USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 995 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0636 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 59:sc= 0.597 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -42:sc= 0.161 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 39:sc= -0.0463 USER MOD Single : A 37 SER OG : rot -83:sc= -1.27! USER MOD Single : A 38 THR OG1 : rot -179:sc= -0.947 USER MOD Single : A 44 HIS : no HD1:sc=-0.000236 X(o=-0.00024,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= -0.331 (180deg=-1.91!) USER MOD Single : A 46 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.1) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 61 SER OG : rot 180:sc= -0.684 USER MOD Single : A 62 THR OG1 : rot -18:sc= 0.656 USER MOD Single : A 64 HIS : no HD1:sc= -0.414 K(o=-0.41,f=-1) USER MOD Single : A 72 TYR OH : rot -114:sc= -0.552 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0345) USER MOD Single : A 79 SER OG : rot 180:sc= 0.181 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -34:sc= 0.0576 USER MOD Single : A 101 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.6!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 170:sc= -0.412 USER MOD Single : A 110 ASN : amide:sc= -0.184 K(o=-0.18,f=-2!) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc=-0.00633 X(o=-0.0063,f=-0.48) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 157:sc= -0.32 (180deg=-1.02) USER MOD Single : A 130 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000989) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.720 -6.668 -1.623 1.00 21.23 N ATOM 2 CA GLY A 1 20.387 -6.147 -1.867 1.00 1.15 C ATOM 3 C GLY A 1 20.390 -4.659 -2.158 1.00 71.30 C ATOM 4 O GLY A 1 21.380 -3.963 -1.930 1.00 35.24 O ATOM 0 H1 GLY A 1 21.953 -7.378 -2.346 1.00 21.23 H new ATOM 0 H2 GLY A 1 22.410 -5.891 -1.666 1.00 21.23 H new ATOM 0 H3 GLY A 1 21.754 -7.108 -0.681 1.00 21.23 H new ATOM 0 HA2 GLY A 1 19.941 -6.678 -2.708 1.00 1.15 H new ATOM 0 HA3 GLY A 1 19.759 -6.343 -0.998 1.00 1.15 H new ATOM 8 N PRO A 2 19.261 -4.152 -2.675 1.00 41.24 N ATOM 9 CA PRO A 2 19.113 -2.733 -3.010 1.00 63.15 C ATOM 10 C PRO A 2 19.059 -1.847 -1.770 1.00 20.20 C ATOM 11 O PRO A 2 19.302 -2.307 -0.655 1.00 62.40 O ATOM 12 CB PRO A 2 17.780 -2.683 -3.761 1.00 11.53 C ATOM 13 CG PRO A 2 17.019 -3.862 -3.260 1.00 31.44 C ATOM 14 CD PRO A 2 18.043 -4.924 -2.971 1.00 64.13 C ATOM 0 HA PRO A 2 19.958 -2.361 -3.589 1.00 63.15 H new ATOM 0 HB2 PRO A 2 17.247 -1.753 -3.561 1.00 11.53 H new ATOM 0 HB3 PRO A 2 17.931 -2.738 -4.839 1.00 11.53 H new ATOM 0 HG2 PRO A 2 16.455 -3.609 -2.362 1.00 31.44 H new ATOM 0 HG3 PRO A 2 16.299 -4.206 -4.003 1.00 31.44 H new ATOM 0 HD2 PRO A 2 17.748 -5.548 -2.127 1.00 64.13 H new ATOM 0 HD3 PRO A 2 18.185 -5.588 -3.824 1.00 64.13 H new ATOM 22 N GLY A 3 18.740 -0.572 -1.972 1.00 1.24 N ATOM 23 CA GLY A 3 18.659 0.357 -0.861 1.00 33.32 C ATOM 24 C GLY A 3 17.349 1.119 -0.835 1.00 12.15 C ATOM 25 O GLY A 3 16.300 0.576 -1.181 1.00 41.34 O ATOM 0 H GLY A 3 18.536 -0.166 -2.885 1.00 1.24 H new ATOM 0 HA2 GLY A 3 18.776 -0.190 0.075 1.00 33.32 H new ATOM 0 HA3 GLY A 3 19.486 1.065 -0.922 1.00 33.32 H new ATOM 29 N SER A 4 17.408 2.382 -0.421 1.00 32.11 N ATOM 30 CA SER A 4 16.215 3.217 -0.347 1.00 61.32 C ATOM 31 C SER A 4 16.583 4.696 -0.417 1.00 44.23 C ATOM 32 O SER A 4 17.759 5.051 -0.506 1.00 73.31 O ATOM 33 CB SER A 4 15.447 2.932 0.946 1.00 44.43 C ATOM 34 OG SER A 4 16.237 3.228 2.084 1.00 11.15 O ATOM 0 H SER A 4 18.268 2.848 -0.132 1.00 32.11 H new ATOM 0 HA SER A 4 15.580 2.977 -1.199 1.00 61.32 H new ATOM 0 HB2 SER A 4 14.534 3.527 0.969 1.00 44.43 H new ATOM 0 HB3 SER A 4 15.146 1.885 0.971 1.00 44.43 H new ATOM 0 HG SER A 4 15.723 3.039 2.897 1.00 11.15 H new ATOM 40 N MET A 5 15.569 5.555 -0.377 1.00 73.43 N ATOM 41 CA MET A 5 15.786 6.996 -0.435 1.00 14.51 C ATOM 42 C MET A 5 15.053 7.701 0.702 1.00 15.11 C ATOM 43 O MET A 5 14.519 7.055 1.603 1.00 41.12 O ATOM 44 CB MET A 5 15.316 7.549 -1.782 1.00 40.32 C ATOM 45 CG MET A 5 15.813 6.749 -2.975 1.00 43.01 C ATOM 46 SD MET A 5 17.611 6.738 -3.104 1.00 11.32 S ATOM 47 CE MET A 5 17.832 5.953 -4.698 1.00 12.43 C ATOM 0 H MET A 5 14.590 5.278 -0.305 1.00 73.43 H new ATOM 0 HA MET A 5 16.854 7.184 -0.326 1.00 14.51 H new ATOM 0 HB2 MET A 5 14.226 7.569 -1.797 1.00 40.32 H new ATOM 0 HB3 MET A 5 15.655 8.580 -1.880 1.00 40.32 H new ATOM 0 HG2 MET A 5 15.452 5.724 -2.896 1.00 43.01 H new ATOM 0 HG3 MET A 5 15.390 7.166 -3.889 1.00 43.01 H new ATOM 0 HE1 MET A 5 18.896 5.874 -4.920 1.00 12.43 H new ATOM 0 HE2 MET A 5 17.391 4.957 -4.677 1.00 12.43 H new ATOM 0 HE3 MET A 5 17.344 6.550 -5.468 1.00 12.43 H new ATOM 57 N ASP A 6 15.034 9.029 0.653 1.00 11.14 N ATOM 58 CA ASP A 6 14.366 9.821 1.678 1.00 63.34 C ATOM 59 C ASP A 6 13.391 10.813 1.050 1.00 5.21 C ATOM 60 O ASP A 6 13.140 11.885 1.599 1.00 71.42 O ATOM 61 CB ASP A 6 15.397 10.570 2.525 1.00 31.23 C ATOM 62 CG ASP A 6 16.270 9.633 3.336 1.00 65.22 C ATOM 63 OD1 ASP A 6 17.488 9.892 3.435 1.00 61.13 O ATOM 64 OD2 ASP A 6 15.736 8.640 3.873 1.00 11.11 O1- ATOM 0 H ASP A 6 15.473 9.579 -0.085 1.00 