 LEU A 10 -8.621 24.277 -2.768 1.00 14.20 H new ATOM 128 N ALA A 11 -7.377 19.237 -1.636 1.00 3.42 N ATOM 129 CA ALA A 11 -6.599 18.280 -0.861 1.00 65.15 C ATOM 130 C ALA A 11 -5.207 18.148 -1.470 1.00 23.43 C ATOM 131 O ALA A 11 -5.055 17.648 -2.583 1.00 62.32 O ATOM 132 CB ALA A 11 -7.326 16.938 -0.821 1.00 64.35 C ATOM 0 H ALA A 11 -7.457 18.978 -2.619 1.00 3.42 H new ATOM 0 HA ALA A 11 -6.488 18.630 0.165 1.00 65.15 H new ATOM 0 HB1 ALA A 11 -6.741 16.225 -0.240 1.00 64.35 H new ATOM 0 HB2 ALA A 11 -8.304 17.068 -0.358 1.00 64.35 H new ATOM 0 HB3 ALA A 11 -7.453 16.562 -1.836 1.00 64.35 H new ATOM 138 N ASP A 12 -4.185 18.598 -0.742 1.00 74.23 N ATOM 139 CA ASP A 12 -2.779 18.408 -1.107 1.00 51.24 C ATOM 140 C ASP A 12 -2.469 16.902 -1.177 1.00 70.15 C ATOM 141 O ASP A 12 -3.144 16.120 -0.496 1.00 72.34 O ATOM 142 CB ASP A 12 -1.883 19.097 -0.059 1.00 62.53 C ATOM 143 CG ASP A 12 -0.873 20.093 -0.605 1.00 25.54 C ATOM 144 OD1 ASP A 12 -1.220 21.022 -1.368 1.00 61.53 O ATOM 145 OD2 ASP A 12 0.284 20.019 -0.128 1.00 33.43 O ATOM 0 H ASP A 12 -4.311 19.112 0.130 1.00 74.23 H new ATOM 0 HA ASP A 12 -2.583 18.852 -2.083 1.00 51.24 H new ATOM 0 HB2 ASP A 12 -2.524 19.613 0.656 1.00 62.53 H new ATOM 0 HB3 ASP A 12 -1.344 18.327 0.493 1.00 62.53 H new ATOM 150 N PRO A 13 -1.437 16.447 -1.907 1.00 65.54 N ATOM 151 CA PRO A 13 -1.055 15.034 -1.903 1.00 1.42 C ATOM 152 C PRO A 13 -0.557 14.617 -0.516 1.00 23.40 C ATOM 153 O PRO A 13 0.032 15.434 0.204 1.00 53.13 O ATOM 154 CB PRO A 13 0.017 14.886 -2.986 1.00 13.24 C ATOM 155 CG PRO A 13 0.611 16.291 -3.094 1.00 44.03 C ATOM 156 CD PRO A 13 -0.564 17.215 -2.777 1.00 11.02 C ATOM 0 HA PRO A 13 -1.897 14.377 -2.118 1.00 1.42 H new ATOM 0 HB2 PRO A 13 0.772 14.151 -2.706 1.00 13.24 H new ATOM 0 HB3 PRO A 13 -0.412 14.557 -3.933 1.00 13.24 H new ATOM 0 HG2 PRO A 13 1.431 16.433 -2.390 1.00 44.03 H new ATOM 0 HG3 PRO A 13 1.010 16.480 -4.091 1.00 44.03 H new ATOM 0 HD2 PRO A 13 -0.225 18.127 -2.286 1.00 11.02 H new ATOM 0 HD3 PRO A 13 -1.083 17.516 -3.687 1.00 11.02 H new ATOM 164 N MET A 14 -0.802 13.366 -0.118 1.00 23.32 N ATOM 165 CA MET A 14 -0.259 12.843 1.133 1.00 11.13 C ATOM 166 C MET A 14 1.253 12.744 1.003 1.00 50.25 C ATOM 167 O MET A 14 1.772 12.426 -0.071 1.00 2.04 O ATOM 168 CB MET A 14 -0.828 11.469 1.520 1.00 42.43 C ATOM 169 CG MET A 14 -2.350 11.349 1.417 1.00 22.42 C ATOM 170 SD MET A 14 -3.082 9.879 2.194 1.00 23.14 S ATOM 171 CE MET A 14 -2.203 9.836 3.777 1.00 44.42 C ATOM 0 H MET A 14 -1.370 12.701 -0.643 1.00 23.32 H new ATOM 0 HA MET A 14 -0.549 13.533 1.925 1.00 11.13 H new ATOM 0 HB2 MET A 14 -0.374 10.711 0.881 1.00 42.43 H new ATOM 0 HB3 MET A 14 -0.529 11.243 2.544 1.00 42.43 H new ATOM 0 HG2 MET A 14 -2.797 12.235 1.868 1.00 22.42 H new ATOM 0 HG3 MET A 14 -2.625 11.354 0.362 1.00 22.42 H new ATOM 0 HE1 MET A 14 -2.749 9.207 4.480 1.00 44.42 H new ATOM 0 HE2 MET A 14 -1.203 9.429 3.627 1.00 44.42 H new ATOM 0 HE3 MET A 14 -2.127 10.847 4.178 1.00 44.42 H new ATOM 181 N LYS A 15 1.968 13.028 2.092 1.00 32.33 N ATOM 182 CA LYS A 15 3.412 13.168 2.060 1.00 52.43 C ATOM 183 C LYS A 15 4.092 12.401 3.163 1.00 24.12 C ATOM 184 O LYS A 15 3.757 12.402 4.352 1.00 44.12 O ATOM 185 CB LYS A 15 3.787 14.641 2.135 1.00 71.55 C ATOM 186 CG LYS A 15 4.116 15.214 0.753 1.00 42.41 C ATOM 187 CD LYS A 15 3.899 16.731 0.695 1.00 54.25 C ATOM 188 CE LYS A 15 4.592 17.482 1.840 1.00 42.24 C ATOM 189 NZ LYS A 15 4.168 18.890 1.921 1.00 73.52 N ATOM 0 H LYS A 15 1.558 13.166 3.016 1.00 32.33 H new ATOM 0 HA LYS A 15 3.760 12.744 1.118 1.00 52.43 H new ATOM 0 HB2 LYS A 15 2.964 15.204 2.576 1.00 71.55 H new ATOM 0 HB3 LYS A 15 4.646 14.764 2.794 1.00 71.55 H new ATOM 0 HG2 LYS A 15 5.152 14.986 0.503 1.00 42.41 H new ATOM 0 HG3 LYS A 15 3.493 14.729 0.002 1.00 42.41 H new ATOM 0 HD2 LYS A 15 4.271 17.109 -0.257 1.00 54.25 H new ATOM 0 HD3 LYS A 15 2.830 16.941 0.726 1.00 54.25 H new ATOM 0 HE2 LYS A 15 4.372 16.984 2.784 1.00 42.24 H new ATOM 0 HE3 LYS A 15 5.672 17.437 1.700 1.00 42.24 H new ATOM 0 HZ1 LYS A 15 4.662 19.357 2.708 1.00 73.52 H new ATOM 0 HZ2 LYS A 15 4.401 19.374 1.031 1.00 73.52 H new ATOM 0 HZ3 LYS A 15 3.141 18.935 2.081 1.00 73.52 H new ATOM 203 N TRP A 16 5.233 11.920 2.720 1.00 73.21 N ATOM 204 CA TRP A 16 5.981 10.839 3.316 1.00 42.24 C ATOM 205 C TRP A 16 7.429 11.295 3.492 1.00 3.14 C ATOM 206 O TRP A 16 7.986 11.933 2.595 1.00 13.20 O ATOM 207 CB TRP A 16 5.817 9.594 2.429 1.00 21.13 C ATOM 208 CG TRP A 16 4.397 9.178 2.111 1.00 4.43 C ATOM 209 CD1 TRP A 16 3.653 9.585 1.054 1.00 10.31 C ATOM 210 CD2 TRP A 16 3.532 8.269 2.854 1.00 52.03 C ATOM 211 NE1 TRP A 16 2.395 9.011 1.105 1.00 25.22 N ATOM 212 CE2 TRP A 16 2.253 8.209 2.217 1.00 51.14 C ATOM 213 CE3 TRP A 16 3.713 7.489 4.011 1.00 22.43 C ATOM 214 CZ2 TRP A 16 1.192 7.450 2.742 1.00 41.12 C ATOM 215 CZ3 TRP A 16 2.665 6.715 4.537 1.00 32.43 C ATOM 216 CH2 TRP A 16 1.411 6.707 3.909 1.00 45.15 C ATOM 0 H TRP A 16 5.687 12.295 1.887 1.00 73.21 H new ATOM 0 HA TRP A 16 5.616 10.570 4.307 1.00 42.24 H new ATOM 0 HB2 TRP A 16 6.340 9.773 1.489 1.00 21.13 H new ATOM 0 HB3 TRP A 16 6.317 8.758 2.918 1.00 21.13 H new ATOM 0 HD1 TRP A 16 3.993 10.260 0.283 1.00 10.31 H new ATOM 0 HE1 TRP A 16 1.666 9.162 0.408 1.00 25.22 H new ATOM 0 HE3 TRP A 16 4.674 7.485 4.503 1.00 22.43 H new ATOM 0 HZ2 TRP A 16 0.228 7.440 2.255 1.00 41.12 H new ATOM 0 HZ3 TRP A 16 2.825 6.125 5.427 1.00 32.43 H new ATOM 0 HH2 TRP A 16 0.606 6.122 4.329 1.00 45.15 H new ATOM 227 N SER A 17 8.023 11.048 4.663 1.00 52.32 N ATOM 228 CA SER A 17 9.456 11.213 4.917 1.00 70.43 C ATOM 229 C SER A 17 10.236 9.960 4.495 1.00 73.14 C ATOM 230 O SER A 17 11.369 10.073 4.022 1.00 41.31 O ATOM 231 CB SER A 17 9.659 11.561 6.397 1.00 53.43 C ATOM 232 OG SER A 17 11.017 11.608 6.777 1.00 70.11 O ATOM 0 H SER A 17 7.508 10.720 5.480 1.00 52.32 H new ATOM 0 HA SER A 17 9.850 12.032 4.315 1.00 70.43 H new ATOM 0 HB2 SER A 17 9.197 12.527 6.603 1.00 53.43 H new ATOM 0 HB3 SER A 17 9.142 10.823 7.011 1.00 53.43 H new ATOM 0 HG SER A 17 11.083 11.835 7.728 1.00 70.11 H new ATOM 238 N LYS A 18 9.649 8.764 4.611 1.00 63.34 N ATOM 239 CA LYS A 18 10.281 7.505 4.216 1.00 30.12 C ATOM 240 C LYS A 18 9.371 6.843 3.201 1.00 70.33 C ATOM 241 O LYS A 18 8.183 6.714 3.486 1.00 32.40 O ATOM 242 CB LYS A 18 10.484 6.581 5.435 1.00 70.52 C ATOM 243 CG LYS A 18 11.947 6.252 5.731 1.00 32.23 C ATOM 244 CD LYS A 18 12.746 7.406 6.362 1.00 3.43 C ATOM 245 CE LYS A 18 13.573 8.223 5.366 1.00 2.11 C ATOM 246 NZ LYS A 18 14.606 7.419 4.678 1.00 41.15 N ATOM 0 H LYS A 18 8.709 8.644 4.987 1.00 63.34 H new ATOM 0 HA LYS A 18 11.266 7.696 3.790 1.00 30.12 H new ATOM 0 HB2 LYS A 18 10.044 7.054 6.313 1.00 70.52 H new ATOM 0 HB3 LYS A 18 9.940 5.651 5.267 1.00 70.52 H new ATOM 0 HG2 LYS A 18 11.985 5.392 6.400 1.00 32.23 H new ATOM 0 HG3 LYS A 18 12.434 5.955 4.802 1.00 32.23 H new ATOM 0 HD2 LYS A 18 12.053 8.074 6.874 1.00 3.43 H new ATOM 0 HD3 LYS A 18 13.414 6.997 7.120 1.00 3.43 H new ATOM 0 HE2 LYS A 18 12.907 8.662 4.623 1.00 2.11 H new ATOM 0 HE3 LYS A 18 14.053 9.049 5.891 1.00 2.11 H new ATOM 0 HZ1 LYS A 18 15.344 8.049 4.305 1.00 41.15 H new ATOM 0 HZ2 LYS A 18 15.030 6.749 5.351 1.00 41.15 H new ATOM 0 HZ3 LYS A 18 14.171 6.893 3.894 1.00 41.15 H new ATOM 260 N VAL A 19 9.935 6.416 2.074 1.00 31.24 N ATOM 261 CA VAL A 19 9.316 5.551 1.074 1.00 53.45 C ATOM 262 C VAL A 19 10.401 4.609 0.520 1.00 30.40 C ATOM 263 O VAL A 19 11.598 4.910 0.656 1.00 72.33 O ATOM 264 CB VAL A 19 8.644 6.395 -0.039 1.00 71.35 C ATOM 265 CG1 VAL A 19 7.479 7.221 0.508 1.00 61.55 C ATOM 266 CG2 VAL A 19 9.590 7.384 -0.738 1.00 23.52 C ATOM 0 H VAL A 19 10.887 6.679 1.821 1.00 31.24 H new ATOM 0 HA VAL A 19 8.523 4.952 1.522 1.00 53.45 H new ATOM 0 HB VAL A 19 8.310 5.651 -0.762 1.00 71.35 H new ATOM 0 HG11 VAL A 19 7.032 7.800 -0.300 1.00 61.55 H new ATOM 0 HG12 VAL A 19 6.729 6.555 0.935 1.00 61.55 H new ATOM 0 HG13 VAL A 19 7.844 7.898 1.280 1.00 61.55 H new ATOM 0 HG21 VAL A 19 9.041 7.934 -1.502 1.00 23.52 H new ATOM 0 HG22 VAL A 19 9.991 8.084 -0.005 1.00 23.52 H new ATOM 0 HG23 VAL A 19 10.410 6.836 -1.203 1.00 23.52 H new ATOM 276 N PRO A 20 10.030 3.464 -0.072 1.00 30.33 N ATOM 277 CA PRO A 20 10.901 2.612 -0.873 1.00 53.23 C ATOM 278 C PRO A 20 11.129 3.193 -2.268 1.00 4.02 C ATOM 279 O PRO A 20 10.194 3.672 -2.909 1.00 3.43 O ATOM 280 CB PRO A 20 10.158 1.281 -1.006 1.00 2.34 C ATOM 281 CG PRO A 20 8.696 1.690 -0.906 1.00 24.20 C ATOM 282 CD PRO A 20 8.715 2.872 0.046 1.00 65.21 C ATOM 0 HA PRO A 20 11.879 2.513 -0.401 1.00 53.23 H new ATOM 0 HB2 PRO A 20 10.375 0.791 -1.955 1.00 2.34 H new ATOM 0 HB3 PRO A 20 10.436 0.583 -0.216 1.00 2.34 H new ATOM 0 HG2 PRO A 20 8.291 1.967 -1.879 1.00 24.20 H new ATOM 0 HG3 PRO A 20 8.079 0.878 -0.523 1.00 24.20 H new ATOM 0 HD2 PRO A 20 7.939 3.593 -0.212 1.00 65.21 H new ATOM 0 HD3 PRO A 20 8.523 2.551 1.070 1.00 65.21 H new ATOM 290 N SER A 21 12.344 3.026 -2.791 1.00 32.14 N ATOM 291 CA SER A 21 12.670 3.397 -4.165 1.00 4.31 C ATOM 292 C SER A 21 11.921 2.573 -5.232 1.00 31.23 C ATOM 293 O SER A 21 11.911 2.954 -6.400 1.00 52.13 O ATOM 294 CB SER A 21 14.176 3.251 -4.371 1.00 1.33 C ATOM 295 OG SER A 21 14.924 4.026 -3.438 1.00 11.40 O ATOM 0 H SER A 21 13.128 2.630 -2.273 1.00 32.14 H new ATOM 0 HA SER A 21 12.346 4.429 -4.298 1.00 4.31 H new ATOM 0 HB2 SER A 21 14.454 2.202 -4.275 1.00 1.33 H new ATOM 0 HB3 SER A 21 14.434 3.557 -5.385 1.00 1.33 H new ATOM 0 HG SER A 21 15.882 3.902 -3.604 1.00 11.40 H new ATOM 301 N GLY A 22 11.295 1.446 -4.868 1.00 61.34 N ATOM 302 CA GLY A 22 10.505 0.629 -5.792 1.00 44.15 C ATOM 303 C GLY A 22 9.141 1.238 -6.134 1.00 53.42 C ATOM 304 O GLY A 22 8.455 0.741 -7.031 1.00 22.54 O ATOM 0 H GLY A 22 11.324 1.075 -3.918 1.00 61.34 H new ATOM 0 HA2 GLY A 22 11.071 0.486 -6.712 1.00 44.15 H new ATOM 0 HA3 GLY A 22 10.354 -0.358 -5.354 1.00 44.15 H new ATOM 308 N LEU A 23 8.719 2.291 -5.425 1.00 23.41 N ATOM 309 CA LEU A 23 7.544 3.091 -5.733 1.00 15.40 C ATOM 310 C LEU A 23 7.709 3.780 -7.081 1.00 35.42 C ATOM 311 O LEU A 23 8.724 4.422 -7.348 1.00 72.12 O ATOM 312 CB LEU A 23 7.326 4.134 -4.622 1.00 11.41 C ATOM 313 CG LEU A 23 6.082 5.026 -4.848 1.00 33.42 C ATOM 314 CD1 LEU A 23 5.459 5.390 -3.504 1.00 33.30 C ATOM 315 CD2 LEU A 23 6.382 6.344 -5.580 1.00 45.24 C ATOM 0 H LEU A 23 9.209 2.616 -4.592 1.00 23.41 H new ATOM 0 HA LEU A 23 6.673 2.439 -5.787 1.00 15.40 H new ATOM 0 HB2 LEU A 23 7.226 3.620 -3.666 1.00 11.41 H new ATOM 0 HB3 LEU A 23 8.210 4.768 -4.551 1.00 11.41 H new ATOM 0 HG LEU A 23 5.412 4.436 -5.473 1.00 33.42 H new ATOM 0 HD11 LEU A 23 4.583 6.018 -3.667 1.00 33.30 H new ATOM 0 HD12 LEU A 23 5.161 4.480 -2.983 1.00 33.30 H new ATOM 0 HD13 LEU A 23 6.187 5.932 -2.900 1.00 33.30 H new ATOM 0 HD21 LEU A 23 5.459 6.912 -5.700 1.00 45.24 H new ATOM 0 HD22 LEU A 23 7.095 6.929 -4.999 1.00 45.24 H new ATOM 0 HD23 LEU A 23 6.804 6.127 -6.561 1.00 45.24 H new ATOM 327 N LYS A 24 6.669 3.718 -7.901 1.00 53.13 N ATOM 328 CA LYS A 24 6.529 4.497 -9.125 1.00 33.13 C ATOM 329 C LYS A 24 5.082 4.948 -9.205 1.00 35.23 C ATOM 330 O LYS A 24 4.220 4.161 -9.578 1.00 13.04 O ATOM 331 CB LYS A 24 6.955 3.640 -10.320 1.00 32.20 C ATOM 332 CG LYS A 24 6.990 4.416 -11.643 1.00 60.52 C ATOM 333 CD LYS A 24 7.715 3.616 -12.740 1.00 73.32 C ATOM 334 CE LYS A 24 9.200 3.973 -12.946 1.00 11.12 C ATOM 335 NZ LYS A 24 10.037 3.874 -11.733 1.00 3.41 N ATOM 0 H LYS A 24 5.873 3.104 -7.727 1.00 53.13 H new ATOM 0 HA LYS A 24 7.170 5.379 -9.132 1.00 33.13 H new ATOM 0 HB2 LYS A 24 7.943 3.223 -10.125 1.00 32.20 H new ATOM 0 HB3 LYS A 24 6.268 2.799 -10.418 1.00 32.20 H new ATOM 0 HG2 LYS A 24 5.972 4.638 -11.964 1.00 60.52 H new ATOM 0 HG3 LYS A 24 7.493 5.371 -11.494 1.00 60.52 H new ATOM 0 HD2 LYS A 24 7.644 2.555 -12.500 1.00 73.32 H new ATOM 0 HD3 