11.14 H new ATOM 0 HA ASP A 6 13.804 9.141 2.318 1.00 63.34 H new ATOM 0 HB2 ASP A 6 16.027 11.176 1.874 1.00 31.23 H new ATOM 0 HB3 ASP A 6 14.881 11.255 3.198 1.00 31.23 H new ATOM 69 N MET A 7 12.845 10.445 -0.105 1.00 24.45 N ATOM 70 CA MET A 7 11.897 11.302 -0.808 1.00 12.31 C ATOM 71 C MET A 7 10.827 10.469 -1.507 1.00 2.41 C ATOM 72 O MET A 7 10.788 9.247 -1.366 1.00 61.54 O ATOM 73 CB MET A 7 12.627 12.177 -1.829 1.00 11.23 C ATOM 74 CG MET A 7 13.880 12.837 -1.279 1.00 51.32 C ATOM 75 SD MET A 7 14.702 13.888 -2.491 1.00 25.32 S ATOM 76 CE MET A 7 14.856 15.415 -1.567 1.00 62.51 C ATOM 0 H MET A 7 13.042 9.561 -0.573 1.00 24.45 H new ATOM 0 HA MET A 7 11.411 11.944 -0.073 1.00 12.31 H new ATOM 0 HB2 MET A 7 12.896 11.567 -2.691 1.00 11.23 H new ATOM 0 HB3 MET A 7 11.946 12.950 -2.186 1.00 11.23 H new ATOM 0 HG2 MET A 7 13.618 13.434 -0.405 1.00 51.32 H new ATOM 0 HG3 MET A 7 14.574 12.067 -0.942 1.00 51.32 H new ATOM 0 HE1 MET A 7 15.347 16.166 -2.185 1.00 62.51 H new ATOM 0 HE2 MET A 7 13.865 15.770 -1.283 1.00 62.51 H new ATOM 0 HE3 MET A 7 15.449 15.239 -0.670 1.00 62.51 H new ATOM 86 N PHE A 8 9.960 11.139 -2.258 1.00 3.54 N ATOM 87 CA PHE A 8 8.888 10.461 -2.978 1.00 21.13 C ATOM 88 C PHE A 8 9.084 10.582 -4.486 1.00 4.32 C ATOM 89 O PHE A 8 9.453 11.642 -4.993 1.00 2.32 O ATOM 90 CB PHE A 8 7.530 11.044 -2.580 1.00 31.03 C ATOM 91 CG PHE A 8 7.480 12.544 -2.642 1.00 51.20 C ATOM 92 CD1 PHE A 8 7.888 13.308 -1.562 1.00 71.41 C ATOM 93 CD2 PHE A 8 7.023 13.189 -3.781 1.00 54.22 C ATOM 94 CE1 PHE A 8 7.844 14.689 -1.615 1.00 55.12 C ATOM 95 CE2 PHE A 8 6.978 14.569 -3.840 1.00 71.44 C ATOM 96 CZ PHE A 8 7.387 15.320 -2.755 1.00 63.50 C ATOM 0 H PHE A 8 9.978 12.151 -2.384 1.00 3.54 H new ATOM 0 HA PHE A 8 8.915 9.405 -2.710 1.00 21.13 H new ATOM 0 HB2 PHE A 8 6.762 10.635 -3.236 1.00 31.03 H new ATOM 0 HB3 PHE A 8 7.288 10.722 -1.567 1.00 31.03 H new ATOM 0 HD1 PHE A 8 8.245 12.820 -0.667 1.00 71.41 H new ATOM 0 HD2 PHE A 8 6.699 12.607 -4.631 1.00 54.22 H new ATOM 0 HE1 PHE A 8 8.167 15.273 -0.766 1.00 55.12 H new ATOM 0 HE2 PHE A 8 6.623 15.060 -4.734 1.00 71.44 H new ATOM 0 HZ PHE A 8 7.349 16.398 -2.798 1.00 63.50 H new ATOM 106 N SER A 9 8.836 9.488 -5.199 1.00 44.14 N ATOM 107 CA SER A 9 8.989 9.468 -6.648 1.00 63.12 C ATOM 108 C SER A 9 8.624 8.101 -7.216 1.00 52.32 C ATOM 109 O SER A 9 8.242 7.192 -6.478 1.00 53.53 O ATOM 110 CB SER A 9 10.425 9.827 -7.036 1.00 34.53 C ATOM 111 OG SER A 9 10.508 11.158 -7.513 1.00 72.44 O ATOM 0 H SER A 9 8.528 8.603 -4.796 1.00 44.14 H new ATOM 0 HA SER A 9 8.310 10.209 -7.069 1.00 63.12 H new ATOM 0 HB2 SER A 9 11.079 9.706 -6.173 1.00 34.53 H new ATOM 0 HB3 SER A 9 10.780 9.140 -7.804 1.00 34.53 H new ATOM 0 HG SER A 9 10.193 11.774 -6.819 1.00 72.44 H new ATOM 117 N ALA A 10 8.743 7.961 -8.532 1.00 24.13 N ATOM 118 CA ALA A 10 8.427 6.704 -9.199 1.00 0.13 C ATOM 119 C ALA A 10 6.951 6.353 -9.039 1.00 51.52 C ATOM 120 O ALA A 10 6.580 5.460 -8.276 1.00 13.44 O ATOM 121 CB ALA A 10 9.300 5.583 -8.654 1.00 71.34 C ATOM 0 H ALA A 10 9.056 8.703 -9.158 1.00 24.13 H new ATOM 0 HA ALA A 10 8.632 6.825 -10.263 1.00 0.13 H new ATOM 0 HB1 ALA A 10 9.053 4.650 -9.161 1.00 71.34 H new ATOM 0 HB2 ALA A 10 10.349 5.823 -8.826 1.00 71.34 H new ATOM 0 HB3 ALA A 10 9.124 5.472 -7.584 1.00 71.34 H new ATOM 127 N PRO A 11 6.088 7.071 -9.773 1.00 62.34 N ATOM 128 CA PRO A 11 4.639 6.852 -9.729 1.00 14.41 C ATOM 129 C PRO A 11 4.233 5.529 -10.366 1.00 62.40 C ATOM 130 O PRO A 11 5.083 4.705 -10.706 1.00 14.13 O ATOM 131 CB PRO A 11 4.079 8.029 -10.533 1.00 63.20 C ATOM 132 CG PRO A 11 5.185 8.420 -11.451 1.00 52.41 C ATOM 133 CD PRO A 11 6.460 8.150 -10.703 1.00 63.23 C ATOM 0 HA PRO A 11 4.265 6.800 -8.707 1.00 14.41 H new ATOM 0 HB2 PRO A 11 3.187 7.740 -11.088 1.00 63.20 H new ATOM 0 HB3 PRO A 11 3.795 8.855 -9.881 1.00 63.20 H new ATOM 0 HG2 PRO A 11 5.146 7.845 -12.376 1.00 52.41 H new ATOM 0 HG3 PRO A 11 5.110 9.472 -11.727 1.00 52.41 H new ATOM 0 HD2 PRO A 11 7.262 7.843 -11.374 1.00 63.23 H new ATOM 0 HD3 PRO A 11 6.810 9.035 -10.172 1.00 63.23 H new ATOM 141 N ASP A 12 2.929 5.330 -10.528 1.00 1.52 N ATOM 142 CA ASP A 12 2.409 4.106 -11.127 1.00 54.24 C ATOM 143 C ASP A 12 1.908 4.365 -12.544 1.00 1.12 C ATOM 144 O ASP A 12 1.051 3.642 -13.052 1.00 33.35 O ATOM 145 CB ASP A 12 1.280 3.533 -10.269 1.00 65.52 C ATOM 146 CG ASP A 12 1.797 2.772 -9.065 1.00 11.11 C ATOM 147 OD1 ASP A 12 1.356 3.076 -7.936 1.00 53.53 O ATOM 148 OD2 ASP A 12 2.642 1.872 -9.250 1.00 73.21 O1- ATOM 0 H ASP A 12 2.212 6.001 -10.253 1.00 1.52 H new ATOM 0 HA ASP A 12 3.221 3.381 -11.176 1.00 54.24 H new ATOM 0 HB2 ASP A 12 0.635 4.345 -9.932 1.00 65.52 H new ATOM 0 HB3 ASP A 12 0.666 2.870 -10.878 1.00 65.52 H new ATOM 153 N ARG A 13 2.447 5.403 -13.176 1.00 62.40 N ATOM 154 CA ARG A 13 2.052 5.759 -14.534 1.00 13.43 C ATOM 155 C ARG A 13 3.116 5.327 -15.540 1.00 51.13 C ATOM 156 O ARG A 13 2.992 5.587 -16.738 1.00 65.25 O ATOM 157 CB ARG A 13 1.816 7.267 -14.641 1.00 71.33 C ATOM 158 CG ARG A 13 3.098 8.085 -14.648 1.00 64.41 C ATOM 159 CD ARG A 13 2.806 9.575 -14.713 1.00 64.44 C ATOM 160 NE ARG A 13 2.263 10.083 -13.455 