LYS A 24 7.189 3.765 -13.683 1.00 73.32 H new ATOM 0 HE2 LYS A 24 9.614 3.315 -13.710 1.00 11.12 H new ATOM 0 HE3 LYS A 24 9.264 4.990 -13.332 1.00 11.12 H new ATOM 0 HZ1 LYS A 24 11.017 4.132 -11.966 1.00 3.41 H new ATOM 0 HZ2 LYS A 24 9.672 4.522 -11.006 1.00 3.41 H new ATOM 0 HZ3 LYS A 24 10.012 2.899 -11.372 1.00 3.41 H new ATOM 349 N ASN A 25 4.804 6.182 -8.773 1.00 0.10 N ATOM 350 CA ASN A 25 3.458 6.751 -8.659 1.00 21.44 C ATOM 351 C ASN A 25 2.494 5.760 -7.988 1.00 34.12 C ATOM 352 O ASN A 25 1.463 5.376 -8.546 1.00 51.14 O ATOM 353 CB ASN A 25 2.970 7.244 -10.027 1.00 12.21 C ATOM 354 CG ASN A 25 1.907 8.326 -9.880 1.00 63.12 C ATOM 355 OD1 ASN A 25 2.122 9.294 -9.157 1.00 24.33 O ATOM 356 ND2 ASN A 25 0.779 8.221 -10.554 1.00 35.44 N ATOM 0 H ASN A 25 5.534 6.833 -8.484 1.00 0.10 H new ATOM 0 HA ASN A 25 3.491 7.623 -8.006 1.00 21.44 H new ATOM 0 HB2 ASN A 25 3.813 7.635 -10.597 1.00 12.21 H new ATOM 0 HB3 ASN A 25 2.563 6.406 -10.594 1.00 12.21 H new ATOM 0 HD21 ASN A 25 0.070 8.951 -10.479 1.00 35.44 H new ATOM 0 HD22 ASN A 25 0.615 7.410 -11.151 1.00 35.44 H new ATOM 363 N GLY A 26 2.905 5.264 -6.818 1.00 60.14 N ATOM 364 CA GLY A 26 2.151 4.318 -6.006 1.00 34.24 C ATOM 365 C GLY A 26 2.109 2.898 -6.567 1.00 15.31 C ATOM 366 O GLY A 26 1.591 2.024 -5.881 1.00 55.21 O ATOM 0 H GLY A 26 3.800 5.520 -6.401 1.00 60.14 H new ATOM 0 HA2 GLY A 26 2.586 4.288 -5.007 1.00 34.24 H new ATOM 0 HA3 GLY A 26 1.130 4.683 -5.898 1.00 34.24 H new ATOM 370 N GLU A 27 2.642 2.612 -7.760 1.00 75.33 N ATOM 371 CA GLU A 27 2.774 1.237 -8.228 1.00 4.01 C ATOM 372 C GLU A 27 4.098 0.680 -7.696 1.00 75.25 C ATOM 373 O GLU A 27 5.164 1.250 -7.944 1.00 20.53 O ATOM 374 CB GLU A 27 2.680 1.137 -9.757 1.00 73.41 C ATOM 375 CG GLU A 27 2.085 -0.236 -10.113 1.00 2.31 C ATOM 376 CD GLU A 27 2.218 -0.621 -11.589 1.00 74.12 C ATOM 377 OE1 GLU A 27 3.289 -0.409 -12.208 1.00 35.13 O ATOM 378 OE2 GLU A 27 1.280 -1.262 -12.117 1.00 51.33 O ATOM 0 H GLU A 27 2.987 3.315 -8.414 1.00 75.33 H new ATOM 0 HA GLU A 27 1.946 0.640 -7.847 1.00 4.01 H new ATOM 0 HB2 GLU A 27 2.054 1.937 -10.152 1.00 73.41 H new ATOM 0 HB3 GLU A 27 3.666 1.252 -10.207 1.00 73.41 H new ATOM 0 HG2 GLU A 27 2.574 -0.998 -9.506 1.00 2.31 H new ATOM 0 HG3 GLU A 27 1.029 -0.242 -9.843 1.00 2.31 H new ATOM 385 N LEU A 28 4.044 -0.411 -6.933 1.00 21.42 N ATOM 386 CA LEU A 28 5.171 -0.976 -6.192 1.00 71.25 C ATOM 387 C LEU A 28 5.512 -2.323 -6.816 1.00 54.13 C ATOM 388 O LEU A 28 4.821 -3.316 -6.566 1.00 43.31 O ATOM 389 CB LEU A 28 4.818 -1.141 -4.698 1.00 1.13 C ATOM 390 CG LEU A 28 5.048 0.080 -3.786 1.00 75.41 C ATOM 391 CD1 LEU A 28 6.539 0.319 -3.555 1.00 32.53 C ATOM 392 CD2 LEU A 28 4.375 1.357 -4.290 1.00 60.15 C ATOM 0 H LEU A 28 3.184 -0.945 -6.809 1.00 21.42 H new ATOM 0 HA LEU A 28 6.029 -0.307 -6.249 1.00 71.25 H new ATOM 0 HB2 LEU A 28 3.768 -1.424 -4.627 1.00 1.13 H new ATOM 0 HB3 LEU A 28 5.400 -1.974 -4.302 1.00 1.13 H new ATOM 0 HG LEU A 28 4.572 -0.166 -2.837 1.00 75.41 H new ATOM 0 HD11 LEU A 28 6.673 1.186 -2.908 1.00 32.53 H new ATOM 0 HD12 LEU A 28 6.979 -0.558 -3.081 1.00 32.53 H new ATOM 0 HD13 LEU A 28 7.031 0.500 -4.511 1.00 32.53 H new ATOM 0 HD21 LEU A 28 4.580 2.174 -3.598 1.00 60.15 H new ATOM 0 HD22 LEU A 28 4.766 1.610 -5.276 1.00 60.15 H new ATOM 0 HD23 LEU A 28 3.299 1.199 -4.356 1.00 60.15 H new ATOM 404 N LYS A 29 6.551 -2.372 -7.650 1.00 3.03 N ATOM 405 CA LYS A 29 6.961 -3.643 -8.254 1.00 73.45 C ATOM 406 C LYS A 29 7.693 -4.467 -7.194 1.00 51.22 C ATOM 407 O LYS A 29 8.410 -3.905 -6.368 1.00 2.31 O ATOM 408 CB LYS A 29 7.819 -3.400 -9.513 1.00 44.14 C ATOM 409 CG LYS A 29 8.010 -4.666 -10.373 1.00 75.25 C ATOM 410 CD LYS A 29 6.750 -5.054 -11.165 1.00 34.20 C ATOM 411 CE LYS A 29 6.736 -6.524 -11.605 1.00 11.33 C ATOM 412 NZ LYS A 29 7.575 -6.796 -12.790 1.00 15.00 N ATOM 0 H LYS A 29 7.115 -1.566 -7.920 1.00 3.03 H new ATOM 0 HA LYS A 29 6.088 -4.204 -8.588 1.00 73.45 H new ATOM 0 HB2 LYS A 29 7.351 -2.624 -10.119 1.00 44.14 H new ATOM 0 HB3 LYS A 29 8.796 -3.023 -9.211 1.00 44.14 H new ATOM 0 HG2 LYS A 29 8.834 -4.504 -11.069 1.00 75.25 H new ATOM 0 HG3 LYS A 29 8.296 -5.496 -9.728 1.00 75.25 H new ATOM 0 HD2 LYS A 29 5.870 -4.857 -10.553 1.00 34.20 H new ATOM 0 HD3 LYS A 29 6.674 -4.418 -12.047 1.00 34.20 H new ATOM 0 HE2 LYS A 29 7.079 -7.145 -10.778 1.00 11.33 H new ATOM 0 HE3 LYS A 29 5.709 -6.820 -11.822 1.00 11.33 H new ATOM 0 HZ1 LYS A 29 6.965 -6.979 -13.612 1.00 15.00 H new ATOM 0 HZ2 LYS A 29 8.180 -5.972 -12.984 1.00 15.00 H new ATOM 0 HZ3 LYS A 29 8.172 -7.628 -12.609 1.00 15.00 H new ATOM 426 N VAL A 30 7.510 -5.784 -7.199 1.00 52.31 N ATOM 427 CA VAL A 30 8.123 -6.733 -6.279 1.00 21.21 C ATOM 428 C VAL A 30 8.512 -7.953 -7.104 1.00 52.25 C ATOM 429 O VAL A 30 7.870 -8.275 -8.110 1.00 2.11 O ATOM 430 CB VAL A 30 7.138 -7.087 -5.139 1.00 3.12 C ATOM 431 CG1 VAL A 30 7.828 -7.880 -4.020 1.00 32.24 C ATOM 432 CG2 VAL A 30 6.492 -5.857 -4.483 1.00 52.22 C ATOM 0 H VAL A 30 6.900 -6.239 -7.878 1.00 52.31 H new ATOM 0 HA VAL A 30 9.007 -6.316 -5.798 1.00 21.21 H new ATOM 0 HB VAL A 30 6.365 -7.682 -5.626 1.00 3.12 H new ATOM 0 HG11 VAL A 30 7.105 -8.110 -3.238 1.00 32.24 H new ATOM 0 HG12 VAL A 30 8.230 -8.808 -4.426 1.00 32.24 H new ATOM 0 HG13 VAL A 30 8.640 -7.286 -3.600 1.00 32.24 H new ATOM 0 HG21 VAL A 30 5.814 -6.180 -3.693 1.00 52.22 H new ATOM 0 HG22 VAL A 30 7.269 -5.222 -4.057 1.00 52.22 H new ATOM 0 HG23 VAL A 30 5.935 -5.295 -5.233 1.00 52.22 H new ATOM 442 N GLU A 31 9.590 -8.619 -6.716 1.00 20.10 N ATOM 443 CA GLU A 31 10.142 -9.762 -7.420 1.00 21.44 C ATOM 444 C GLU A 31 9.650 -11.061 -6.772 1.00 75.24 C ATOM 445 O GLU A 31 8.944 -11.043 -5.756 1.00 53.42 O ATOM 446 CB GLU A 31 11.669 -9.618 -7.400 1.00 54.12 C ATOM 447 CG GLU A 31 12.216 -9.804 -5.985 1.00 14.42 C ATOM 448 CD GLU A 31 13.397 -8.884 -5.701 1.00 35.41 C ATOM 449 OE1 GLU A 31 13.131 -7.758 -5.222 1.00 53.32 O ATOM 450 OE2 GLU A 31 14.557 -9.298 -5.884 1.00 0.43 O ATOM 0 H GLU A 31 10.118 -8.370 -5.879 1.00 20.10 H new ATOM 0 HA GLU A 31 9.810 -9.800 -8.458 1.00 21.44 H new ATOM 0 HB2 GLU A 31 12.117 -10.355 -8.067 1.00 54.12 H new ATOM 0 HB3 GLU A 31 11.951 -8.635 -7.777 1.00 54.12 H new ATOM 0 HG2 GLU A 31 11.424 -9.610 -5.262 1.00 14.42 H new ATOM 0 HG3 GLU A 31 12.524 -10.841 -5.849 1.00 14.42 H new ATOM 457 N ALA A 32 10.057 -12.202 -7.321 1.00 60.32 N ATOM 458 CA ALA A 32 9.770 -13.529 -6.784 1.00 62.11 C ATOM 459 C ALA A 32 10.585 -13.895 -5.528 1.00 41.42 C ATOM 460 O ALA A 32 10.789 -15.067 -5.249 1.00 35.44 O ATOM 461 CB ALA A 32 9.993 -14.547 -7.889 1.00 11.13 C ATOM 0 H ALA A 32 10.612 -12.230 -8.177 1.00 60.32 H new ATOM 0 HA ALA A 32 8.732 -13.530 -6.450 1.00 62.11 H new ATOM 0 HB1 ALA A 32 9.784 -15.547 -7.510 1.00 11.13 H new ATOM 0 HB2 ALA A 32 9.327 -14.329 -8.724 1.00 11.13 H new ATOM 0 HB3 ALA A 32 11.028 -14.496 -8.227 1.00 11.13 H new ATOM 467 N GLU A 33 10.997 -12.918 -4.723 1.00 11.22 N ATOM 468 CA GLU A 33 11.507 -13.070 -3.362 1.00 74.15 C ATOM 469 C GLU A 33 10.606 -12.405 -2.334 1.00 73.25 C ATOM 470 O GLU A 33 10.441 -12.925 -1.233 1.00 32.21 O ATOM 471 CB GLU A 33 12.809 -12.300 -3.305 1.00 52.22 C ATOM 472 CG GLU A 33 13.940 -12.992 -4.039 1.00 14.24 C ATOM 473 CD GLU A 33 14.294 -14.284 -3.314 1.00 33.34 C ATOM 474 OE1 GLU A 33 14.496 -14.207 -2.077 1.00 1.04 O ATOM 475 OE2 GLU A 33 14.225 -15.371 -3.924 1.00 73.15 O ATOM 0 H GLU A 33 10.983 -11.942 -5.020 1.00 11.22 H new ATOM 0 HA GLU A 33 11.590 -14.134 -3.142 1.00 74.15 H new ATOM 0 HB2 GLU A 33 12.658 -11.309 -3.734 1.00 52.22 H new ATOM 0 HB3 GLU A 33 13.094 -12.156 -2.263 1.00 52.22 H new ATOM 0 HG2 GLU A 33 13.645 -13.207 -5.066 1.00 14.24 H new ATOM 0 HG3 GLU A 33 14.811 -12.338 -4.088 1.00 14.24 H new ATOM 482 N GLY A 34 10.047 -11.254 -2.697 1.00 12.12 N ATOM 483 CA GLY A 34 9.296 -10.436 -1.767 1.00 42.15 C ATOM 484 C GLY A 34 10.255 -9.656 -0.875 1.00 23.14 C ATOM 485 O GLY A 34 11.417 -10.031 -0.686 1.00 63.15 O ATOM 0 H GLY A 34 10.105 -10.869 -3.640 1.00 12.12 H new ATOM 0 HA2 GLY A 34 8.651 -9.747 -2.313 1.00 42.15 H new ATOM 0 HA3 GLY A 34 8.647 -11.065 -1.157 1.00 42.15 H new ATOM 489 N GLY A 35 9.762 -8.558 -0.319 1.00 51.12 N ATOM 490 CA GLY A 35 10.570 -7.616 0.442 1.00 11.44 C ATOM 491 C GLY A 35 9.744 -6.941 1.524 1.00 42.01 C ATOM 492 O GLY A 35 8.522 -7.112 1.579 1.00 20.12 O ATOM 0 H GLY A 35 8.779 -8.294 -0.385 1.00 51.12 H new ATOM 0 HA2 GLY A 35 11.413 -8.138 0.895 1.00 11.44 H new ATOM 0 HA3 GLY A 35 10.984 -6.862 -0.228 1.00 11.44 H new ATOM 496 N SER A 36 10.405 -6.155 2.374 1.00 51.12 N ATOM 497 CA SER A 36 9.729 -5.190 3.223 1.00 13.24 C ATOM 498 C SER A 36 9.755 -3.827 2.534 1.00 13.20 C ATOM 499 O SER A 36 10.664 -3.534 1.754 1.00 24.50 O ATOM 500 CB SER A 36 10.371 -5.147 4.619 1.00 43.01 C ATOM 501 OG SER A 36 11.780 -5.004 4.572 1.00 34.42 O ATOM 0 H SER A 36 11.418 -6.173 2.489 1.00 51.12 H new ATOM 0 HA SER A 36 8.690 -5.485 3.370 1.00 13.24 H new ATOM 0 HB2 SER A 36 9.945 -4.318 5.184 1.00 43.01 H new ATOM 0 HB3 SER A 36 10.121 -6.061 5.157 1.00 43.01 H new ATOM 0 HG SER A 36 12.137 -4.980 5.484 1.00 34.42 H new ATOM 507 N SER A 37 8.797 -2.969 2.870 1.00 54.35 N ATOM 508 CA SER A 37 8.792 -1.558 2.537 1.00 23.21 C ATOM 509 C SER A 37 8.197 -0.793 3.716 1.00 70.33 C ATOM 510 O SER A 37 7.319 -1.306 4.416 1.00 62.15 O ATOM 511 CB SER A 37 7.979 -1.354 1.262 1.00 30.52 C ATOM 512 OG SER A 37 8.744 -1.753 0.142 1.00 0.14 O ATOM 0 H SER A 37 7.974 -3.253 3.402 1.00 54.35 H new ATOM 0 HA SER A 37 9.800 -1.187 2.354 1.00 23.21 H new ATOM 0 HB2 SER A 37 7.057 -1.933 1.310 1.00 30.52 H new ATOM 0 HB3 SER A 37 7.693 -0.307 1.165 1.00 30.52 H new ATOM 0 HG SER A 37 9.539 -2.239 0.445 1.00 0.14 H new ATOM 518 N LEU A 38 8.679 0.434 3.914 1.00 13.10 N ATOM 519 CA LEU A 38 8.324 1.331 5.003 1.00 63.54 C ATOM 520 C LEU A 38 7.894 2.648 4.377 1.00 24.33 C ATOM 521 O LEU A 38 8.599 3.184 3.518 1.00 73.35 O ATOM 522 CB LEU A 38 9.537 1.530 5.930 1.00 12.14 C ATOM 523 CG LEU A 38 9.361 2.658 6.969 1.00 14.20 C ATOM 524 CD1 LEU A 38 8.231 2.378 7.961 1.00 61.11 C ATOM 525 CD2 LEU A 38 10.665 2.852 7.744 1.00 52.02 C ATOM 0 H LEU A 38 9.365 0.847 3.282 1.00 13.10 H new ATOM 0 HA LEU A 38 7.514 0.921 5.607 1.00 63.54 H new ATOM 0 HB2 LEU A 38 9.736 0.596 6.455 1.00 12.14 H new ATOM 0 HB3 LEU A 38 10.414 1.746 5.320 1.00 12.14 H new ATOM 0 HG LEU A 38 9.100 3.560 6.416 1.00 14.20 H new ATOM 0 HD11 LEU A 38 8.154 3.205 8.667 1.00 61.11 H new ATOM 0 HD12 LEU A 38 7.290 2.273 7.421 1.00 61.11 H new ATOM 0 HD13 LEU A 38 8.443 1.456 8.503 1.00 61.11 H new ATOM 0 HD21 LEU A 38 10.538 3.649 8.477 1.00 52.02 H new ATOM 0 HD22 LEU A 38 10.925 1.926 8.257 1.00 52.02 H new ATOM 0 HD23 LEU A 38 11.463 3.120 7.052 1.00 52.02 H new ATOM 537 N PHE A 39 6.763 3.156 4.845 1.00 43.11 N ATOM 538 CA PHE A 39 6.097 4.353 4.390 1.00 14.10 C ATOM 539 C PHE A 39 5.838 5.177 5.647 1.00 64.33 C ATOM 540 O PHE A 39 4.869 4.923 6.363 1.00 31.33 O ATOM 541 CB PHE A 39 4.813 3.972 3.638 1.00 24.33 C ATOM 542 CG PHE A 39 5.031 2.946 2.544 1.00 1.23 C ATOM 543 CD1 PHE A 39 5.443 3.362 1.269 1.00 13.40 C ATOM 544 CD2 PHE A 39 4.852 1.574 2.810 1.00 51.12 C ATOM 545 CE1 PHE A 39 5.660 2.404 0.267 1.00 73.43 C ATOM 546 CE2 PHE A 39 5.039 0.619 1.797 1.00 4.43 C ATOM 547 CZ PHE A 39 5.434 1.039 0.517 1.00 43.44 C ATOM 0 H PHE A 39 6.256 2.705 5.607 1.00 43.11 H new ATOM 0 HA PHE A 39 6.688 4.936 3.684 1.00 14.10 H new ATOM 0 HB2 PHE A 39 4.087 3.582 4.351 1.00 24.33 H new ATOM 0 HB3 PHE A 39 4.378 4.871 3.200 1.00 24.33 H new ATOM 0 HD1 PHE A 39 5.592 4.411 1.060 1.00 13.40 H new ATOM 0 HD2 PHE A 39 4.568 1.254 3.802 1.00 51.12 H new ATOM 0 HE1 PHE A 39 6.004 2.719 -0.707 1.00 73.43 H new ATOM 0 HE2 PHE A 39 4.880 -0.430 2.001 1.00 4.43 H new ATOM 0 HZ PHE A 39 5.564 0.315 -0.274 1.00 43.44 H new ATOM 557 N ALA A 40 6.744 