1.00 53.53 N ATOM 161 CZ ARG A 13 2.217 11.372 -13.141 1.00 72.45 C ATOM 162 NH1 ARG A 13 2.680 12.280 -13.989 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 1.708 11.756 -11.978 1.00 74.21 N ATOM 0 H ARG A 13 3.158 6.012 -12.770 1.00 62.40 H new ATOM 0 HA ARG A 13 1.124 5.236 -14.765 1.00 13.43 H new ATOM 0 HB2 ARG A 13 1.257 7.475 -15.553 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.194 7.589 -13.806 1.00 71.33 H new ATOM 0 HG2 ARG A 13 3.676 7.865 -13.751 1.00 64.41 H new ATOM 0 HG3 ARG A 13 3.711 7.796 -15.501 1.00 64.41 H new ATOM 0 HD2 ARG A 13 3.722 10.113 -14.956 1.00 64.44 H new ATOM 0 HD3 ARG A 13 2.098 9.771 -15.518 1.00 64.44 H new ATOM 0 HE ARG A 13 1.899 9.410 -12.781 1.00 53.53 H new ATOM 0 HH11 ARG A 13 3.072 11.989 -14.884 1.00 1.02 H new ATOM 0 HH12 ARG A 13 2.644 13.270 -13.746 1.00 1.02 H new ATOM 0 HH21 ARG A 13 1.351 11.060 -11.323 1.00 74.21 H new ATOM 0 HH22 ARG A 13 1.674 12.747 -11.739 1.00 74.21 H new ATOM 177 N ILE A 14 4.158 4.669 -15.046 1.00 31.23 N ATOM 178 CA ILE A 14 5.242 4.201 -15.901 1.00 21.45 C ATOM 179 C ILE A 14 5.655 2.779 -15.537 1.00 33.43 C ATOM 180 O ILE A 14 5.846 2.441 -14.368 1.00 4.22 O ATOM 181 CB ILE A 14 6.472 5.122 -15.805 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.089 6.560 -16.161 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.581 4.622 -16.719 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.227 7.526 -15.004 1.00 72.40 C ATOM 0 H ILE A 14 4.275 4.447 -14.057 1.00 31.23 H new ATOM 0 HA ILE A 14 4.866 4.216 -16.924 1.00 21.45 H new ATOM 0 HB ILE A 14 6.839 5.107 -14.779 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.716 6.901 -16.985 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.059 6.576 -16.516 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.444 5.284 -16.640 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.869 3.613 -16.423 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.226 4.611 -17.749 1.00 71.10 H new ATOM 0 HD11 ILE A 14 5.939 8.526 -15.329 1.00 72.40 H new ATOM 0 HD12 ILE A 14 5.580 7.209 -14.186 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.262 7.539 -14.663 1.00 72.40 H new ATOM 196 N PRO A 15 5.799 1.924 -16.560 1.00 52.44 N ATOM 197 CA PRO A 15 6.194 0.525 -16.373 1.00 71.33 C ATOM 198 C PRO A 15 7.645 0.387 -15.926 1.00 44.54 C ATOM 199 O PRO A 15 8.360 1.380 -15.793 1.00 21.35 O ATOM 200 CB PRO A 15 6.003 -0.087 -17.763 1.00 32.33 C ATOM 201 CG PRO A 15 6.138 1.060 -18.704 1.00 35.51 C ATOM 202 CD PRO A 15 5.588 2.258 -17.978 1.00 52.11 C ATOM 0 HA PRO A 15 5.609 0.038 -15.593 