6.103 5.977 1.00 52.33 N ATOM 558 CA ALA A 40 6.566 6.968 7.139 1.00 4.00 C ATOM 559 C ALA A 40 6.032 8.308 6.699 1.00 11.43 C ATOM 560 O ALA A 40 6.606 8.953 5.816 1.00 12.32 O ATOM 561 CB ALA A 40 7.852 7.128 7.940 1.00 10.12 C ATOM 0 H ALA A 40 7.604 6.270 5.455 1.00 52.33 H new ATOM 0 HA ALA A 40 5.843 6.494 7.803 1.00 4.00 H new ATOM 0 HB1 ALA A 40 7.670 7.780 8.794 1.00 10.12 H new ATOM 0 HB2 ALA A 40 8.185 6.152 8.293 1.00 10.12 H new ATOM 0 HB3 ALA A 40 8.623 7.567 7.307 1.00 10.12 H new ATOM 567 N CYS A 41 4.911 8.692 7.294 1.00 31.22 N ATOM 568 CA CYS A 41 4.124 9.824 6.884 1.00 53.11 C ATOM 569 C CYS A 41 4.429 11.023 7.758 1.00 1.11 C ATOM 570 O CYS A 41 4.449 10.966 8.995 1.00 61.11 O ATOM 571 CB CYS A 41 2.650 9.465 6.907 1.00 3.03 C ATOM 572 SG CYS A 41 2.108 8.934 8.519 1.00 54.34 S ATOM 0 H CYS A 41 4.521 8.202 8.099 1.00 31.22 H new ATOM 0 HA CYS A 41 4.384 10.095 5.861 1.00 53.11 H new ATOM 0 HB2 CYS A 41 2.063 10.329 6.595 1.00 3.03 H new ATOM 0 HB3 CYS A 41 2.460 8.673 6.183 1.00 3.03 H new ATOM 0 HG CYS A 41 0.851 9.228 8.673 1.00 54.34 H new ATOM 578 N LYS A 42 4.658 12.140 7.076 1.00 10.02 N ATOM 579 CA LYS A 42 5.136 13.348 7.712 1.00 33.51 C ATOM 580 C LYS A 42 4.035 14.391 7.841 1.00 52.12 C ATOM 581 O LYS A 42 4.188 15.297 8.659 1.00 72.34 O ATOM 582 CB LYS A 42 6.395 13.847 7.010 1.00 24.34 C ATOM 583 CG LYS A 42 6.215 14.175 5.533 1.00 2.33 C ATOM 584 CD LYS A 42 7.487 14.778 4.940 1.00 3.40 C ATOM 585 CE LYS A 42 7.303 14.944 3.435 1.00 54.25 C ATOM 586 NZ LYS A 42 8.578 15.188 2.746 1.00 73.43 N ATOM 0 H LYS A 42 4.516 12.227 6.070 1.00 10.02 H new ATOM 0 HA LYS A 42 5.424 13.125 8.739 1.00 33.51 H new ATOM 0 HB2 LYS A 42 6.752 14.739 7.525 1.00 24.34 H new ATOM 0 HB3 LYS A 42 7.173 13.090 7.108 1.00 24.34 H new ATOM 0 HG2 LYS A 42 5.950 13.270 4.987 1.00 2.33 H new ATOM 0 HG3 LYS A 42 5.388 14.874 5.412 1.00 2.33 H new ATOM 0 HD2 LYS A 42 7.697 15.742 5.402 1.00 3.40 H new ATOM 0 HD3 LYS A 42 8.341 14.133 5.146 1.00 3.40 H new ATOM 0 HE2 LYS A 42 6.836 14.048 3.026 1.00 54.25 H new ATOM 0 HE3 LYS A 42 6.623 15.774 3.243 1.00 54.25 H new ATOM 0 HZ1 LYS A 42 8.406 15.295 1.726 1.00 73.43 H new ATOM 0 HZ2 LYS A 42 9.012 16.057 3.117 1.00 73.43 H new ATOM 0 HZ3 LYS A 42 9.219 14.385 2.907 1.00 73.43 H new ATOM 600 N ASN A 43 2.927 14.255 7.109 1.00 12.21 N ATOM 601 CA ASN A 43 1.862 15.261 7.058 1.00 10.44 C ATOM 602 C ASN A 43 0.469 14.726 7.439 1.00 3.00 C ATOM 603 O ASN A 43 -0.456 15.530 7.572 1.00 33.42 O ATOM 604 CB ASN A 43 1.853 15.919 5.668 1.00 63.14 C ATOM 605 CG ASN A 43 0.888 15.237 4.711 1.00 1.24 C ATOM 606 OD1 ASN A 43 0.940 14.030 4.527 1.00 2.20 O ATOM 607 ND2 ASN A 43 0.036 15.998 4.066 1.00 70.54 N ATOM 0 H ASN A 43 2.741 13.436 6.530 1.00 12.21 H new ATOM 0 HA ASN A 43 2.088 16.005 7.822 1.00 10.44 H new ATOM 0 HB2 ASN A 43 1.580 16.970 5.768 1.00 63.14 H new ATOM 0 HB3 ASN A 43 2.859 15.890 5.248 1.00 63.14 H new ATOM 0 HD21 ASN A 43 -0.606 15.585 3.390 1.00 70.54 H new ATOM 0 HD22 ASN A 43 0.016 17.003 4.241 1.00 70.54 H new ATOM 614 N TYR A 44 0.316 13.413 7.637 1.00 63.51 N ATOM 615 CA TYR A 44 -0.953 12.753 7.936 1.00 5.22 C ATOM 616 C TYR A 44 -0.686 11.515 8.805 1.00 4.23 C ATOM 617 O TYR A 44 -0.607 10.401 8.299 1.00 43.22 O ATOM 618 CB TYR A 44 -1.633 12.344 6.616 1.00 42.14 C ATOM 619 CG TYR A 44 -2.470 13.398 5.912 1.00 24.42 C ATOM 620 CD1 TYR A 44 -3.553 14.012 6.571 1.00 72.22 C ATOM 621 CD2 TYR A 44 -2.276 13.627 4.540 1.00 61.24 C ATOM 622 CE1 TYR A 44 -4.435 14.846 5.862 1.00 65.23 C ATOM 623 CE2 TYR A 44 -3.160 14.447 3.821 1.00 13.44 C ATOM 624 CZ TYR A 44 -4.240 15.075 4.484 1.00 70.24 C ATOM 625 OH TYR A 44 -5.122 15.860 3.803 1.00 73.51 O ATOM 0 H TYR A 44 1.099 12.761 7.591 1.00 63.51 H new ATOM 0 HA TYR A 44 -1.611 13.432 8.479 1.00 5.22 H new ATOM 0 HB2 TYR A 44 -0.858 12.011 5.926 1.00 42.14 H new ATOM 0 HB3 TYR A 44 -2.272 11.484 6.817 1.00 42.14 H new ATOM 0 HD1 TYR A 44 -3.707 13.841 7.626 1.00 72.22 H new ATOM 0 HD2 TYR A 44 -1.440 13.168 4.034 1.00 61.24 H new ATOM 0 HE1 TYR A 44 -5.264 15.312 6.374 1.00 65.23 H new ATOM 0 HE2 TYR A 44 -3.015 14.598 2.761 1.00 13.44 H new ATOM 0 HH TYR A 44 -4.848 15.921 2.864 1.00 73.51 H new ATOM 635 N LYS A 45 -0.531 11.686 10.118 1.00 1.44 N ATOM 636 CA LYS A 45 -0.201 10.595 11.057 1.00 63.24 C ATOM 637 C LYS A 45 -1.452 9.900 11.595 1.00 72.11 C ATOM 638 O LYS A 45 -1.432 9.303 12.667 1.00 41.43 O ATOM 639 CB LYS A 45 0.649 11.126 12.217 1.00 50.33 C ATOM 640 CG LYS A 45 1.964 11.756 11.736 1.00 62.33 C ATOM 641 CD LYS A 45 2.025 13.256 12.016 1.00 5.03 C ATOM 642 CE LYS A 45 3.339 13.803 11.460 1.00 2.43 C ATOM 643 NZ LYS A 45 3.560 15.198 11.875 1.00 71.51 N ATOM 0 H LYS A 45 -0.631 12.594 10.572 1.00 1.44 H new ATOM 0 HA LYS A 45 0.372 9.853 10.501 1.00 63.24 H new ATOM 0 HB2 LYS A 45 0.076 11.867 12.774 1.00 50.33 H new ATOM 0 HB3 LYS A 45 0.870 10.310 12.905 1.00 50.33 H new ATOM 0 HG2 LYS A 45 2.802 11.262 12.228 1.00 62.33 H new ATOM 0 HG3 LYS A 45 2.077 11.584 10.666 1.00 62.33 H new ATOM 0 HD2 LYS A 45 1.178 13.762 11.552 1.00 5.03 H new ATOM 0 HD3 LYS A 45 1.961 13.444 13.088 1.00 5.03 H new ATOM 0 HE2 LYS A 45 4.167 13.184 11.805 1.00 2.43 H new ATOM 0 HE3 LYS A 45 3.328 13.743 10.372 1.00 2.43 H new ATOM 0 HZ1 LYS A 45 4.460 15.539 11.481 1.00 71.51 H new ATOM 0 HZ2 LYS A 45 2.782 15.792 11.525 1.00 71.51 H new ATOM 0 HZ3 LYS A 45 3.595 15.250 12.913 1.00 71.51 H new ATOM 657 N SER A 46 -2.563 10.053 10.890 1.00 3.24 N ATOM 658 CA SER A 46 -3.874 9.611 11.308 1.00 1.31 C ATOM 659 C SER A 46 -4.558 9.149 10.029 1.00 34.23 C ATOM 660 O SER A 46 -4.943 9.979 9.207 1.00 25.22 O ATOM 661 CB SER A 46 -4.606 10.778 11.981 1.00 65.25 C ATOM 662 OG SER A 46 -3.829 11.435 12.980 1.00 45.12 O ATOM 0 H SER A 46 -2.570 10.507 9.976 1.00 3.24 H new ATOM 0 HA SER A 46 -3.853 8.803 12.039 1.00 1.31 H new ATOM 0 HB2 SER A 46 -4.894 11.503 11.220 1.00 65.25 H new ATOM 0 HB3 SER A 46 -5.526 10.408 12.433 1.00 65.25 H new ATOM 0 HG SER A 46 -4.349 12.169 13.369 1.00 45.12 H new ATOM 668 N PHE A 47 -4.580 7.839 9.806 1.00 44.03 N ATOM 669 CA PHE A 47 -5.217 7.179 8.676 1.00 71.41 C ATOM 670 C PHE A 47 -5.551 5.750 9.087 1.00 43.13 C ATOM 671 O PHE A 47 -5.244 5.344 10.212 1.00 33.53 O ATOM 672 CB PHE A 47 -4.301 7.188 7.446 1.00 12.23 C ATOM 673 CG PHE A 47 -2.934 6.558 7.616 1.00 31.43 C ATOM 674 CD1 PHE A 47 -1.889 7.310 8.175 1.00 41.13 C ATOM 675 CD2 PHE A 47 -2.677 5.255 7.148 1.00 53.33 C ATOM 676 CE1 PHE A 47 -0.605 6.757 8.283 1.00 51.22 C ATOM 677 CE2 PHE A 47 -1.373 4.730 7.198 1.00 11.30 C ATOM 678 CZ PHE A 47 -0.338 5.478 7.783 1.00 74.25 C ATOM 0 H PHE A 47 -4.132 7.178 10.441 1.00 44.03 H new ATOM 0 HA PHE A 47 -6.127 7.713 8.404 1.00 71.41 H new ATOM 0 HB2 PHE A 47 -4.815 6.673 6.634 1.00 12.23 H new ATOM 0 HB3 PHE A 47 -4.163 8.222 7.131 1.00 12.23 H new ATOM 0 HD1 PHE A 47 -2.074 8.316 8.522 1.00 41.13 H new ATOM 0 HD2 PHE A 47 -3.483 4.657 6.750 1.00 53.33 H new ATOM 0 HE1 PHE A 47 0.184 7.323 8.756 1.00 51.22 H new ATOM 0 HE2 PHE A 47 -1.168 3.753 6.787 1.00 11.30 H new ATOM 0 HZ PHE A 47 0.659 5.068 7.846 1.00 74.25 H new ATOM 688 N TRP A 48 -6.168 4.987 8.193 1.00 32.40 N ATOM 689 CA TRP A 48 -6.478 3.578 8.407 1.00 52.35 C ATOM 690 C TRP A 48 -6.646 2.887 7.071 1.00 62.44 C ATOM 691 O TRP A 48 -6.820 3.520 6.029 1.00 53.41 O ATOM 692 CB TRP A 48 -7.766 3.437 9.232 1.00 62.53 C ATOM 693 CG TRP A 48 -8.982 4.127 8.696 1.00 74.11 C ATOM 694 CD1 TRP A 48 -9.855 3.582 7.822 1.00 33.50 C ATOM 695 CD2 TRP A 48 -9.469 5.481 8.960 1.00 71.44 C ATOM 696 NE1 TRP A 48 -10.835 4.502 7.523 1.00 73.45 N ATOM 697 CE2 TRP A 48 -10.664 5.684 8.208 1.00 70.21 C ATOM 698 CE3 TRP A 48 -9.019 6.560 9.751 1.00 51.33 C ATOM 699 CZ2 TRP A 48 -11.389 6.885 8.257 1.00 63.32 C ATOM 700 CZ3 TRP A 48 -9.724 7.778 9.795 1.00 42.43 C ATOM 701 CH2 TRP A 48 -10.913 7.937 9.056 1.00 25.52 C ATOM 0 H TRP A 48 -6.472 5.335 7.284 1.00 32.40 H new ATOM 0 HA TRP A 48 -5.658 3.113 8.955 1.00 52.35 H new ATOM 0 HB2 TRP A 48 -7.992 2.375 9.332 1.00 62.53 H new ATOM 0 HB3 TRP A 48 -7.572 3.818 10.235 1.00 62.53 H new ATOM 0 HD1 TRP A 48 -9.794 2.581 7.420 1.00 33.50 H new ATOM 0 HE1 TRP A 48 -11.599 4.328 6.870 1.00 73.45 H new ATOM 0 HE3 TRP A 48 -8.116 6.449 10.334 1.00 51.33 H new ATOM 0 HZ2 TRP A 48 -12.300 6.998 7.688 1.00 63.32 H new ATOM 0 HZ3 TRP A 48 -9.352 8.593 10.397 1.00 42.43 H new ATOM 0 HH2 TRP A 48 -11.458 8.868 9.104 1.00 25.52 H new ATOM 712 N ILE A 49 -6.584 1.566 7.129 1.00 64.32 N ATOM 713 CA ILE A 49 -6.713 0.677 5.996 1.00 63.25 C ATOM 714 C ILE A 49 -8.172 0.684 5.547 1.00 70.45 C ATOM 715 O ILE A 49 -9.044 0.353 6.353 1.00 44.34 O ATOM 716 CB ILE A 49 -6.257 -0.731 6.425 1.00 11.32 C ATOM 717 CG1 ILE A 49 -4.811 -0.734 6.984 1.00 42.22 C ATOM 718 CG2 ILE A 49 -6.416 -1.707 5.247 1.00 24.54 C ATOM 719 CD1 ILE A 49 -3.706 -0.524 5.946 1.00 62.11 C ATOM 0 H ILE A 49 -6.436 1.068 8.007 1.00 64.32 H new ATOM 0 HA ILE A 49 -6.092 0.998 5.160 1.00 63.25 H new ATOM 0 HB ILE A 49 -6.896 -1.063 7.244 1.00 11.32 H new ATOM 0 HG12 ILE A 49 -4.730 0.048 7.739 1.00 42.22 H new ATOM 0 HG13 ILE A 49 -4.636 -1.684 7.489 1.00 42.22 H new ATOM 0 HG21 ILE A 49 -6.093 -2.702 5.553 1.00 24.54 H new ATOM 0 HG22 ILE A 49 -7.462 -1.743 4.943 1.00 24.54 H new ATOM 0 HG23 ILE A 49 -5.806 -1.369 4.409 1.00 24.54 H new ATOM 0 HD11 ILE A 49 -2.734 -0.543 6.440 1.00 62.11 H new ATOM 0 HD12 ILE A 49 -3.750 -1.319 5.202 1.00 62.11 H new ATOM 0 HD13 ILE A 49 -3.845 0.440 5.456 1.00 62.11 H new ATOM 731 N SER A 50 -8.424 0.987 4.270 1.00 71.32 N ATOM 732 CA SER A 50 -9.751 0.862 3.671 1.00 14.23 C ATOM 733 C SER A 50 -9.738 0.301 2.249 1.00 21.51 C ATOM 734 O SER A 50 -10.804 0.240 1.627 1.00 23.41 O ATOM 735 CB SER A 50 -10.502 2.185 3.738 1.00 13.04 C ATOM 736 OG SER A 50 -10.799 2.501 5.078 1.00 33.24 O ATOM 0 H SER A 50 -7.711 1.326 3.624 1.00 71.32 H new ATOM 0 HA SER A 50 -10.284 0.123 4.270 1.00 14.23 H new ATOM 0 HB2 SER A 50 -9.900 2.978 3.293 1.00 13.04 H new ATOM 0 HB3 SER A 50 -11.423 2.120 3.158 1.00 13.04 H new ATOM 0 HG SER A 50 -10.006 2.884 5.507 1.00 33.24 H new ATOM 742 N SER A 51 -8.607 -0.193 1.729 1.00 31.23 N ATOM 743 CA SER A 51 -8.727 -1.283 0.774 1.00 25.42 C ATOM 744 C SER A 51 -7.685 -2.367 0.970 1.00 13.34 C ATOM 745 O SER A 51 -6.599 -2.137 1.510 1.00 22.13 O ATOM 746 CB SER A 51 -8.798 -0.796 -0.678 1.00 44.44 C ATOM 747 OG SER A 51 -7.535 -0.499 -1.240 1.00 51.42 O ATOM 0 H SER A 51 -7.660 0.124 1.939 1.00 31.23 H new ATOM 0 HA SER A 51 -9.688 -1.751 0.988 1.00 25.42 H new ATOM 0 HB2 SER A 51 -9.285 -1.559 -1.285 1.00 44.44 H new ATOM 0 HB3 SER A 51 -9.424 0.095 -0.723 1.00 44.44 H new ATOM 0 HG SER A 51 -7.651 -0.197 -2.165 1.00 51.42 H new ATOM 753 N VAL A 52 -8.043 -3.540 0.460 1.00 1.44 N ATOM 754 CA VAL A 52 -7.202 -4.688 0.208 1.00 12.10 C ATOM 755 C VAL A 52 -7.661 -5.212 -1.158 1.00 32.42 C ATOM 756 O VAL A 52 -8.851 -5.181 -1.471 1.00 20.11 O ATOM 757 CB VAL A 52 -7.406 -5.740 1.316 1.00 55.35 C ATOM 758 CG1 VAL A 52 -6.559 -6.991 1.054 1.00 2.42 C ATOM 759 CG2 VAL A 52 -7.079 -5.246 2.727 1.00 14.42 C ATOM 0 H VAL A 52 -9.011 -3.720 0.193 1.00 1.44 H new ATOM 0 HA VAL A 52 -6.139 -4.447 0.206 1.00 12.10 H new ATOM 0 HB VAL A 52 -8.472 -5.965 1.278 1.00 55.35 H new ATOM 0 HG11 VAL A 52 -6.723 -7.715 1.852 1.00 2.42 H new ATOM 0 HG12 VAL A 52 -6.846 -7.431 0.099 1.00 2.42 H new ATOM 0 HG13 VAL A 52 -5.504 -6.717 1.025 1.00 2.42 H new ATOM 0 HG21 VAL A 52 -7.251 -6.050 3.443 1.00 14.42 H new ATOM 0 HG22 VAL A 52 -6.035 -4.937 2.771 1.00 14.42 H new ATOM 0 HG23 VAL A 52 -7.719 -4.398 2.973 1.00 14.42 H new ATOM 769 N LYS A 53 -6.733 -5.723 -1.963 1.00 35.50 N ATOM 770 CA LYS A 53 -6.971 -6.562 -3.136 1.00 62.53 C ATOM 771 C LYS A 53 -5.877 -7.605 -3.083 1.00 23.42 C ATOM 772 O LYS A 53 -4.763 -7.238 -2.733 1.00 1.00 O ATOM 773 CB LYS A 53 -6.917 -5.714 -4.424 1.00 43.03 C ATOM 774 CG LYS A 53 -6.544 -6.470 -5.715 1.00 22.21 C ATOM 775 CD LYS A 53 -6.960 -5.751 -7.009 1.00 12.22 C ATOM 776 CE LYS A 53 -6.357 -4.356 -7.170 1.00 61.15 C ATOM 777 NZ LYS A 53 -6.416 -3.860 -8.566 1.00 31.34 N ATOM 0 H LYS A 53 -5.739 -5.554 -1.806 1.00 35.50 H new ATOM 0 HA LYS A 53 -7.957 -7.027 -3.139 1.00 62.53 H new ATOM 0 HB2 LYS A 53 -7.891 -5.246 -4.569 1.00 43.03 H new ATOM 0 HB3 LYS A 53 -6.196 -4.910 -4.276 1.00 43.03 H new ATOM 0 HG2 LYS A 53 -5.466 -6.628 -5.731 1.00 22.21 H new ATOM 0 HG3 LYS A 53 -7.011 -7.455 -5.694 1.00 22.21 H new ATOM 0 HD2 LYS A 53 -6.666 -6.363 -7.862 1.00 12.22 H new ATOM 0 HD3 LYS A 53 -8.047 -5.670 -7.034 1.00 12.22 H new ATOM 0 HE2 LYS A 53 -6.886 -3.660 -6.520 1.00 61.15 H new ATOM 0 HE3 LYS A 53 -5.318 -4.374 -6.840 1.00 61.15 H new ATOM 0 HZ1 LYS A 53 -5.993 -2.911 -8.615 1.00 31.34 H new ATOM 0 HZ2 LYS A 53 -5.889 -4.507 -9.187 1.00 31.34 H new ATOM 0 HZ3 LYS A 53 -7.408 -3.814 -8.876 1.00 31.34 H new ATOM 791 N GLU A 54 -6.177 -8.853 -3.434 1.00 54.15 N ATOM 792 CA GLU A 54 -5.183 -9.935 -3.466 1.00 35.21 C ATOM 793 C GLU A 54 -5.282 -10.778 -4.734 1.00 35.10 C ATOM 794 O GLU A 54 -4.480 -11.689 -4.952 1.00 0.30 O ATOM 795 CB GLU A 54 -5.252 -10.782 -2.179 1.00 53.21 C ATOM 796 CG GLU A 54 -6.511 -11.639 -1.985 1.00 40.04 C ATOM 797 CD GLU A 54 -6.319 -12.701 -0.899 1.00 54.20 C ATOM 798 OE1 GLU A 54 -6.588 -12.413 0.285 1.00 3.31 O ATOM 799 OE2 GLU A 54 -5.895 -13.834 -1.223 1.00 4.12 O ATOM 0 H GLU A 54 -7.115 -9.148 -3.705 1.00 54.15 H new ATOM 0 HA GLU A 54 -4.195 -9.476 -3.498 1.00 35.21 H new ATOM 0 HB2 GLU A 54 -4.385 -11.442 -2.159 1.00 53.21 H new ATOM 0 HB3 GLU A 54 -5.162 -10.111 -1.325 1.00 53.21 H new ATOM 0 HG2 GLU A 54 -7.350 -10.996 -1.719 1.00 40.04 H new ATOM 0 HG3 GLU A 54 -6.768 -12.125 -2.926 1.00 40.04 H new ATOM 806 N GLU A 55 -6.273 -10.486 -5.577 1.00 35.40 N ATOM 807 CA GLU A 55 -6.696 -11.393 -6.636 1.00 22.44 C ATOM 808 C GLU A 55 -7.363 -10.616 -7.766 1.00 1.30 C ATOM 809 O GLU A 55 -8.377 -11.022 -8.322 1.00 15.01 O ATOM 810 CB GLU A 55 -7.591 -12.480 -6.011 1.00 2.12 C ATOM 811 CG GLU A 55 -7.168 -13.863 -6.492 1.00 55.41 C ATOM 812 CD GLU A 55 -7.578 -14.089 -7.945 1.00 34.21 C ATOM 813 OE1 GLU A 55 -8.757 -14.450 -8.180 1.00 52.33 O ATOM 814 OE2 GLU A 55 -6.761 -13.841 -8.861 1.00 4.32 O ATOM 0 H GLU A 55 -6.802 -9.615 -5.542 1.00 35.40 H new ATOM 0 HA GLU A 55 -5.843 -11.893 -7.095 1.00 22.44 H new ATOM 0 HB2 GLU A 55 -7.527 -12.431 -4.924 1.00 2.12 H new ATOM 0 HB3 GLU A 55 -8.632 -12.299 -6.277 1.00 2.12 H new ATOM 0 HG2 GLU A 55 -6.088 -13.970 -6.395 1.00 55.41 H new ATOM 0 HG3 GLU A 55 -7.622 -14.626 -5.860 1.00 55.41 H new ATOM 821 N GLY A 56 -6.837 -9.432 -8.075 1.00 15.23 N ATOM 822 CA GLY A 56 -7.366 -8.612 -9.163 1.00 41.43 C ATOM 823 C GLY A 56 -8.728 -7.977 -8.851 1.00 15.42 C ATOM 824 O GLY A 56 -9.239 -7.216 -9.669 1.00 0.23 O ATOM 0 H GLY A 56 -6.043 -9.019 -7.586 1.00 15.23 H new ATOM 0 HA2 GLY A 56 -6.651 -7.822 -9.392 1.00 41.43 H new ATOM 0 HA3 GLY A 56 -7.458 -9.227 -10.058 1.00 41.43 H new ATOM 828 N LYS A 57 -9.307 -8.236 -7.678 1.00 32.25 N ATOM 829 CA LYS A 57 -10.537 -7.646 -7.159 1.00 44.01 C ATOM 830 C LYS A 57 -10.316 -7.352 -5.684 1.00 54.31 C ATOM 831 O LYS A 57 -9.367 -7.882 -5.096 1.00 15.22 O ATOM 832 CB LYS A 57 -11.740 -8.572 -7.418 1.00 35.12 C ATOM 833 CG LYS A 57 -11.601 -10.030 -6.940 1.00 74.41 C ATOM 834 CD LYS A 57 -12.095 -10.286 -5.510 1.00 15.32 C ATOM 835 CE LYS A 57 -11.922 -11.786 -5.249 1.00 41.00 C ATOM 836 NZ LYS A 57 -12.484 -12.235 -3.961 1.00 44.00 N ATOM 0 H LYS A 57 -8.902 -8.907 -7.025 1.00 32.25 H new ATOM 0 HA LYS A 57 -10.775 -6.714 -7.672 1.00 44.01 H new ATOM 0 HB2 LYS A 57 -12.615 -8.137 -6.936 1.00 35.12 H new ATOM 0 HB3 LYS A 57 -11.938 -8.582 -8.490 1.00 35.12 H new ATOM 0 HG2 LYS A 57 -12.154 -10.676 -7.622 1.00 74.41 H new ATOM 0 HG3 LYS A 57 -10.553 -10.321 -7.005 1.00 74.41 H new ATOM 0 HD2 LYS A 57 -11.523 -9.699 -4.792 1.00 15.32 H new ATOM 0 HD3 LYS A 57 -13.139 -9.992 -5.402 1.00 15.32 H new ATOM 0 HE2 LYS A 57 -12.398 -12.343 -6.056 1.00 41.00 H new ATOM 0 HE3 LYS A 57 -10.860 -12.030 -5.276 1.00 41.00 H new ATOM 0 HZ1 LYS A 57 -12.331 -13.258 -3.853 1.00 44.00 H new ATOM 0 HZ2 LYS A 57 -12.014 -11.730 -3.182 1.00 44.00 H new ATOM 0 HZ3 LYS A 57 -13.504 -12.034 -3.938 1.00 44.00 H new ATOM 850 N PHE A 58 -11.126 -6.472 -5.111 1.00 42.24 N ATOM 851 CA PHE A 58 -10.925 -5.992 -3.752 1.00 73.20 C ATOM 852 C PHE A 58 -11.545 -6.992 -2.770 1.00 74.51 C ATOM 853 O PHE A 58 -12.346 -7.858 -3.146 1.00 31.13 O ATOM 854 CB PHE A 58 -11.494 -4.569 -3.589 1.00 42.03 C ATOM 855 CG PHE A 58 -10.655 -3.411 -4.131 1.00 32.50 C ATOM 856 CD1 PHE A 58 -9.915 -3.500 -5.329 1.00 64.34 C ATOM 857 CD2 PHE A 58 -10.648 -2.194 -3.425 1.00 51.12 C ATOM 858 CE1 PHE A 58 -9.134 -2.415 -5.769 1.00 35.32 C ATOM 859 CE2 PHE A 58 -9.876 -1.105 -3.868 1.00 43.25 C ATOM 860 CZ PHE A 58 -9.090 -1.225 -5.026 1.00 15.00 C ATOM 0 H PHE A 58 -11.941 -6.071 -5.576 1.00 42.24 H new ATOM 0 HA PHE A 58 -9.859 -5.923 -3.533 1.00 73.20 H new ATOM 0 HB2 PHE A 58 -12.468 -4.537 -4.078 1.00 42.03 H new ATOM 0 HB3 PHE A 58 -11.664 -4.394 -2.527 1.00 42.03 H new ATOM 0 HD1 PHE A 58 -9.948 -4.408 -5.913 1.00 64.34 H new ATOM 0 HD2 PHE A 58 -11.244 -2.095 -2.530 1.00 51.12 H new ATOM 0 HE1 PHE A 58 -8.565 -2.499 -6.683 1.00 35.32 H new ATOM 0 HE2 PHE A 58 -9.888 -0.176 -3.317 1.00 43.25 H new ATOM 0 HZ PHE A 58 -8.457 -0.409 -5.342 1.00 15.00 H new ATOM 870 N LYS A 59 -11.158 -6.911 -1.500 1.00 4.13 N ATOM 871 CA LYS A 59 -11.667 -7.721 -0.402 1.00 15.31 C ATOM 872 C LYS A 59 -11.697 -6.887 0.887 1.00 15.04 C ATOM 873 O LYS A 59 -11.194 -5.762 0.879 1.00 3.25 O ATOM 874 CB LYS A 59 -10.837 -9.013 -0.317 1.00 21.14 C ATOM 875 CG LYS A 59 -9.432 -8.801 0.266 1.00 63.50 C ATOM 876 CD LYS A 59 -9.299 -9.473 1.640 1.00 11.33 C ATOM 877 CE LYS A 59 -8.811 -10.901 1.420 1.00 21.12 C ATOM 878 NZ LYS A 59 -9.256 -11.842 2.457 1.00 71.10 N ATOM 0 H LYS A 59 -10.447 -6.246 -1.196 1.00 4.13 H new ATOM 0 HA LYS A 59 -12.699 -8.029 -0.569 1.00 15.31 H new ATOM 0 HB2 LYS A 59 -11.371 -9.739 0.297 1.00 21.14 H new ATOM 0 HB3 LYS A 59 -10.747 -9.444 -1.314 1.00 21.14 H new ATOM 0 HG2 LYS A 59 -8.686 -9.209 -0.416 1.00 63.50 H new ATOM 0 HG3 LYS A 59 -9.230 -7.734 0.358 1.00 63.50 H new ATOM 0 HD2 LYS A 59 -8.598 -8.923 2.267 1.00 11.33 H new ATOM 0 HD3 LYS A 59 -10.258 -9.473 2.159 1.00 11.33 H new ATOM 0 HE2 LYS A 59 -9.163 -11.251 0.449 1.00 21.12 H new ATOM 0 HE3 LYS A 59 -7.722 -10.902 1.384 1.00 21.12 H new ATOM 0 HZ1 LYS A 59 -8.889 -12.792 2.245 1.00 71.10 H new ATOM 0 HZ2 LYS A 59 -8.899 -11.532 3.383 1.00 71.10 H new ATOM 0 HZ3 LYS A 59 -10.295 -11.870 2.478 1.00 71.10 H new ATOM 892 N GLU A 60 -12.282 -7.407 1.968 1.00 1.45 N ATOM 893 CA GLU A 60 -12.467 -6.655 3.213 1.00 20.14 C ATOM 894 C GLU A 60 -11.330 -6.891 4.216 1.00 23.12 C ATOM 895 O GLU A 60 -10.571 -7.857 4.104 1.00 1.31 O ATOM 896 CB GLU A 60 -13.824 -7.012 3.843 1.00 32.21 C ATOM 897 CG GLU A 60 -14.985 -6.146 3.323 1.00 51.13 C ATOM 898 CD GLU A 60 -15.910 -5.684 4.454 1.00 51.23 C ATOM 899 OE1 GLU A 60 -15.421 -5.029 5.407 1.00 30.44 O ATOM 900 OE2 GLU A 60 -17.115 -6.029 4.431 1.00 1.33 O ATOM 0 H GLU A 60 -12.641 -8.361 2.006 1.00 1.45 H new ATOM 0 HA GLU A 60 -12.449 -5.595 2.960 1.00 20.14 H new ATOM 0 HB2 GLU A 60 -14.045 -8.061 3.643 1.00 32.21 H new ATOM 0 HB3 GLU A 60 -13.754 -6.902 4.925 1.00 32.21 H new ATOM 0 HG2 GLU A 60 -14.583 -5.275 2.805 1.00 51.13 H new ATOM 0 HG3 GLU A 60 -15.561 -6.714 2.593 1.00 51.13 H new ATOM 907 N ASN A 61 -11.250 -6.026 5.233 1.00 73.42 N ATOM 908 CA ASN A 61 -10.111 -5.847 6.119 1.00 54.23 C ATOM 909 C ASN A 61 -10.527 -5.958 7.589 1.00 11.01 C ATOM 910 O ASN A 61 -11.387 -5.210 8.055 1.00 13.24 O ATOM 911 CB ASN A 61 -9.490 -4.472 5.848 1.00 3.23 C ATOM 912 CG ASN A 61 -8.093 -4.477 6.418 1.00 63.51 C ATOM 913 OD1 ASN A 61 -7.208 -5.071 5.833 1.00 30.34 O ATOM 914 ND2 ASN A 61 -7.847 -3.885 7.563 1.00 2.02 N ATOM 0 H ASN A 61 -12.023 -5.402 5.466 1.00 73.42 H new ATOM 0 HA ASN A 61 -9.382 -6.634 5.924 1.00 54.23 H new ATOM 0 HB2 ASN A 61 -9.465 -4.268 4.777 1.00 3.23 H new ATOM 0 HB3 ASN A 61 -10.088 -3.685 6.308 1.00 3.23 H new ATOM 0 HD21 ASN A 61 -6.910 -3.922 7.965 1.00 2.02 H new ATOM 0 HD22 ASN A 61 -8.592 -3.388 8.051 1.00 2.02 H new ATOM 921 N THR A 62 -9.923 -6.882 8.333 1.00 25.41 N ATOM 922 CA THR A 62 -10.357 -7.277 9.677 1.00 23.54 C ATOM 923 C THR A 62 -9.910 -6.315 10.795 1.00 53.42 C ATOM 924 O THR A 62 -10.023 -6.638 11.979 1.00 62.34 O ATOM 925 CB THR A 62 -9.893 -8.721 9.950 1.00 54.00 C ATOM 926 OG1 THR A 62 -8.479 -8.821 10.008 1.00 72.41 O ATOM 927 CG2 THR A 62 -10.390 -9.699 8.880 1.00 64.21 C ATOM 0 H THR A 62 -9.099 -7.391 8.013 1.00 25.41 H new ATOM 0 HA THR A 62 -11.446 -7.224 9.694 1.00 23.54 H new ATOM 0 HB THR A 62 -10.323 -8.985 10.916 1.00 54.00 H new ATOM 0 HG1 THR A 62 -8.224 -9.751 10.184 1.00 72.41 H new ATOM 0 HG21 THR A 62 -10.039 -10.704 9.114 1.00 64.21 H new ATOM 0 HG22 THR A 62 -11.480 -9.692 8.858 1.00 64.21 H new ATOM 0 HG23 THR A 62 -10.006 -9.398 7.905 1.00 64.21 H new ATOM 935 N SER A 63 -9.333 -5.162 10.456 1.00 5.23 N ATOM 936 CA SER A 63 -8.833 -4.180 11.409 1.00 62.21 C ATOM 937 C SER A 63 -8.804 -2.807 10.730 1.00 14.33 C ATOM 938 O SER A 63 -9.222 -2.675 9.580 1.00 61.21 O ATOM 939 CB SER A 63 -7.450 -4.642 11.901 1.00 32.13 C ATOM 940 OG SER A 63 -7.025 -3.904 13.034 1.00 10.12 O ATOM 0 H SER A 63 -9.199 -4.881 9.485 1.00 5.23 H new ATOM 0 HA SER A 63 -9.479 -4.092 12.283 1.00 62.21 H new ATOM 0 HB2 SER A 63 -7.488 -5.702 12.150 1.00 32.13 H new ATOM 0 HB3 SER A 63 -6.721 -4.529 11.098 1.00 32.13 H new ATOM 0 HG SER A 63 -6.144 -4.224 13.321 1.00 10.12 H new ATOM 946 N TYR A 64 -8.255 -1.801 11.413 1.00 2.43 N ATOM 947 CA TYR A 64 -8.032 -0.463 10.871 1.00 42.25 C ATOM 948 C TYR A 64 -6.559 -0.148 10.629 1.00 50.12 C ATOM 949 O TYR A 64 -6.219 0.831 9.967 1.00 33.34 O ATOM 950 CB TYR A 64 -8.785 0.569 11.716 1.00 1.34 C ATOM 951 CG TYR A 64 -10.284 0.462 11.491 1.00 61.15 C ATOM 952 CD1 TYR A 64 -10.848 1.024 10.328 1.00 14.30 C ATOM 953 CD2 TYR A 64 -11.091 -0.284 12.374 1.00 12.41 C ATOM 954 CE1 TYR A 64 -12.216 0.858 10.050 1.00 61.15 C ATOM 955 CE2 TYR A 64 -12.457 -0.480 12.094 1.00 44.14 C ATOM 956 CZ TYR A 64 -13.017 0.085 10.922 1.00 30.22 C ATOM 957 OH TYR A 64 -14.329 -0.107 10.624 1.00 62.52 O ATOM 0 H TYR A 64 -7.947 -1.898 12.380 1.00 2.43 H new ATOM 0 HA TYR A 64 -8.454 -0.416 9.867 1.00 42.25 H new ATOM 0 HB2 TYR A 64 -8.559 0.416 12.771 1.00 1.34 H new ATOM 0 HB3 TYR A 64 -8.445 1.573 11.460 1.00 1.34 H new ATOM 0 HD1 TYR A 64 -10.226 1.585 9.647 1.00 14.30 H new ATOM 0 HD2 TYR A 64 -10.660 -0.707 13.269 1.00 12.41 H new ATOM 0 HE1 TYR A 64 -12.653 1.318 9.176 1.00 61.15 H new ATOM 0 HE2 TYR A 64 -13.073 -1.057 12.768 1.00 44.14 H new ATOM 0 HH TYR A 64 -14.745 -0.660 11.318 1.00 62.52 H new ATOM 967 N LYS A 65 -5.666 -1.024 11.071 1.00 62.44 N ATOM 968 CA LYS A 65 -4.225 -0.801 11.062 1.00 41.33 C ATOM 969 C LYS A 65 -3.457 -2.023 10.597 1.00 30.34 C ATOM 970 O LYS A 65 -2.237 -1.962 10.503 1.00 62.52 O ATOM 971 CB LYS A 65 -3.776 -0.365 12.462 1.00 64.25 C ATOM 972 CG LYS A 65 -4.397 -1.263 13.538 1.00 53.04 C ATOM 973 CD LYS A 65 -3.641 -1.130 14.862 1.00 23.34 C ATOM 974 CE LYS A 65 -3.775 0.249 15.515 1.00 65.51 C ATOM 975 NZ LYS A 65 -2.961 0.306 16.742 1.00 32.31 N ATOM 0 H LYS A 65 -5.929 -1.931 11.455 1.00 62.44 H new ATOM 0 HA LYS A 65 -4.004 -0.011 10.345 1.00 41.33 H new ATOM 0 HB2 LYS A 65 -2.689 -0.408 12.530 1.00 64.25 H new ATOM 0 HB3 LYS A 65 -4.066 0.671 12.635 1.00 64.25 H new ATOM 0 HG2 LYS A 65 -5.443 -0.994 13.683 1.00 53.04 H new ATOM 0 HG3 LYS A 65 -4.378 -2.301 13.206 1.00 53.04 H new ATOM 0 HD2 LYS A 65 -4.006 -1.887 15.556 