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.751 -0.854 -17.964 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.026 -0.562 -17.856 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.180 1.216 -18.982 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.587 0.875 -19.626 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.111 3.172 -18.258 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.533 2.414 -18.201 1.00 52.11 H new ATOM 210 N GLU A 16 8.074 -0.850 -15.695 1.00 24.10 N ATOM 211 CA GLU A 16 9.440 -1.116 -15.262 1.00 63.23 C ATOM 212 C GLU A 16 10.446 -0.436 -16.188 1.00 23.52 C ATOM 213 O GLU A 16 10.143 -0.150 -17.346 1.00 3.13 O ATOM 214 CB GLU A 16 9.703 -2.623 -15.225 1.00 12.45 C ATOM 215 CG GLU A 16 9.205 -3.358 -16.459 1.00 54.23 C ATOM 216 CD GLU A 16 9.832 -4.731 -16.612 1.00 62.22 C ATOM 217 OE1 GLU A 16 11.005 -4.894 -16.213 1.00 73.31 O ATOM 218 OE2 GLU A 16 9.152 -5.640 -17.131 1.00 11.13 O1- ATOM 0 H GLU A 16 7.495 -1.683 -15.801 1.00 24.10 H new ATOM 0 HA GLU A 16 9.562 -0.709 -14.258 1.00 63.23 H new ATOM 0 HB2 GLU A 16 10.774 -2.794 -15.118 1.00 12.45 H new ATOM 0 HB3 GLU A 16 9.223 -3.046 -14.342 1.00 12.45 H new ATOM 0 HG2 GLU A 16 8.121 -3.462 -16.403 1.00 54.23 H new ATOM 0 HG3 GLU A 16 9.423 -2.762 -17.345 1.00 54.23 H new ATOM 225 N GLN A 17 11.642 -0.181 -15.667 1.00 15.32 N ATOM 226 CA GLN A 17 12.691 0.466 -16.445 1.00 43.30 C ATOM 227 C GLN A 17 13.285 -0.498 -17.467 1.00 14.04 C ATOM 228 O GLN A 17 13.326 -1.708 -17.242 1.00 32.12 O ATOM 229 CB GLN A 17 13.793 0.988 -15.521 1.00 2.54 C ATOM 230 CG GLN A 17 14.354 -0.070 -14.584 1.00 15.05 C ATOM 231 CD GLN A 17 15.778 -0.459 -14.930 1.00 5.52 C ATOM 232 OE1 GLN A 17 16.022 -1.519 -15.506 1.00 25.01 O ATOM 233 NE2 GLN A 17 16.728 0.401 -14.579 1.00 30.14 N ATOM 0 H GLN A 17 11.908 -0.413 -14.710 1.00 15.32 H new ATOM 0 HA GLN A 17 12.246 1.305 -16.979 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.604 1.391 -16.128 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.398 1.813 -14.929 1.00 2.54 H new ATOM 0 HG2 GLN A 17 14.322 0.303 -13.560 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.720 -0.956 -14.621 1.00 15.05 H new ATOM 0 HE21 GLN A 17 16.480 1.268 -14.103 1.00 30.14 H new ATOM 0 HE22 GLN A 17 17.705 0.194 -14.786 1.00 30.14 H new ATOM 242 N ILE A 18 13.741 0.045 -18.590 1.00 24.21 N ATOM 243 CA ILE A 18 14.333 -0.767 -19.646 1.00 45.03 C ATOM 244 C ILE A 18 15.688 -0.214 -20.072 1.00 53.13 C ATOM 245 O ILE A 18 16.118 0.838 -19.597 1.00 34.14 O ATOM 246 CB ILE A 18 13.412 -0.844 -20.879 1.00 