1.00 23.34 H new ATOM 0 HD3 LYS A 65 -2.585 -1.339 14.689 1.00 23.34 H new ATOM 0 HE2 LYS A 65 -3.453 1.023 14.819 1.00 65.51 H new ATOM 0 HE3 LYS A 65 -4.820 0.448 15.752 1.00 65.51 H new ATOM 0 HZ1 LYS A 65 -3.057 1.245 17.179 1.00 32.31 H new ATOM 0 HZ2 LYS A 65 -3.287 -0.422 17.409 1.00 32.31 H new ATOM 0 HZ3 LYS A 65 -1.963 0.135 16.505 1.00 32.31 H new ATOM 989 N GLU A 66 -4.142 -3.123 10.312 1.00 51.35 N ATOM 990 CA GLU A 66 -3.508 -4.386 10.015 1.00 72.53 C ATOM 991 C GLU A 66 -4.259 -5.054 8.886 1.00 2.34 C ATOM 992 O GLU A 66 -5.454 -4.811 8.709 1.00 50.04 O ATOM 993 CB GLU A 66 -3.520 -5.282 11.265 1.00 42.35 C ATOM 994 CG GLU A 66 -2.158 -5.256 11.963 1.00 34.32 C ATOM 995 CD GLU A 66 -2.151 -6.077 13.257 1.00 50.11 C ATOM 996 OE1 GLU A 66 -3.200 -6.144 13.942 1.00 64.32 O ATOM 997 OE2 GLU A 66 -1.116 -6.714 13.556 1.00 74.52 O ATOM 0 H GLU A 66 -5.161 -3.156 10.282 1.00 51.35 H new ATOM 0 HA GLU A 66 -2.472 -4.222 9.717 1.00 72.53 H new ATOM 0 HB2 GLU A 66 -4.294 -4.943 11.954 1.00 42.35 H new ATOM 0 HB3 GLU A 66 -3.770 -6.305 10.983 1.00 42.35 H new ATOM 0 HG2 GLU A 66 -1.398 -5.644 11.285 1.00 34.32 H new ATOM 0 HG3 GLU A 66 -1.888 -4.224 12.189 1.00 34.32 H new ATOM 1004 N PHE A 67 -3.549 -5.930 8.189 1.00 31.54 N ATOM 1005 CA PHE A 67 -4.096 -6.950 7.307 1.00 1.24 C ATOM 1006 C PHE A 67 -3.108 -8.112 7.280 1.00 1.11 C ATOM 1007 O PHE A 67 -1.910 -7.887 7.452 1.00 31.11 O ATOM 1008 CB PHE A 67 -4.267 -6.408 5.884 1.00 62.51 C ATOM 1009 CG PHE A 67 -4.867 -7.439 4.940 1.00 51.22 C ATOM 1010 CD1 PHE A 67 -6.145 -7.984 5.183 1.00 0.23 C ATOM 1011 CD2 PHE A 67 -4.098 -7.936 3.872 1.00 35.20 C ATOM 1012 CE1 PHE A 67 -6.638 -9.030 4.382 1.00 23.23 C ATOM 1013 CE2 PHE A 67 -4.584 -8.995 3.089 1.00 35.51 C ATOM 1014 CZ PHE A 67 -5.839 -9.564 3.359 1.00 41.02 C ATOM 0 H PHE A 67 -2.530 -5.949 8.225 1.00 31.54 H new ATOM 0 HA PHE A 67 -5.074 -7.264 7.672 1.00 1.24 H new ATOM 0 HB2 PHE A 67 -4.907 -5.526 5.908 1.00 62.51 H new ATOM 0 HB3 PHE A 67 -3.298 -6.089 5.501 1.00 62.51 H new ATOM 0 HD1 PHE A 67 -6.749 -7.596 5.990 1.00 0.23 H new ATOM 0 HD2 PHE A 67 -3.133 -7.503 3.654 1.00 35.20 H new ATOM 0 HE1 PHE A 67 -7.630 -9.422 4.554 1.00 23.23 H new ATOM 0 HE2 PHE A 67 -3.988 -9.375 2.273 1.00 35.51 H new ATOM 0 HZ PHE A 67 -6.188 -10.408 2.783 1.00 41.02 H new ATOM 1024 N ASP A 68 -3.566 -9.336 7.046 1.00 24.54 N ATOM 1025 CA ASP A 68 -2.788 -10.552 6.949 1.00 71.44 C ATOM 1026 C ASP A 68 -3.431 -11.442 5.887 1.00 32.42 C ATOM 1027 O ASP A 68 -4.380 -12.183 6.146 1.00 20.24 O ATOM 1028 CB ASP A 68 -2.652 -11.234 8.317 1.00 73.24 C ATOM 1029 CG ASP A 68 -3.880 -11.173 9.232 1.00 43.35 C ATOM 1030 OD1 ASP A 68 -4.086 -10.117 9.882 1.00 1.04 O ATOM 1031 OD2 ASP A 68 -4.638 -12.160 9.326 1.00 11.22 O ATOM 0 H ASP A 68 -4.562 -9.510 6.910 1.00 24.54 H new ATOM 0 HA ASP A 68 -1.766 -10.333 6.640 1.00 71.44 H new ATOM 0 HB2 ASP A 68 -2.399 -12.282 8.153 1.00 73.24 H new ATOM 0 HB3 ASP A 68 -1.811 -10.782 8.843 1.00 73.24 H new ATOM 1036 N GLY A 69 -2.909 -11.344 4.665 1.00 44.21 N ATOM 1037 CA GLY A 69 -3.378 -12.034 3.463 1.00 1.40 C ATOM 1038 C GLY A 69 -2.596 -13.306 3.158 1.00 11.02 C ATOM 1039 O GLY A 69 -2.459 -13.685 1.993 1.00 75.35 O ATOM 0 H GLY A 69 -2.103 -10.748 4.476 1.00 44.21 H new ATOM 0 HA2 GLY A 69 -4.432 -12.283 3.583 1.00 1.40 H new ATOM 0 HA3 GLY A 69 -3.305 -11.357 2.612 1.00 1.40 H new ATOM 1043 N GLY A 70 -2.012 -13.939 4.174 1.00 34.53 N ATOM 1044 CA GLY A 70 -1.239 -15.161 4.035 1.00 3.24 C ATOM 1045 C GLY A 70 0.176 -14.850 3.565 1.00 75.52 C ATOM 1046 O GLY A 70 1.099 -14.886 4.378 1.00 20.31 O ATOM 0 H GLY A 70 -2.067 -13.605 5.136 1.00 34.53 H new ATOM 0 HA2 GLY A 70 -1.204 -15.686 4.990 1.00 3.24 H new ATOM 0 HA3 GLY A 70 -1.726 -15.827 3.323 1.00 3.24 H new ATOM 1050 N TRP A 71 0.393 -14.561 2.279 1.00 75.14 N ATOM 1051 CA TRP A 71 1.721 -14.193 1.771 1.00 2.01 C ATOM 1052 C TRP A 71 2.001 -12.692 1.912 1.00 31.21 C ATOM 1053 O TRP A 71 3.098 -12.236 1.588 1.00 1.22 O ATOM 1054 CB TRP A 71 1.899 -14.649 0.316 1.00 33.24 C ATOM 1055 CG TRP A 71 0.998 -14.047 -0.710 1.00 74.41 C ATOM 1056 CD1 TRP A 71 -0.198 -14.557 -1.058 1.00 41.14 C ATOM 1057 CD2 TRP A 71 1.211 -12.897 -1.589 1.00 14.22 C ATOM 1058 NE1 TRP A 71 -0.721 -13.838 -2.105 1.00 3.02 N ATOM 1059 CE2 TRP A 71 0.103 -12.808 -2.480 1.00 60.53 C ATOM 1060 CE3 TRP A 71 2.233 -11.940 -1.760 1.00 53.14 C ATOM 1061 CZ2 TRP A 71 0.013 -11.843 -3.490 1.00 15.03 C ATOM 1062 CZ3 TRP A 71 2.155 -10.962 -2.774 1.00 4.02 C ATOM 1063 CH2 TRP A 71 1.062 -10.928 -3.653 1.00 1.32 C ATOM 0 H TRP A 71 -0.337 -14.574 1.566 1.00 75.14 H new ATOM 0 HA TRP A 71 2.453 -14.714 2.388 1.00 2.01 H new ATOM 0 HB2 TRP A 71 2.928 -14.443 0.022 1.00 33.24 H new ATOM 0 HB3 TRP A 71 1.769 -15.731 0.284 1.00 33.24 H new ATOM 0 HD1 TRP A 71 -0.674 -15.403 -0.586 1.00 41.14 H new ATOM 0 HE1 TRP A 71 -1.615 -14.045 -2.550 1.00 3.02 H new ATOM 0 HE3 TRP A 71 3.090 -11.956 -1.103 1.00 53.14 H new ATOM 0 HZ2 TRP A 71 -0.853 -11.804 -4.135 1.00 15.03 H new ATOM 0 HZ3 TRP A 71 2.945 -10.232 -2.875 1.00 4.02 H new ATOM 0 HH2 TRP A 71 1.029 -10.201 -4.451 1.00 1.32 H new ATOM 1074 N TYR A 72 1.028 -11.918 2.392 1.00 2.22 N ATOM 1075 CA TYR A 72 1.051 -10.470 2.429 1.00 4.10 C ATOM 1076 C TYR A 72 0.578 -10.054 3.816 1.00 34.44 C ATOM 1077 O TYR A 72 -0.138 -10.802 4.490 1.00 62.41 O ATOM 1078 CB TYR A 72 0.150 -9.932 1.312 1.00 74.11 C ATOM 1079 CG TYR A 72 0.362 -8.468 0.984 1.00 43.15 C ATOM 1080 CD1 TYR A 72 1.331 -8.100 0.030 1.00 62.14 C ATOM 1081 CD2 TYR A 72 -0.425 -7.477 1.599 1.00 52.25 C ATOM 1082 CE1 TYR A 72 1.534 -6.747 -0.293 1.00 43.45 C ATOM 1083 CE2 TYR A 72 -0.237 -6.125 1.269 1.00 12.01 C ATOM 1084 CZ TYR A 72 0.755 -5.755 0.339 1.00 13.24 C ATOM 1085 OH TYR A 72 0.931 -4.440 0.053 1.00 44.04 O ATOM 0 H TYR A 72 0.169 -12.307 2.780 1.00 2.22 H new ATOM 0 HA TYR A 72 2.047 -10.061 2.259 1.00 4.10 H new ATOM 0 HB2 TYR A 72 0.319 -10.521 0.411 1.00 74.11 H new ATOM 0 HB3 TYR A 72 -0.891 -10.080 1.599 1.00 74.11 H new ATOM 0 HD1 TYR A 72 1.922 -8.862 -0.456 1.00 62.14 H new ATOM 0 HD2 TYR A 72 -1.174 -7.756 2.325 1.00 52.25 H new ATOM 0 HE1 TYR A 72 2.282 -6.469 -1.021 1.00 43.45 H new ATOM 0 HE2 TYR A 72 -0.854 -5.367 1.729 1.00 12.01 H new ATOM 0 HH TYR A 72 1.066 -4.330 -0.911 1.00 44.04 H new ATOM 1095 N LEU A 73 1.005 -8.882 4.264 1.00 31.30 N ATOM 1096 CA LEU A 73 0.947 -8.439 5.651 1.00 64.11 C ATOM 1097 C LEU A 73 1.021 -6.914 5.631 1.00 72.52 C ATOM 1098 O LEU A 73 1.907 -6.380 4.956 1.00 2.02 O ATOM 1099 CB LEU A 73 2.169 -9.007 6.423 1.00 60.22 C ATOM 1100 CG LEU A 73 1.903 -9.758 7.741 1.00 52.41 C ATOM 1101 CD1 LEU A 73 0.794 -9.148 8.588 1.00 74.24 C ATOM 1102 CD2 LEU A 73 1.573 -11.230 7.480 1.00 1.20 C ATOM 0 H LEU A 73 1.419 -8.184 3.646 1.00 31.30 H new ATOM 0 HA LEU A 73 0.035 -8.782 6.139 1.00 64.11 H new ATOM 0 HB2 LEU A 73 2.702 -9.683 5.755 1.00 60.22 H new ATOM 0 HB3 LEU A 73 2.842 -8.178 6.641 1.00 60.22 H new ATOM 0 HG LEU A 73 2.831 -9.670 8.307 1.00 52.41 H new ATOM 0 HD11 LEU A 73 0.668 -9.734 9.499 1.00 74.24 H new ATOM 0 HD12 LEU A 73 1.058 -8.123 8.849 1.00 74.24 H new ATOM 0 HD13 LEU A 73 -0.138 -9.150 8.023 1.00 74.24 H new ATOM 0 HD21 LEU A 73 1.390 -11.735 8.428 1.00 1.20 H new ATOM 0 HD22 LEU A 73 0.683 -11.298 6.855 1.00 1.20 H new ATOM 0 HD23 LEU A 73 2.411 -11.706 6.971 1.00 1.20 H new ATOM 1114 N VAL A 74 0.147 -6.226 6.362 1.00 2.21 N ATOM 1115 CA VAL A 74 0.138 -4.766 6.500 1.00 52.43 C ATOM 1116 C VAL A 74 0.106 -4.435 7.991 1.00 23.50 C ATOM 1117 O VAL A 74 -0.574 -5.144 8.733 1.00 10.24 O ATOM 1118 CB VAL A 74 -1.055 -4.126 5.742 1.00 10.30 C ATOM 1119 CG1 VAL A 74 -0.842 -2.619 5.614 1.00 72.32 C ATOM 1120 CG2 VAL A 74 -1.199 -4.680 4.316 1.00 63.53 C ATOM 0 H VAL A 74 -0.598 -6.679 6.891 1.00 2.21 H new ATOM 0 HA VAL A 74 1.037 -4.346 6.049 1.00 52.43 H new ATOM 0 HB VAL A 74 -1.951 -4.361 6.317 1.00 10.30 H new ATOM 0 HG11 VAL A 74 -1.683 -2.177 5.081 1.00 72.32 H new ATOM 0 HG12 VAL A 74 -0.769 -2.176 6.607 1.00 72.32 H new ATOM 0 HG13 VAL A 74 0.078 -2.427 5.062 1.00 72.32 H new ATOM 0 HG21 VAL A 74 -2.047 -4.203 3.824 1.00 63.53 H new ATOM 0 HG22 VAL A 74 -0.289 -4.474 3.752 1.00 63.53 H new ATOM 0 HG23 VAL A 74 -1.363 -5.757 4.359 1.00 63.53 H new ATOM 1130 N LYS A 75 0.833 -3.394 8.424 1.00 30.20 N ATOM 1131 CA LYS A 75 0.898 -2.910 9.810 1.00 74.31 C ATOM 1132 C LYS A 75 1.084 -1.390 9.791 1.00 10.00 C ATOM 1133 O LYS A 75 2.030 -0.927 9.152 1.00 54.41 O ATOM 1134 CB LYS A 75 2.068 -3.597 10.551 1.00 51.12 C ATOM 1135 CG LYS A 75 1.622 -4.852 11.324 1.00 12.12 C ATOM 1136 CD LYS A 75 2.749 -5.846 11.648 1.00 70.23 C ATOM 1137 CE LYS A 75 3.132 -6.694 10.421 1.00 54.25 C ATOM 1138 NZ LYS A 75 4.063 -7.790 10.771 1.00 73.23 N ATOM 0 H LYS A 75 1.415 -2.844 7.792 1.00 30.20 H new ATOM 0 HA LYS A 75 -0.025 -3.152 10.337 1.00 74.31 H new ATOM 0 HB2 LYS A 75 2.838 -3.873 9.830 1.00 51.12 H new ATOM 0 HB3 LYS A 75 2.520 -2.888 11.245 1.00 51.12 H new ATOM 0 HG2 LYS A 75 1.154 -4.539 12.257 1.00 12.12 H new ATOM 0 HG3 LYS A 75 0.859 -5.368 10.742 1.00 12.12 H new ATOM 0 HD2 LYS A 75 3.624 -5.301 12.001 1.00 70.23 H new ATOM 0 HD3 LYS A 75 2.433 -6.502 12.459 1.00 70.23 H new ATOM 0 HE2 LYS A 75 2.230 -7.113 9.975 1.00 54.25 H new ATOM 0 HE3 LYS A 75 3.592 -6.054 9.668 1.00 54.25 H new ATOM 0 HZ1 LYS A 75 4.294 -8.335 9.916 1.00 73.23 H new ATOM 0 HZ2 LYS A 75 4.935 -7.390 11.173 1.00 73.23 H new ATOM 0 HZ3 LYS A 75 3.615 -8.416 11.470 1.00 73.23 H new ATOM 1152 N ILE A 76 0.203 -0.628 10.446 1.00 51.34 N ATOM 1153 CA ILE A 76 0.324 0.805 10.724 1.00 11.11 C ATOM 1154 C ILE A 76 0.757 0.927 12.189 1.00 2.32 C ATOM 1155 O ILE A 76 0.091 0.403 13.082 1.00 1.04 O ATOM 1156 CB ILE A 76 -1.006 1.577 10.458 1.00 33.20 C ATOM 1157 CG1 ILE A 76 -1.462 1.473 8.986 1.00 53.24 C ATOM 1158 CG2 ILE A 76 -0.841 3.067 10.831 1.00 41.35 C ATOM 1159 CD1 ILE A 76 -2.828 2.103 8.672 1.00 72.11 C ATOM 0 H ILE A 76 -0.663 -1.018 10.817 1.00 51.34 H new ATOM 0 HA ILE A 76 1.056 1.258 10.056 1.00 11.11 H new ATOM 0 HB ILE A 76 -1.771 1.113 11.081 1.00 33.20 H new ATOM 0 HG12 ILE A 76 -0.709 1.947 8.356 1.00 53.24 H new ATOM 0 HG13 ILE A 76 -1.494 0.420 8.707 1.00 53.24 H new ATOM 0 HG21 ILE A 76 -1.775 3.595 10.641 1.00 41.35 H new ATOM 0 HG22 ILE A 76 -0.585 3.151 11.887 1.00 41.35 H new ATOM 0 HG23 ILE A 76 -0.046 3.507 10.228 1.00 41.35 H new ATOM 0 HD11 ILE A 76 -3.053 1.975 7.613 1.00 72.11 H new ATOM 0 HD12 ILE A 76 -3.599 1.615 9.268 1.00 72.11 H new ATOM 0 HD13 ILE A 76 -2.802 3.166 8.912 1.00 72.11 H new ATOM 1171 N GLU A 77 1.845 1.653 12.442 1.00 12.23 N ATOM 1172 CA GLU A 77 2.343 2.007 13.758 1.00 10.42 C ATOM 1173 C GLU A 77 2.399 3.530 13.841 1.00 73.51 C ATOM 1174 O GLU A 77 3.431 4.155 13.581 1.00 45.21 O ATOM 1175 CB GLU A 77 3.719 1.388 13.989 1.00 43.11 C ATOM 1176 CG GLU A 77 3.682 -0.139 13.960 1.00 53.11 C ATOM 1177 CD GLU A 77 4.879 -0.702 14.708 1.00 25.14 C ATOM 1178 OE1 GLU A 77 4.763 -0.968 15.924 1.00 65.12 O ATOM 1179 OE2 GLU A 77 5.917 -0.997 14.073 1.00 61.52 O ATOM 0 H GLU A 77 2.428 2.026 11.693 1.00 12.23 H new ATOM 0 HA GLU A 77 1.684 1.621 14.535 1.00 10.42 H new ATOM 0 HB2 GLU A 77 4.409 1.747 13.225 1.00 43.11 H new ATOM 0 HB3 GLU A 77 4.108 1.721 14.951 1.00 43.11 H new ATOM 0 HG2 GLU A 77 2.758 -0.497 14.414 1.00 53.11 H new ATOM 0 HG3 GLU A 77 3.688 -0.492 12.929 1.00 53.11 H new ATOM 1186 N ASP A 78 1.259 4.116 14.190 1.00 32.14 N ATOM 1187 CA ASP A 78 0.932 5.542 14.189 1.00 14.00 C ATOM 1188 C ASP A 78 1.090 6.151 12.808 1.00 4.04 C ATOM 1189 O ASP A 78 0.107 6.357 12.097 1.00 71.13 O ATOM 1190 CB ASP A 78 1.697 6.339 15.264 1.00 61.41 C ATOM 1191 CG ASP A 78 0.753 6.650 16.414 1.00 43.21 C ATOM 1192 OD1 ASP A 78 -0.066 7.587 16.297 1.00 65.51 O ATOM 1193 OD2 ASP A 78 0.794 5.915 17.429 1.00 74.54 O ATOM 0 H ASP A 78 0.468 3.557 14.510 1.00 32.14 H new ATOM 0 HA ASP A 78 -0.121 5.614 14.460 1.00 14.00 H new ATOM 0 HB2 ASP A 78 2.551 5.764 15.623 1.00 61.41 H new ATOM 0 HB3 ASP A 78 2.090 7.263 14.839 1.00 61.41 H new ATOM 1198 N ASN A 79 2.339 6.427 12.444 1.00 43.31 N ATOM 1199 CA ASN A 79 2.735 7.168 11.269 1.00 3.31 C ATOM 1200 C ASN A 79 3.696 6.369 10.396 1.00 51.04 C ATOM 1201 O ASN A 79 4.130 6.880 9.368 1.00 62.42 O ATOM 1202 CB ASN A 79 3.302 8.541 11.670 1.00 52.31 C ATOM 1203 CG ASN A 79 4.807 8.598 11.875 1.00 5.24 C ATOM 1204 OD1 ASN A 79 5.420 7.770 12.544 1.00 34.13 O ATOM 1205 ND2 ASN A 79 5.453 9.618 11.349 1.00 22.34 N ATOM 0 H ASN A 79 3.139 6.119 12.997 1.00 43.31 H new ATOM 0 HA ASN A 79 1.850 7.345 10.657 1.00 3.31 H new ATOM 0 HB2 ASN A 79 3.031 9.264 10.901 1.00 52.31 H new ATOM 0 HB3 ASN A 79 2.816 8.859 12.592 1.00 52.31 H new ATOM 0 HD21 ASN A 79 6.457 9.717 11.498 1.00 22.34 H new ATOM 0 HD22 ASN A 79 4.949 10.309 10.793 1.00 22.34 H new ATOM 1212 N GLU A 80 4.011 5.125 10.752 1.00 10.11 N ATOM 1213 CA GLU A 80 4.790 4.226 9.918 1.00 52.32 C ATOM 1214 C GLU A 80 3.876 3.110 9.455 1.00 73.44 C ATOM 1215 O GLU A 80 3.487 2.266 10.256 1.00 74.52 O ATOM 1216 CB GLU A 80 6.001 3.684 10.687 1.00 62.35 C ATOM 1217 CG GLU A 80 7.038 4.787 10.893 1.00 65.13 C ATOM 1218 CD GLU A 80 8.393 4.248 11.339 1.00 51.24 C ATOM 1219 OE1 GLU A 80 8.493 3.683 12.451 1.00 42.12 O ATOM 1220 OE2 GLU A 80 9.394 4.519 10.644 1.00 24.44 O ATOM 0 H GLU A 80 3.726 4.712 11.640 1.00 10.11 H new ATOM 0 HA GLU A 80 5.184 4.757 9.051 1.00 52.32 H new ATOM 0 HB2 GLU A 80 5.681 3.292 11.652 1.00 62.35 H new ATOM 0 HB3 GLU A 80 6.447 2.855 10.138 1.00 62.35 H new ATOM 0 HG2 GLU A 80 7.161 5.342 9.963 1.00 65.13 H new ATOM 0 HG3 GLU A 80 6.669 5.492 11.638 1.00 65.13 H new ATOM 1227 N LEU A 81 3.517 3.112 8.174 1.00 64.54 N ATOM 1228 CA LEU A 81 2.850 1.996 7.522 1.00 65.33 C ATOM 1229 C LEU A 81 3.925 1.132 6.879 1.00 31.44 C ATOM 1230 O LEU A 81 4.875 1.648 6.289 1.00 72.44 O ATOM 1231 CB LEU A 81 1.820 2.552 6.528 1.00 21.54 C ATOM 1232 CG LEU A 81 1.022 1.564 5.657 1.00 63.52 C ATOM 1233 CD1 LEU A 81 1.683 1.223 4.321 1.00 53.43 C ATOM 1234 CD2 LEU A 81 0.592 0.277 6.356 1.00 11.41 C ATOM 0 H LEU A 81 3.685 3.903 7.553 1.00 64.54 H new ATOM 0 HA LEU A 81 2.296 1.367 8.219 1.00 65.33 H new ATOM 0 HB2 LEU A 81 1.103 3.147 7.094 1.00 21.54 H new ATOM 0 HB3 LEU A 81 2.343 3.235 5.858 1.00 21.54 H new ATOM 0 HG LEU A 81 0.118 2.138 5.454 1.00 63.52 H new ATOM 0 HD11 LEU A 81 1.054 0.522 3.772 1.00 53.43 H new ATOM 0 HD12 LEU A 81 1.809 2.133 3.735 1.00 53.43 H new ATOM 0 HD13 LEU A 81 2.658 0.770 4.502 1.00 53.43 H new ATOM 0 HD21 LEU A 81 0.037 -0.349 5.657 1.00 11.41 H new ATOM 0 HD22 LEU A 81 1.474 -0.261 6.703 1.00 11.41 H new ATOM 0 HD23 LEU A 81 -0.043 0.520 7.208 1.00 11.41 H new ATOM 1246 N LYS A 82 3.808 -0.183 7.023 1.00 33.52 N ATOM 1247 CA LYS A 82 4.731 -1.161 6.480 1.00 24.41 C ATOM 1248 C LYS A 82 3.968 -2.227 5.726 1.00 3.14 C ATOM 1249 O LYS A 82 2.837 -2.550 6.096 1.00 72.25 O ATOM 1250 CB LYS A 82 5.494 -1.865 7.604 1.00 32.44 C ATOM 1251 CG LYS A 82 6.205 -0.941 8.589 1.00 21.44 C ATOM 1252 CD LYS A 82 5.369 -0.517 9.804 1.00 12.12 C ATOM 1253 CE LYS A 82 6.241 0.081 10.916 1.00 65.21 C ATOM 1254 NZ LYS A 82 7.118 -0.932 11.542 1.00 30.12 N ATOM 0 H LYS A 82 3.039 -0.608 7.540 1.00 33.52 H new ATOM 0 HA LYS A 82 5.422 -0.633 5.823 1.00 24.41 H new ATOM 0 HB2 LYS A 82 4.795 -2.491 8.159 1.00 32.44 H new ATOM 0 HB3 LYS A 82 6.233 -2.531 7.158 1.00 32.44 H new ATOM 0 HG2 LYS A 82 7.107 -1.439 8.944 1.00 21.44 H new ATOM 0 HG3 LYS A 82 6.524 -0.045 8.057 1.00 21.44 H new ATOM 0 HD2 LYS A 82 4.623 0.215 9.494 1.00 12.12 H new ATOM 0 HD3 LYS A 82 4.827 -1.380 10.191 1.00 12.12 H new ATOM 0 HE2 LYS A 82 6.852 0.884 10.504 1.00 65.21 H new ATOM 0 HE3 LYS A 82 5.601 0.526 11.678 1.00 65.21 H new ATOM 0 HZ1 LYS A 82 6.855 -1.049 12.541 1.00 30.12 H new ATOM 0 HZ2 LYS A 82 7.009 -1.840 11.046 1.00 30.12 H new ATOM 0 HZ3 LYS A 82 8.108 -0.620 11.479 1.00 30.12 H new ATOM 1268 N VAL A 83 4.640 -2.859 4.771 1.00 44.12 N ATOM 1269 CA VAL A 83 4.227 -4.143 4.232 1.00 34.13 C ATOM 1270 C VAL A 83 5.473 -5.030 4.191 1.00 51.45 C ATOM 1271 O VAL A 83 6.576 -4.528 3.956 1.00 3.30 O ATOM 1272 CB VAL A 83 3.518 -3.981 2.866 1.00 41.35 C ATOM 1273 CG1 VAL A 83 2.419 -2.905 2.892 1.00 74.51 C ATOM 1274 CG2 VAL A 83 4.479 -3.673 1.711 1.00 54.31 C ATOM 0 H VAL A 83 5.492 -2.490 4.348 1.00 44.12 H new ATOM 0 HA VAL A 83 3.477 -4.622 4.862 1.00 34.13 H new ATOM 0 HB VAL A 83 3.064 -4.956 2.686 1.00 41.35 H new ATOM 0 HG11 VAL A 83 1.956 -2.834 1.908 1.00 74.51 H new ATOM 0 HG12 VAL A 83 1.664 -3.174 3.630 1.00 74.51 H new ATOM 0 HG13 VAL A 83 2.858 -1.943 3.156 1.00 74.51 H new ATOM 0 HG21 VAL A 83 3.914 -3.572 0.784 1.00 54.31 H new ATOM 0 HG22 VAL A 83 5.008 -2.742 1.916 1.00 54.31 H new ATOM 0 HG23 VAL A 83 5.199 -4.485 1.610 1.00 54.31 H new ATOM 1284 N ILE A 84 5.316 -6.331 4.433 1.00 4.42 N ATOM 1285 CA ILE A 84 6.367 -7.335 4.353 1.00 13.13 C ATOM 1286 C ILE A 84 5.779 -8.513 3.575 1.00 41.02 C ATOM 1287 O ILE A 84 4.718 -9.029 3.936 1.00 75.35 O ATOM 1288 CB ILE A 84 6.892 -7.724 5.756 1.00 42.44 C ATOM 1289 CG1 ILE A 84 7.202 -6.502 6.658 1.00 45.45 C ATOM 1290 CG2 ILE A 84 8.181 -8.549 5.578 1.00 74.21 C ATOM 1291 CD1 ILE A 84 6.028 -6.042 7.538 1.00 54.13 C ATOM 0 H ILE A 84 4.415 -6.727 4.701 1.00 4.42 H new ATOM 0 HA ILE A 84 7.247 -6.954 3.834 1.00 13.13 H new ATOM 0 HB ILE A 84 6.106 -8.293 6.252 1.00 42.44 H new ATOM 0 HG12 ILE A 84 8.047 -6.747 7.301 1.00 45.45 H new ATOM 0 HG13 ILE A 84 7.513 -5.670 6.026 1.00 45.45 H new ATOM 0 HG21 ILE A 84 8.569 -8.834 6.556 1.00 74.21 H new ATOM 0 HG22 ILE A 84 7.962 -9.446 4.999 1.00 74.21 H new ATOM 0 HG23 ILE A 84 8.926 -7.951 5.053 1.00 74.21 H new ATOM 0 HD11 ILE A 84 6.335 -5.183 8.135 1.00 54.13 H new ATOM 0 HD12 ILE A 84 5.187 -5.761 6.904 1.00 54.13 H new ATOM 0 HD13 ILE A 84 5.729 -6.855 8.200 1.00 54.13 H new ATOM 1303 N ILE A 85 6.400 -8.864 2.450 1.00 33.33 N ATOM 1304 CA ILE A 85 5.826 -9.692 1.394 1.00 14.04 C ATOM 1305 C ILE A 85 6.632 -10.991 1.322 1.00 61.35 C ATOM 1306 O ILE A 85 7.860 -10.944 1.242 1.00 52.01 O ATOM 1307 CB ILE A 85 5.842 -8.904 0.059 1.00 34.11 C ATOM 1308 CG1 ILE A 85 5.144 -7.529 0.204 1.00 51.23 C ATOM 1309 CG2 ILE A 85 5.158 -9.725 -1.047 1.00 55.24 C ATOM 1310 CD1 ILE A 85 5.185 -6.652 -1.050 1.00 2.32 C ATOM 0 H ILE A 85 7.354 -8.567 2.242 1.00 33.33 H new ATOM 0 HA ILE A 85 4.786 -9.946 1.600 1.00 14.04 H new ATOM 0 HB ILE A 85 6.883 -8.727 -0.212 1.00 34.11 H new ATOM 0 HG12 ILE A 85 4.103 -7.694 0.481 1.00 51.23 H new ATOM 0 HG13 ILE A 85 5.611 -6.985 1.026 1.00 51.23 H new ATOM 0 HG21 ILE A 85 5.175 -9.163 -1.981 1.00 55.24 H new ATOM 0 HG22 ILE A 85 5.689 -10.667 -1.182 1.00 55.24 H new ATOM 0 HG23 ILE A 85 4.125 -9.928 -0.764 1.00 55.24 H new ATOM 0 HD11 ILE A 85 4.672 -5.711 -0.853 1.00 2.32 H new ATOM 0 HD12 ILE A 85 6.222 -6.450 -1.319 1.00 2.32 H new ATOM 0 HD13 ILE A 85 4.691 -7.169 -1.872 1.00 2.32 H new ATOM 1322 N ASN A 86 5.943 -12.137 1.350 1.00 63.41 N ATOM 1323 CA ASN A 86 6.576 -13.452 1.240 1.00 2.10 C ATOM 1324 C ASN A 86 6.993 -13.724 -0.204 1.00 72.31 C ATOM 1325 O ASN A 86 6.495 -13.113 -1.155 1.00 53.11 O ATOM 1326 CB ASN A 86 5.639 -14.594 1.671 1.00 31.10 C ATOM 1327 CG ASN A 86 5.462 -14.741 3.170 1.00 54.41 C ATOM 1328 OD1 ASN A 86 5.759 -15.793 3.724 1.00 14.10 O ATOM 1329 ND2 ASN A 86 4.966 -13.724 3.848 1.00 20.33 N ATOM 0 H ASN A 86 4.929 -12.177 1.450 1.00 63.41 H new ATOM 0 HA ASN A 86 7.440 -13.428 1.904 1.00 2.10 H new ATOM 0 HB2 ASN A 86 4.661 -14.433 1.218 1.00 31.10 H new ATOM 0 HB3 ASN A 86 6.025 -15.532 1.271 1.00 31.10 H new ATOM 0 HD21 ASN A 86 4.822 -13.804 4.855 1.00 20.33 H new ATOM 0 HD22 ASN A 86 4.726 -12.858 3.366 1.00 20.33 H new ATOM 1336 N ARG A 87 7.845 -14.736 -0.368 1.00 34.11 N ATOM 1337 CA ARG A 87 8.269 -15.219 -1.667 1.00 12.20 C ATOM 1338 C ARG A 87 7.121 -15.966 -2.332 1.00 63.54 C ATOM 1339 O ARG A 87 6.562 -16.897 -1.748 1.00 64.51 O ATOM 1340 CB ARG A 87 9.570 -16.036 -1.571 1.00 64.12 C ATOM 1341 CG ARG A 87 9.909 -16.772 -2.870 1.00 13.11 C ATOM 1342 CD ARG A 87 9.454 -18.237 -2.890 1.00 44.02 C ATOM 1343 NE ARG A 87 10.561 -19.201 -2.871 1.00 35.30 N ATOM 1344 CZ ARG A 87 11.457 -19.466 -1.919 1.00 74.34 C ATOM 1345 NH1 ARG A 87 11.482 -18.790 -0.771 1.00 62.51 N ATOM 1346 NH2 ARG A 87 12.324 -20.437 -2.161 1.00 0.41 N ATOM 0 H ARG A 87 8.261 -15.245 0.412 1.00 34.11 H new ATOM 0 HA ARG A 87 8.516 -14.373 -2.308 1.00 12.20 H new ATOM 0 HB2 ARG A 87 10.393 -15.370 -1.311 1.00 64.12 H new ATOM 0 HB3 ARG A 87 9.479 -16.761 -0.762 1.00 64.12 H new ATOM 0 HG2 ARG A 87 9.446 -16.246 -3.705 1.00 13.11 H new ATOM 0 HG3 ARG A 87 10.987 -16.734 -3.027 1.00 13.11 H new ATOM 0 HD2 ARG A 87 8.810 -18.420 -2.029 1.00 44.02 H new ATOM 0 HD3 ARG A 87 8.851 -18.408 -3.781 1.00 44.02 H new ATOM 0 HE ARG A 87 10.661 -19.756 -3.721 1.00 35.30 H new ATOM 0 HH11 ARG A 87 10.804 -18.047 -0.602 1.00 62.51 H new ATOM 0 HH12 ARG A 87 12.179 -19.015 -0.062 1.00 62.51 H new ATOM 0 HH21 ARG A 87 12.287 -20.945 -3.045 1.00 0.41 H new ATOM 0 HH22 ARG A 87 13.029 -20.677 -1.464 1.00 0.41 H new ATOM 1360 N ASN A 88 6.824 -15.573 -3.564 1.00 43.41 N ATOM 1361 CA ASN A 88 6.020 -16.311 -4.516 1.00 15.43 C ATOM 1362 C ASN A 88 6.815 -17.499 -5.018 1.00 72.23 C ATOM 1363 O ASN A 88 7.839 -17.296 -5.664 1.00 1.21 O ATOM 1364 CB ASN A 88 5.728 -15.410 -5.719 1.00 24.50 C ATOM 1365 CG ASN A 88 4.861 -16.069 -6.760 1.00 54.15 C ATOM 1366 OD1 ASN A 88 4.190 -17.068 -6.543 1.00 2.21 O ATOM 1367 ND2 ASN A 88 4.764 -15.433 -7.898 1.00 22.33 N ATOM 0 H ASN A 88 7.157 -14.685 -3.940 1.00 43.41 H new ATOM 0 HA ASN A 88 5.096 -16.637 -4.038 1.00 15.43 H new ATOM 0 HB2 ASN A 88 5.239 -14.500 -5.372 1.00 24.50 H new ATOM 0 HB3 ASN A 88 6.671 -15.111 -6.177 1.00 24.50 H new ATOM 0 HD21 ASN A 88 4.123 -15.769 -8.617 1.00 22.33 H new ATOM 0 HD22 ASN A 88 5.329 -14.601 -8.067 1.00 22.33 H new ATOM 1374 N GLU A 89 6.365 -18.718 -4.747 1.00 43.02 N ATOM 1375 CA GLU A 89 6.983 -19.930 -5.270 1.00 23.51 C ATOM 1376 C GLU A 89 6.204 -20.460 -6.474 1.00 51.15 C ATOM 1377 O GLU A 89 6.545 -21.518 -7.010 1.00 31.50 O ATOM 1378 CB GLU A 89 7.171 -20.967 -4.152 1.00 73.33 C ATOM 1379 CG GLU A 89 5.918 -21.296 -3.337 1.00 20.22 C ATOM 1380 CD GLU A 89 6.215 -22.420 -2.343 1.00 61.25 C ATOM 1381 OE1 GLU A 89 7.220 -22.328 -1.599 1.00 63.44 O ATOM 1382 OE2 GLU A 89 5.452 -23.411 -2.321 1.00 74.52 O ATOM 0 H GLU A 89 5.555 -18.895 -4.153 1.00 43.02 H new ATOM 0 HA GLU A 89 7.982 -19.696 -5.638 1.00 23.51 H new ATOM 0 HB2 GLU A 89 7.546 -21.889 -4.596 1.00 73.33 H new ATOM 0 HB3 GLU A 89 7.941 -20.605 -3.471 1.00 73.33 H new ATOM 0 HG2 GLU A 89 5.579 -20.408 -2.803 1.00 20.22 H new ATOM 0 HG3 GLU A 89 5.109 -21.595 -4.004 1.00 20.22 H new ATOM 1389 N THR A 90 5.179 -19.733 -6.931 1.00 20.13 N ATOM 1390 CA THR A 90 4.403 -20.101 -8.096 1.00 12.03 C ATOM 1391 C THR A 90 4.837 -19.364 -9.358 1.00 41.32 C ATOM 1392 O THR A 90 5.237 -18.200 -9.371 1.00 73.53 O ATOM 1393 CB THR A 90 2.887 -20.004 -7.831 1.00 23.43 C ATOM 1394 OG1 THR A 90 2.474 -18.994 -6.921 1.00 53.43 O ATOM 1395 CG2 THR A 90 2.437 -21.340 -7.253 1.00 63.34 C ATOM 0 H THR A 90 4.870 -18.866 -6.491 1.00 20.13 H new ATOM 0 HA THR A 90 4.616 -21.152 -8.292 1.00 12.03 H new ATOM 0 HB THR A 90 2.438 -19.745 -8.790 1.00 23.43 H new ATOM 0 HG1 THR A 90 2.990 -18.177 -7.083 1.00 53.43 H new ATOM 0 HG21 THR A 90 1.366 -21.308 -7.053 1.00 63.34 H new ATOM 0 HG22 THR A 90 2.648 -22.135 -7.968 1.00 63.34 H new ATOM 0 HG23 THR A 90 2.974 -21.534 -6.325 1.00 63.34 H new ATOM 1403 N ASN A 91 4.657 -20.095 -10.447 1.00 33.40 N ATOM 1404 CA ASN A 91 4.746 -19.778 -11.861 1.00 52.15 C ATOM 1405 C ASN A 91 3.718 -18.747 -12.347 1.00 62.45 C ATOM 1406 O ASN A 91 3.408 -18.710 -13.536 1.00 22.42 O ATOM 1407 CB ASN A 91 4.601 -21.108 -12.602 1.00 42.45 C ATOM 1408 CG ASN A 91 3.246 -21.728 -12.300 1.00 24.54 C ATOM 1409 OD1 ASN A 91 3.041 -22.327 -11.241 1.00 60.12 O ATOM 1410 ND2 ASN A 91 2.259 -21.496 -13.128 1.00 34.31 N ATOM 0 H ASN A 91 4.406 -21.077 -10.337 1.00 33.40 H new ATOM 0 HA ASN A 91 5.703 -19.296 -12.061 1.00 52.15 H new ATOM 0 HB2 ASN A 91 4.706 -20.949 -13.675 1.00 42.45 H new ATOM 0 HB3 ASN A 91 5.397 -21.790 -12.302 1.00 42.45 H new ATOM 0 HD21 ASN A 91 1.316 -21.811 -12.899 1.00 34.31 H new ATOM 0 HD22 ASN A 91 2.433 -21.000 -14.002 1.00 34.31 H new ATOM 1417 N ALA A 92 3.163 -17.909 -11.475 1.00 75.35 N ATOM 1418 CA ALA A 92 2.227 -16.855 -11.837 1.00 75.53 C ATOM 1419 C ALA A 92 2.567 -15.620 -11.026 1.00 22.42 C ATOM 1420 O ALA A 92 2.845 -15.735 -9.835 1.00 64.25 O ATOM 1421 CB ALA A 92 0.801 -17.316 -11.550 1.00 32.23 C ATOM 0 H ALA A 92 3.358 -17.947 -10.475 1.00 75.35 H new ATOM 0 HA ALA A 92 2.300 -16.623 -12.900 1.00 75.53 H new ATOM 0 HB1 ALA A 92 0.101 -16.525 -11.822 1.00 32.23 H new ATOM 0 HB2 ALA A 92 0.583 -18.210 -12.134 1.00 32.23 H new ATOM 0 HB3 ALA A 92 0.698 -17.542 -10.489 1.00 32.23 H new ATOM 1427 N SER A 93 2.589 -14.457 -11.664 1.00 14.24 N ATOM 1428 CA SER A 93 2.559 -13.168 -11.039 1.00 51.03 C ATOM 1429 C SER A 93 1.219 -12.942 -10.329 1.00 53.03 C ATOM 1430 O SER A 93 0.229 -13.614 -10.623 1.00 72.12 O ATOM 1431 CB SER A 93 2.844 -12.155 -12.152 1.00 21.10 C ATOM 1432 OG SER A 93 3.812 -12.577 -13.120 1.00 3.30 O ATOM 0 H SER A 93 2.630 -14.399 -12.682 1.00 14.24 H new ATOM 0 HA SER A 93 3.308 -13.066 -10.253 1.00 51.03 H new ATOM 0 HB2 SER A 93 1.910 -11.932 -12.668 1.00 21.10 H new ATOM 0 HB3 SER A 93 3.188 -11.226 -11.698 1.00 21.10 H new ATOM 0 HG SER A 93 3.931 -11.874 -13.792 1.00 3.30 H new ATOM 1438 N ARG A 94 1.194 -12.031 -9.359 1.00 52.23 N ATOM 1439 CA ARG A 94 0.045 -11.729 -8.508 1.00 62.54 C ATOM 1440 C ARG A 94 0.193 -10.282 -8.048 1.00 14.21 C ATOM 1441 O ARG A 94 1.299 -9.742 -8.090 1.00 32.23 O ATOM 1442 CB ARG A 94 -0.018 -12.729 -7.330 1.00 0.03 C ATOM 1443 CG ARG A 94 1.318 -12.937 -6.586 1.00 14.41 C ATOM 1444 CD ARG A 94 1.914 -14.339 -6.717 1.00 20.12 C ATOM 1445 NE ARG A 94 1.199 -15.357 -5.927 1.00 73.22 N ATOM 1446 CZ ARG A 94 1.422 -15.678 -4.644 1.00 20.24 C ATOM 1447 NH1 ARG A 94 2.245 -14.967 -3.874 1.00 62.53 N ATOM 1448 NH2 ARG A 94 0.795 -16.732 -4.136 1.00 2.22 N ATOM 0 H ARG A 94 2.008 -11.459 -9.135 1.00 52.23 H new ATOM 0 HA ARG A 94 -0.897 -11.835 -9.046 1.00 62.54 H new ATOM 0 HB2 ARG A 94 -0.765 -12.382 -6.616 1.00 0.03 H new ATOM 0 HB3 ARG A 94 -0.361 -13.692 -7.707 1.00 0.03 H new ATOM 0 HG2 ARG A 94 2.042 -12.213 -6.960 1.00 14.41 H new ATOM 0 HG3 ARG A 94 1.167 -12.719 -5.529 1.00 14.41 H new ATOM 0 HD2 ARG A 94 1.905 -14.633 -7.767 1.00 20.12 H new ATOM 0 HD3 ARG A 94 2.957 -14.313 -6.402 1.00 20.12 H new ATOM 0 HE ARG A 94 0.458 -15.870 -6.405 1.00 73.22 H new ATOM 0 HH11 ARG A 94 2.726 -14.153 -4.257 1.00 62.53 H new ATOM 0 HH12 ARG A 94 2.394 -15.237 -2.902 1.00 62.53 H new ATOM 0 HH21 ARG A 94 0.160 -17.278 -4.719 1.00 2.22 H new ATOM 0 HH22 ARG A 94 0.948 -16.996 -3.163 1.00 2.22 H new ATOM 1462 N SER A 95 -0.873 -9.623 -7.607 1.00 71.55 N ATOM 1463 CA SER A 95 -0.803 -8.198 -7.287 1.00 33.31 C ATOM 1464 C SER A 95 -1.734 -7.865 -6.127 1.00 52.22 C ATOM 1465 O SER A 95 -2.704 -8.579 -5.853 1.00 41.11 O ATOM 1466 CB SER A 95 -1.059 -7.330 -8.540 1.00 63.23 C ATOM 1467 OG SER A 95 -1.620 -8.058 -9.624 1.00 53.12 O ATOM 0 H SER A 95 -1.790 -10.047 -7.463 1.00 71.55 H new ATOM 0 HA SER A 95 0.208 -7.959 -6.958 1.00 33.31 H new ATOM 0 HB2 SER A 95 -1.729 -6.512 -8.276 1.00 63.23 H new ATOM 0 HB3 SER A 95 -0.119 -6.881 -8.861 1.00 63.23 H new ATOM 0 HG SER A 95 -1.760 -7.456 -10.385 1.00 53.12 H new ATOM 1473 N PHE A 96 -1.426 -6.764 -5.448 1.00 14.24 N ATOM 1474 CA PHE A 96 -2.062 -6.345 -4.215 1.00 22.11 C ATOM 1475 C PHE A 96 -2.484 -4.883 -4.299 1.00 74.52 C ATOM 1476 O PHE A 96 -2.072 -4.143 -5.197 1.00 53.42 O ATOM 1477 CB PHE A 96 -1.105 -6.583 -3.029 1.00 51.35 C ATOM 1478 CG PHE A 96 -1.613 -7.633 -2.079 1.00 34.10 C ATOM 1479 CD1 PHE A 96 -1.353 -8.989 -2.335 1.00 51.25 C ATOM 1480 CD2 PHE A 96 -2.401 -7.258 -0.979 1.00 60.43 C ATOM 1481 CE1 PHE A 96 -1.914 -9.974 -1.500 1.00 42.15 C ATOM 1482 CE2 PHE A 96 -2.965 -8.242 -0.156 1.00 31.42 C ATOM 1483 CZ PHE A 96 -2.723 -9.602 -0.415 1.00 12.13 C ATOM 0 H PHE A 96 -0.699 -6.119 -5.758 1.00 14.24 H new ATOM 0 HA PHE A 96 -2.962 -6.939 -4.057 1.00 22.11 H new ATOM 0 HB2 PHE A 96 -0.129 -6.884 -3.409 1.00 51.35 H new ATOM 0 HB3 PHE A 96 -0.962 -5.647 -2.488 1.00 51.35 H new ATOM 0 HD1 PHE A 96 -0.727 -9.275 -3.167 1.00 51.25 H new ATOM 0 HD2 PHE A 96 -2.572 -6.213 -0.768 1.00 60.43 H new ATOM 0 HE1 PHE A 96 -1.721 -11.019 -1.695 1.00 42.15 H new ATOM 0 HE2 PHE A 96 -3.587 -7.955 0.679 1.00 31.42 H new ATOM 0 HZ PHE A 96 -3.159 -10.359 0.220 1.00 12.13 H new ATOM 1493 N THR A 97 -3.273 -4.418 -3.336 1.00 15.30 N ATOM 1494 CA THR A 97 -3.493 -2.990 -3.133 1.00 62.41 C ATOM 1495 C THR A 97 -3.612 -2.715 -1.637 1.00 15.20 C ATOM 1496 O THR A 97 -4.070 -3.577 -0.883 1.00 20.24 O ATOM 1497 CB THR A 97 -4.728 -2.525 -3.924 1.00 41.33 C ATOM 1498 OG1 THR A 97 -4.584 -2.913 -5.280 1.00 14.22 O ATOM 1499 CG2 THR A 97 -4.946 -1.014 -3.920 1.00 42.14 C ATOM 0 H THR A 97 -3.775 -5.015 -2.679 1.00 15.30 H new ATOM 0 HA THR A 97 -2.648 -2.415 -3.512 1.00 62.41 H new ATOM 0 HB THR A 97 -5.582 -2.989 -3.431 1.00 41.33 H new ATOM 0 HG1 THR A 97 -5.050 -2.271 -5.855 1.00 14.22 H new ATOM 0 HG21 THR A 97 -5.837 -0.773 -4.500 1.00 42.14 H new ATOM 0 HG22 THR A 97 -5.076 -0.668 -2.895 1.00 42.14 H new ATOM 0 HG23 THR A 97 -4.081 -0.520 -4.362 1.00 42.14 H new ATOM 1507 N VAL A 98 -3.203 -1.515 -1.238 1.00 64.33 N ATOM 1508 CA VAL A 98 -3.320 -0.925 0.079 1.00 20.13 C ATOM 1509 C VAL A 98 -3.770 0.510 -0.205 1.00 44.03 C ATOM 1510 O VAL A 98 -2.949 1.328 -0.618 1.00 51.33 O ATOM 1511 CB VAL A 98 -1.952 -0.987 0.804 1.00 25.51 C ATOM 1512 CG1 VAL A 98 -1.972 -0.284 2.166 1.00 51.44 C ATOM 1513 CG2 VAL A 98 -1.455 -2.420 1.036 1.00 64.31 C ATOM 0 H VAL A 98 -2.742 -0.880 -1.890 1.00 64.33 H new ATOM 0 HA VAL A 98 -4.022 -1.439 0.736 1.00 20.13 H new ATOM 0 HB VAL A 98 -1.273 -0.470 0.125 1.00 25.51 H new ATOM 0 HG11 VAL A 98 -0.988 -0.359 2.629 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -2.230 0.766 2.030 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -2.712 -0.759 2.810 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -0.493 -2.393 1.547 1.00 64.31 H new ATOM 0 HG22 VAL A 98 -2.177 -2.961 1.648 1.00 64.31 H new ATOM 0 HG23 VAL A 98 -1.342 -2.926 0.077 1.00 64.31 H new ATOM 1523 N CYS A 99 -5.063 0.817 -0.082 1.00 13.01 N ATOM 1524 CA CYS A 99 -5.517 2.198 -0.010 1.00 31.14 C ATOM 1525 C CYS A 99 -5.724 2.544 1.456 1.00 33.54 C ATOM 1526 O CYS A 99 -6.257 1.742 2.235 1.00 12.14 O ATOM 1527 CB CYS A 99 -6.798 2.406 -0.821 1.00 45.42 C ATOM 1528 SG CYS A 99 -7.187 4.171 -0.963 1.00 1.31 S ATOM 0 H CYS A 99 -5.810 0.125 -0.031 1.00 13.01 H new ATOM 0 HA CYS A 99 -4.769 2.860 -0.445 1.00 31.14 H new ATOM 0 HB2 CYS A 99 -6.680 1.974 -1.815 1.00 45.42 H new ATOM 0 HB3 CYS A 99 -7.626 1.883 -0.342 1.00 45.42 H new ATOM 0 HG CYS A 99 -8.276 4.321 -1.657 1.00 1.31 H new ATOM 1534 N VAL A 100 -5.319 3.759 1.793 1.00 44.05 N ATOM 1535 CA VAL A 100 -5.451 4.373 3.093 1.00 4.03 C ATOM 1536 C VAL A 100 -5.934 5.801 2.842 1.00 43.14 C ATOM 1537 O VAL A 100 -5.414 6.468 1.942 1.00 4.44 O ATOM 1538 CB VAL A 100 -4.102 4.303 3.853 1.00 51.15 C ATOM 1539 CG1 VAL A 100 -3.791 2.876 4.317 1.00 31.14 C ATOM 1540 CG2 VAL A 100 -2.871 4.758 3.049 1.00 71.14 C ATOM 0 H VAL A 100 -4.862 4.375 1.120 1.00 44.05 H new ATOM 0 HA VAL A 100 -6.169 3.857 3.731 1.00 4.03 H new ATOM 0 HB VAL A 100 -4.257 4.993 4.683 1.00 51.15 H new ATOM 0 HG11 VAL A 100 -2.838 2.865 4.846 1.00 31.14 H new ATOM 0 HG12 VAL A 100 -4.580 2.530 4.984 1.00 31.14 H new ATOM 0 HG13 VAL A 100 -3.733 2.216 3.451 1.00 31.14 H new ATOM 0 HG21 VAL A 100 -1.979 4.671 3.669 1.00 71.14 H new ATOM 0 HG22 VAL A 100 -2.761 4.130 2.165 1.00 71.14 H new ATOM 0 HG23 VAL A 100 -3.000 5.796 2.743 1.00 71.14 H new ATOM 1550 N GLU A 101 -6.906 6.279 3.617 1.00 62.53 N ATOM 1551 CA GLU A 101 -7.387 7.659 3.625 1.00 13.24 C ATOM 1552 C GLU A 101 -6.996 8.324 4.946 1.00 62.33 C ATOM 1553 O GLU A 101 -7.125 7.708 6.009 1.00 14.41 O ATOM 1554 CB GLU A 101 -8.916 7.674 3.471 1.00 71.23 C ATOM 1555 CG GLU A 101 -9.529 9.065 3.258 1.00 22.50 C ATOM 1556 CD GLU A 101 -10.917 9.144 3.892 1.00 3.42 C ATOM 1557 OE1 GLU A 101 -11.025 9.344 5.124 1.00 50.05 O ATOM 1558 OE2 GLU A 101 -11.919 8.940 3.175 1.00 53.04 O ATOM 0 H GLU A 101 -7.401 5.689 4.286 1.00 62.53 H new ATOM 0 HA GLU A 101 -6.938 8.206 2.796 1.00 13.24 H new ATOM 0 HB2 GLU A 101 -9.188 7.040 2.627 1.00 71.23 H new ATOM 0 HB3 GLU A 101 -9.361 7.229 4.361 1.00 71.23 H new ATOM 0 HG2 GLU A 101 -8.880 9.825 3.694 1.00 22.50 H new ATOM 0 HG3 GLU A 101 -9.598 9.279 2.191 1.00 22.50 H new ATOM 1565 N ALA A 102 -6.592 9.595 4.864 1.00 25.24 N ATOM 1566 CA ALA A 102 -6.335 10.485 5.990 1.00 44.11 C ATOM 1567 C ALA A 102 -7.362 11.631 5.973 1.00 54.13 C ATOM 1568 O ALA A 102 -7.017 12.816 6.038 1.00 63.34 O ATOM 1569 CB ALA A 102 -4.878 10.969 5.931 1.00 12.03 C ATOM 0 H ALA A 102 -6.429 10.049 3.965 1.00 25.24 H new ATOM 0 HA ALA A 102 -6.456 9.965 6.940 1.00 44.11 H new ATOM 0 HB1 ALA A 102 -4.682 11.635 6.771 1.00 12.03 H new ATOM 0 HB2 ALA A 102 -4.207 10.111 5.983 1.00 12.03 H new ATOM 0 HB3 ALA A 102 -4.710 11.505 4.997 1.00 12.03 H new ATOM 1575 N GLY A 103 -8.644 11.295 5.813 1.00 34.41 N ATOM 1576 CA GLY A 103 -9.750 12.239 5.801 1.00 21.54 C ATOM 1577 C GLY A 103 -9.903 12.907 4.440 1.00 24.24 C ATOM 1578 O GLY A 103 -10.906 12.699 3.761 1.00 45.32 O ATOM 0 H GLY A 103 -8.944 10.329 5.685 1.00 34.41 H new ATOM 0 HA2 GLY A 103 -10.674 11.721 6.059 1.00 21.54 H new ATOM 0 HA3 GLY A 103 -9.588 13.000 6.564 1.00 21.54 H new ATOM 1582 N ASN A 104 -8.948 13.753 4.046 1.00 25.20 N ATOM 1583 CA ASN A 104 -9.089 14.596 2.853 1.00 42.22 C ATOM 1584 C ASN A 104 -8.448 14.012 1.607 1.00 12.11 C ATOM 1585 O ASN A 104 -8.718 14.503 0.510 1.00 24.33 O ATOM 1586 CB ASN A 104 -8.481 15.989 3.090 1.00 24.43 C ATOM 1587 CG ASN A 104 -9.563 16.994 3.407 1.00 4.20 C ATOM 1588 OD1 ASN A 104 -9.595 17.520 4.513 1.00 63.11 O ATOM 1589 ND2 ASN A 104 -10.446 17.262 2.463 1.00 3.02 N ATOM 0 H ASN A 104 -8.063 13.874 4.538 1.00 25.20 H new ATOM 0 HA ASN A 104 -10.164 14.659 2.681 1.00 42.22 H new ATOM 0 HB2 ASN A 104 -7.766 15.945 3.912 1.00 24.43 H new ATOM 0 HB3 ASN A 104 -7.930 16.307 2.205 1.00 24.43 H new ATOM 0 HD21 ASN A 104 -11.195 17.932 2.640 1.00 3.02 H new ATOM 0 HD22 ASN A 104 -10.380 16.799 1.556 1.00 3.02 H new ATOM 1596 N ALA A 105 -7.563 13.035 1.774 1.00 21.43 N ATOM 1597 CA ALA A 105 -6.695 12.517 0.737 1.00 44.04 C ATOM 1598 C ALA A 105 -6.519 11.023 0.956 1.00 70.25 C ATOM 1599 O ALA A 105 -6.692 10.535 2.076 1.00 1.24 O ATOM 1600 CB ALA A 105 -5.341 13.230 0.839 1.00 31.20 C ATOM 0 H ALA A 105 -7.430 12.568 2.671 1.00 21.43 H new ATOM 0 HA ALA A 105 -7.121 12.688 -0.252 1.00 44.04 H new ATOM 0 HB1 ALA A 105 -4.672 12.853 0.065 1.00 31.20 H new ATOM 0 HB2 ALA A 105 -5.483 14.302 0.705 1.00 31.20 H new ATOM 0 HB3 ALA A 105 -4.904 13.042 1.820 1.00 31.20 H new ATOM 1606 N PHE A 106 -6.133 10.319 -0.105 1.00 5.03 N ATOM 1607 CA PHE A 106 -5.808 8.908 -0.077 1.00 33.51 C ATOM 1608 C PHE A 106 -4.747 8.642 -1.142 1.00 42.22 C ATOM 1609 O PHE A 106 -4.919 9.002 -2.314 1.00 34.14 O ATOM 1610 CB PHE A 106 -7.063 8.040 -0.270 1.00 2.10 C ATOM 1611 CG PHE A 106 -8.058 8.488 -1.322 1.00 72.44 C ATOM 1612 CD1 PHE A 106 -7.959 8.026 -2.648 1.00 23.12 C ATOM 1613 CD2 PHE A 106 -9.125 9.331 -0.958 1.00 31.10 C ATOM 1614 CE1 PHE A 106 -8.919 8.416 -3.599 1.00 43.44 C ATOM 1615 CE2 PHE A 106 -10.104 9.679 -1.902 1.00 24.13 C ATOM 1616 CZ PHE A 106 -9.996 9.233 -3.227 1.00 73.41 C ATOM 0 H PHE A 106 -6.037 10.733 -1.032 1.00 5.03 H new ATOM 0 HA PHE A 106 -5.408 8.635 0.899 1.00 33.51 H new ATOM 0 HB2 PHE A 106 -6.740 7.029 -0.519 1.00 2.10 H new ATOM 0 HB3 PHE A 106 -7.584 7.982 0.686 1.00 2.10 H new ATOM 0 HD1 PHE A 106 -7.148 7.373 -2.934 1.00 23.12 H new ATOM 0 HD2 PHE A 106 -9.191 9.711 0.051 1.00 31.10 H new ATOM 0 HE1 PHE A 106 -8.826 8.084 -4.622 1.00 43.44 H new ATOM 0 HE2 PHE A 106 -10.943 10.292 -1.607 1.00 24.13 H new ATOM 0 HZ PHE A 106 -10.739 9.517 -3.957 1.00 73.41 H new ATOM 1626 N ASP A 107 -3.652 8.016 -0.722 1.00 63.54 N ATOM 1627 CA ASP A 107 -2.574 7.512 -1.563 1.00 72.12 C ATOM 1628 C ASP A 107 -2.867 6.017 -1.710 1.00 65.21 C ATOM 1629 O ASP A 107 -2.667 5.262 -0.755 1.00 73.12 O ATOM 1630 CB ASP A 107 -1.195 7.750 -0.901 1.00 34.53 C ATOM 1631 CG ASP A 107 -0.365 8.912 -1.452 1.00 32.10 C ATOM 1632 OD1 ASP A 107 -0.920 9.888 -1.997 1.00 13.33 O ATOM 1633 OD2 ASP A 107 0.885 8.869 -1.315 1.00 5.30 O ATOM 0 H ASP A 107 -3.485 7.838 0.268 1.00 63.54 H new ATOM 0 HA ASP A 107 -2.531 8.018 -2.527 1.00 72.12 H new ATOM 0 HB2 ASP A 107 -1.352 7.918 0.164 1.00 34.53 H new ATOM 0 HB3 ASP A 107 -0.608 6.836 -0.996 1.00 34.53 H new ATOM 1638 N GLU A 108 -3.402 5.580 -2.852 1.00 24.41 N ATOM 1639 CA GLU A 108 -3.531 4.156 -3.150 1.00 23.32 C ATOM 1640 C GLU A 108 -2.150 3.623 -3.541 1.00 53.31 C ATOM 1641 O GLU A 108 -1.448 4.240 -4.348 1.00 1.34 O ATOM 1642 CB GLU A 108 -4.594 3.925 -4.241 1.00 71.23 C ATOM 1643 CG GLU A 108 -4.849 2.433 -4.558 1.00 1.34 C ATOM 1644 CD GLU A 108 -4.484 1.962 -5.984 1.00 72.21 C ATOM 1645 OE1 GLU A 108 -3.658 2.594 -6.681 1.00 22.33 O ATOM 1646 OE2 GLU A 108 -5.030 0.921 -6.420 1.00 32.40 O ATOM 0 H GLU A 108 -3.753 6.195 -3.586 1.00 24.41 H new ATOM 0 HA GLU A 108 -3.877 3.606 -2.275 1.00 23.32 H new ATOM 0 HB2 GLU A 108 -5.531 4.385 -3.926 1.00 71.23 H new ATOM 0 HB3 GLU A 108 -4.281 4.432 -5.153 1.00 71.23 H new ATOM 0 HG2 GLU A 108 -4.286 1.831 -3.845 1.00 1.34 H new ATOM 0 HG3 GLU A 108 -5.905 2.223 -4.389 1.00 1.34 H new ATOM 1653 N PHE A 109 -1.756 2.487 -2.964 1.00 15.20 N ATOM 1654 CA PHE A 109 -0.533 1.774 -3.288 1.00 32.23 C ATOM 1655 C PHE A 109 -0.900 0.435 -3.916 1.00 14.34 C ATOM 1656 O PHE A 109 -1.740 -0.295 -3.388 1.00 55.45 O ATOM 1657 CB PHE A 109 0.301 1.555 -2.023 1.00 64.34 C ATOM 1658 CG PHE A 109 0.753 2.787 -1.261 1.00 1.10 C ATOM 1659 CD1 PHE A 109 0.965 4.027 -1.906 1.00 63.44 C ATOM 1660 CD2 PHE A 109 1.064 2.653 0.107 1.00 3.33 C ATOM 1661 CE1 PHE A 109 1.490 5.113 -1.185 1.00 5.34 C ATOM 1662 CE2 PHE A 109 1.609 3.734 0.821 1.00 34.12 C ATOM 1663 CZ PHE A 109 1.830 4.959 0.171 1.00 61.23 C ATOM 0 H PHE A 109 -2.302 2.028 -2.235 1.00 15.20 H new ATOM 0 HA PHE A 109 0.060 2.359 -3.991 1.00 32.23 H new ATOM 0 HB2 PHE A 109 -0.278 0.932 -1.342 1.00 64.34 H new ATOM 0 HB3 PHE A 109 1.189 0.986 -2.299 1.00 64.34 H new ATOM 0 HD1 PHE A 109 0.724 4.140 -2.953 1.00 63.44 H new ATOM 0 HD2 PHE A 109 0.883 1.714 0.610 1.00 3.33 H new ATOM 0 HE1 PHE A 109 1.632 6.066 -1.672 1.00 5.34 H new ATOM 0 HE2 PHE A 109 1.857 3.623 1.866 1.00 34.12 H new ATOM 0 HZ PHE A 109 2.263 5.786 0.714 1.00 61.23 H new ATOM 1673 N LYS A 110 -0.260 0.095 -5.030 1.00 52.12 N ATOM 1674 CA LYS A 110 -0.667 -0.948 -5.958 1.00 74.55 C ATOM 1675 C LYS A 110 0.526 -1.858 -6.180 1.00 22.23 C ATOM 1676 O LYS A 110 1.417 -1.554 -6.971 1.00 44.24 O ATOM 1677 CB LYS A 110 -1.165 -0.241 -7.220 1.00 54.35 C ATOM 1678 CG LYS A 110 -1.788 -1.149 -8.286 1.00 55.25 C ATOM 1679 CD LYS A 110 -2.605 -0.241 -9.218 1.00 4.31 C ATOM 1680 CE LYS A 110 -2.687 -0.707 -10.668 1.00 31.33 C ATOM 1681 NZ LYS A 110 -3.485 -1.934 -10.836 1.00 3.41 N ATOM 0 H LYS A 110 0.598 0.563 -5.322 1.00 52.12 H new ATOM 0 HA LYS A 110 -1.476 -1.581 -5.594 1.00 74.55 H new ATOM 0 HB2 LYS A 110 -1.903 0.506 -6.929 1.00 54.35 H new ATOM 0 HB3 LYS A 110 -0.329 0.295 -7.669 1.00 54.35 H new ATOM 0 HG2 LYS A 110 -1.015 -1.679 -8.842 1.00 55.25 H new ATOM 0 HG3 LYS A 110 -2.425 -1.905 -7.826 1.00 55.25 H new ATOM 0 HD2 LYS A 110 -3.617 -0.157 -8.822 1.00 4.31 H new ATOM 0 HD3 LYS A 110 -2.171 0.759 -9.198 1.00 4.31 H new ATOM 0 HE2 LYS A 110 -3.121 0.088 -11.275 1.00 31.33 H new ATOM 0 HE3 LYS A 110 -1.679 -0.882 -11.045 1.00 31.33 H new ATOM 0 HZ1 LYS A 110 -3.504 -2.201 -11.841 1.00 3.41 H new ATOM 0 HZ2 LYS A 110 -3.059 -2.704 -10.281 1.00 3.41 H new ATOM 0 HZ3 LYS A 110 -4.456 -1.765 -10.504 1.00 3.41 H new ATOM 1695 N PHE A 111 0.608 -2.931 -5.405 1.00 75.31 N ATOM 1696 CA PHE A 111 1.774 -3.799 -5.395 1.00 2.10 C ATOM 1697 C PHE A 111 1.641 -4.823 -6.519 1.00 64.45 C ATOM 1698 O PHE A 111 0.532 -5.257 -6.833 1.00 12.11 O ATOM 1699 CB PHE A 111 1.916 -4.451 -4.017 1.00 20.33 C ATOM 1700 CG PHE A 111 2.232 -3.464 -2.908 1.00 53.44 C ATOM 1701 CD1 PHE A 111 1.213 -2.678 -2.332 1.00 73.11 C ATOM 1702 CD2 PHE A 111 3.560 -3.301 -2.473 1.00 33.22 C ATOM 1703 CE1 PHE A 111 1.523 -1.742 -1.330 1.00 15.30 C ATOM 1704 CE2 PHE A 111 3.869 -2.350 -1.486 1.00 54.34 C ATOM 1705 CZ PHE A 111 2.852 -1.568 -0.913 1.00 13.44 C ATOM 0 H PHE A 111 -0.132 -3.223 -4.767 1.00 75.31 H new ATOM 0 HA PHE A 111 2.685 -3.228 -5.574 1.00 2.10 H new ATOM 0 HB2 PHE A 111 0.991 -4.973 -3.774 1.00 20.33 H new ATOM 0 HB3 PHE A 111 2.705 -5.202 -4.059 1.00 20.33 H new ATOM 0 HD1 PHE A 111 0.191 -2.795 -2.662 1.00 73.11 H new ATOM 0 HD2 PHE A 111 4.344 -3.909 -2.899 1.00 33.22 H new ATOM 0 HE1 PHE A 111 0.736 -1.155 -0.880 1.00 15.30 H new ATOM 0 HE2 PHE A 111 4.892 -2.220 -1.166 1.00 54.34 H new ATOM 0 HZ PHE A 111 3.092 -0.837 -0.155 1.00 13.44 H new ATOM 1715 N VAL A 112 2.759 -5.216 -7.128 1.00 13.12 N ATOM 1716 CA VAL A 112 2.789 -6.081 -8.299 1.00 75.23 C ATOM 1717 C VAL A 112 3.960 -7.043 -8.137 1.00 23.54 C ATOM 1718 O VAL A 112 5.112 -6.684 -8.386 1.00 4.10 O ATOM 1719 CB VAL A 112 2.887 -5.226 -9.580 1.00 15.42 C ATOM 1720 CG1 VAL A 112 2.808 -6.091 -10.840 1.00 72.54 C ATOM 1721 CG2 VAL A 112 1.815 -4.136 -9.683 1.00 54.35 C ATOM 0 H VAL A 112 3.687 -4.934 -6.812 1.00 13.12 H new ATOM 0 HA VAL A 112 1.873 -6.665 -8.390 1.00 75.23 H new ATOM 0 HB VAL A 112 3.860 -4.739 -9.508 1.00 15.42 H new ATOM 0 HG11 VAL A 112 2.880 -5.456 -11.723 1.00 72.54 H new ATOM 0 HG12 VAL A 112 3.629 -6.808 -10.841 1.00 72.54 H new ATOM 0 HG13 VAL A 112 1.859 -6.626 -10.855 1.00 72.54 H new ATOM 0 HG21 VAL A 112 1.951 -3.579 -10.610 1.00 54.35 H new ATOM 0 HG22 VAL A 112 0.827 -4.596 -9.678 1.00 54.35 H new ATOM 0 HG23 VAL A 112 1.904 -3.457 -8.835 1.00 54.35 H new ATOM 1731 N GLN A 113 3.671 -8.250 -7.657 1.00 1.31 N ATOM 1732 CA GLN A 113 4.640 -9.314 -7.489 1.00 15.14 C ATOM 1733 C GLN A 113 4.787 -10.095 -8.804 1.00 23.13 C ATOM 1734 O GLN A 113 3.846 -10.231 -9.587 1.00 4.30 O ATOM 1735 CB GLN A 113 4.177 -10.173 -6.300 1.00 53.04 C ATOM 1736 CG GLN A 113 5.023 -11.440 -6.139 1.00 71.15 C ATOM 1737 CD GLN A 113 4.850 -12.047 -4.759 1.00 34.31 C ATOM 1738 OE1 GLN A 113 3.848 -12.694 -4.480 1.00 40.04 O ATOM 1739 NE2 GLN A 113 5.847 -11.874 -3.915 1.00 42.03 N ATOM 0 H GLN A 113 2.729 -8.516 -7.368 1.00 1.31 H new ATOM 0 HA GLN A 113 5.637 -8.935 -7.262 1.00 15.14 H new ATOM 0 HB2 GLN A 113 4.231 -9.583 -5.385 1.00 53.04 H new ATOM 0 HB3 GLN A 113 3.132 -10.451 -6.439 1.00 53.04 H new ATOM 0 HG2 GLN A 113 4.738 -12.169 -6.898 1.00 71.15 H new ATOM 0 HG3 GLN A 113 6.074 -11.202 -6.305 1.00 71.15 H new ATOM 0 HE21 GLN A 113 6.661 -11.327 -4.193 1.00 42.03 H new ATOM 0 HE22 GLN A 113 5.804 -12.288 -2.984 1.00 42.03 H new ATOM 1748 N ASP A 114 5.981 -10.624 -9.059 1.00 23.22 N ATOM 1749 CA ASP A 114 6.303 -11.448 -10.229 1.00 54.04 C ATOM 1750 C ASP A 114 6.250 -12.931 -9.887 1.00 0.22 C ATOM 1751 O ASP A 114 6.347 -13.303 -8.717 1.00 0.43 O ATOM 1752 CB ASP A 114 7.713 -11.107 -10.727 1.00 4.34 C ATOM 1753 CG ASP A 114 7.735 -9.957 -11.726 1.00 53.24 C ATOM 1754 OD1 ASP A 114 6.830 -9.835 -12.589 1.00 0.34 O ATOM 1755 OD2 ASP A 114 8.697 -9.162 -11.682 1.00 71.53 O ATOM 0 H ASP A 114 6.779 -10.489 -8.439 1.00 23.22 H new ATOM 0 HA ASP A 114 5.565 -11.237 -11.003 1.00 54.04 H new ATOM 0 HB2 ASP A 114 8.341 -10.850 -9.874 1.00 4.34 H new ATOM 0 HB3 ASP A 114 8.151 -11.991 -11.191 1.00 4.34 H new ATOM 1760 N ALA A 115 6.120 -13.765 -10.923 1.00 4.34 N ATOM 1761 CA ALA A 115 6.256 -15.217 -10.870 1.00 64.21 C ATOM 1762 C ALA A 115 7.689 -15.627 -10.548 1.00 72.14 C ATOM 1763 O ALA A 115 8.635 -14.961 -10.982 1.00 23.43 O ATOM 1764 CB ALA A 115 5.891 -15.792 -12.242 1.00 63.52 C ATOM 0 H ALA A 115 5.908 -13.428 -11.862 1.00 4.34 H new ATOM 0 HA ALA A 115 5.597 -15.597 -10.089 1.00 64.21 H new ATOM 0 HB1 ALA A 115 5.988 -16.877 -12.219 1.00 63.52 H new ATOM 0 HB2 ALA A 115 4.863 -15.524 -12.487 1.00 63.52 H new ATOM 0 HB3 ALA A 115 6.562 -15.384 -12.998 1.00 63.52 H new ATOM 1770 N ALA A 116 7.834 -16.780 -9.889 1.00 55.45 N ATOM 1771 CA ALA A 116 9.080 -17.529 -9.886 1.00 31.23 C ATOM 1772 C ALA A 116 9.284 -18.111 -11.279 1.00 52.11 C ATOM 1773 O ALA A 116 8.299 -18.393 -11.972 1.00 73.45 O ATOM 1774 CB ALA A 116 9.003 -18.640 -8.835 1.00 15.34 C ATOM 0 H ALA A 116 7.088 -17.214 -9.345 1.00 55.45 H new ATOM 0 HA ALA A 116 9.922 -16.884 -9.635 1.00 31.23 H new ATOM 0 HB1 ALA A 116 9.936 -19.203 -8.831 1.00 15.34 H new ATOM 0 HB2 ALA A 116 8.841 -18.200 -7.851 1.00 15.34 H new ATOM 0 HB3 ALA A 116 8.177 -19.310 -9.073 1.00 15.34 H new ATOM 1780 N LYS A 117 10.536 -18.314 -11.689 1.00 60.32 N ATOM 1781 CA LYS A 117 10.886 -18.864 -13.000 1.00 71.25 C ATOM 1782 C LYS A 117 11.636 -20.185 -12.821 1.00 21.23 C ATOM 1783 O LYS A 117 12.675 -20.421 -13.438 1.00 0.42 O ATOM 1784 CB LYS A 117 11.651 -17.783 -13.789 1.00 74.43 C ATOM 1785 CG LYS A 117 11.746 -18.068 -15.293 1.00 13.44 C ATOM 1786 CD LYS A 117 12.709 -17.074 -15.957 1.00 54.45 C ATOM 1787 CE LYS A 117 12.927 -17.368 -17.443 1.00 40.34 C ATOM 1788 NZ LYS A 117 13.653 -18.633 -17.671 1.00 4.11 N ATOM 0 H LYS A 117 11.348 -18.098 -11.111 1.00 60.32 H new ATOM 0 HA LYS A 117 10.005 -19.115 -13.590 1.00 71.25 H new ATOM 0 HB2 LYS A 117 11.159 -16.822 -13.641 1.00 74.43 H new ATOM 0 HB3 LYS A 117 12.658 -17.692 -13.381 1.00 74.43 H new ATOM 0 HG2 LYS A 117 12.094 -19.088 -15.457 1.00 13.44 H new ATOM 0 HG3 LYS A 117 10.759 -17.990 -15.749 1.00 13.44 H new ATOM 0 HD2 LYS A 117 12.317 -16.063 -15.844 1.00 54.45 H new ATOM 0 HD3 LYS A 117 13.668 -17.103 -15.440 1.00 54.45 H new ATOM 0 HE2 LYS A 117 11.961 -17.412 -17.946 1.00 40.34 H new ATOM 0 HE3 LYS A 117 13.484 -16.547 -17.894 1.00 40.34 H new ATOM 0 HZ1 LYS A 117 13.878 -18.727 -18.682 1.00 4.11 H new ATOM 0 HZ2 LYS A 117 14.534 -18.632 -17.118 1.00 4.11 H new ATOM 0 HZ3 LYS A 117 13.059 -19.433 -17.373 1.00 4.11 H new ATOM 1802 N GLN A 118 11.123 -21.024 -11.932 1.00 52.44 N ATOM 1803 CA GLN A 118 11.756 -22.254 -11.482 1.00 61.25 C ATOM 1804 C GLN A 118 11.078 -23.423 -12.168 1.00 11.04 C ATOM 1805 O GLN A 118 9.861 -23.323 -12.462 1.00 33.33 O ATOM 1806 CB GLN A 118 11.704 -22.337 -9.948 1.00 15.20 C ATOM 1807 CG GLN A 118 12.589 -21.240 -9.326 1.00 61.32 C ATOM 1808 CD GLN A 118 12.575 -21.158 -7.800 1.00 3.30 C ATOM 1809 OE1 GLN A 118 12.998 -20.153 -7.243 1.00 72.11 O ATOM 1810 NE2 GLN A 118 12.175 -22.184 -7.070 1.00 61.13 N ATOM 0 H GLN A 118 10.220 -20.859 -11.488 1.00 52.44 H new ATOM 0 HA GLN A 118 12.811 -22.277 -11.754 1.00 61.25 H new ATOM 0 HB2 GLN A 118 10.676 -22.223 -9.605 1.00 15.20 H new ATOM 0 HB3 GLN A 118 12.043 -23.319 -9.618 1.00 15.20 H new ATOM 0 HG2 GLN A 118 13.616 -21.400 -9.653 1.00 61.32 H new ATOM 0 HG3 GLN A 118 12.274 -20.276 -9.725 1.00 61.32 H new ATOM 0 HE21 GLN A 118 11.821 -23.026 -7.524 1.00 61.13 H new ATOM 0 HE22 GLN A 118 12.220 -22.134 -6.052 1.00 61.13 H new TER 1819 GLN A 118