12.34 C ATOM 247 CG1 ILE A 18 12.975 0.559 -21.304 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.201 -1.715 -20.582 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.293 0.880 -22.748 1.00 51.52 C ATOM 0 H ILE A 18 13.712 1.044 -18.792 1.00 24.21 H new ATOM 0 HA ILE A 18 14.465 -1.769 -19.237 1.00 45.03 H new ATOM 0 HB ILE A 18 13.967 -1.296 -21.701 1.00 12.34 H new ATOM 0 HG12 ILE A 18 11.901 0.660 -21.146 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.462 1.293 -20.661 1.00 64.44 H new ATOM 0 HG21 ILE A 18 11.560 -1.760 -21.463 1.00 30.13 H new ATOM 0 HG22 ILE A 18 12.531 -2.721 -20.322 1.00 30.13 H new ATOM 0 HG23 ILE A 18 11.643 -1.290 -19.748 1.00 30.13 H new ATOM 0 HD11 ILE A 18 12.955 1.890 -22.979 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.369 0.812 -22.907 1.00 51.52 H new ATOM 0 HD13 ILE A 18 12.784 0.169 -23.399 1.00 51.52 H new ATOM 261 N ARG A 19 16.356 -0.928 -20.971 1.00 71.23 N ATOM 262 CA ARG A 19 17.664 -0.508 -21.462 1.00 75.34 C ATOM 263 C ARG A 19 17.668 -0.412 -22.984 1.00 62.41 C ATOM 264 O ARG A 19 17.097 -1.259 -23.672 1.00 51.13 O ATOM 265 CB ARG A 19 18.744 -1.489 -21.000 1.00 70.32 C ATOM 266 CG ARG A 19 20.155 -1.058 -21.365 1.00 12.13 C ATOM 267 CD ARG A 19 21.086 -2.252 -21.500 1.00 72.31 C ATOM 268 NE ARG A 19 21.369 -2.873 -20.209 1.00 22.42 N ATOM 269 CZ ARG A 19 21.872 -4.095 -20.076 1.00 11.21 C ATOM 270 NH1 ARG A 19 22.148 -4.823 -21.150 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 22.101 -4.592 -18.867 1.00 23.13 N ATOM 0 H ARG A 19 16.014 -1.800 -21.375 1.00 71.23 H new ATOM 0 HA ARG A 19 17.879 0.479 -21.052 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.677 -1.606 -19.918 1.00 70.32 H new ATOM 0 HB3 ARG A 19 18.547 -2.467 -21.440 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.136 -0.503 -22.303 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.538 -0.381 -20.602 1.00 12.13 H new ATOM 0 HD2 ARG A 19 20.637 -2.989 -22.166 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.020 -1.933 -21.962 1.00 72.31 H new ATOM 0 HE ARG A 19 21.169 -2.339 -19.363 1.00 22.42 H new ATOM 0 HH11 ARG A 19 21.974 -4.445 -22.081 1.00 43.31 H new ATOM 0 HH12 ARG A 19 22.534 -5.761 -21.045 1.00 43.31 H new ATOM 0 HH21 ARG A 19 21.891 -4.035 -18.039 1.00 23.13 H new ATOM 0 HH22 ARG A 19 22.487 -5.531 -18.766 1.00 23.13 H new ATOM 285 N ILE A 20 18.313 0.628 -23.504 1.00 35.55 N ATOM 286 CA ILE A 20 18.391 0.835 -24.945 1.00 64.45 C ATOM 287 C ILE A 20 19.838 0.984 -25.401 1.00 32.03 C ATOM 288 O ILE A 20 20.736 1.207 -24.589 1.00 53.21 O ATOM 289 CB ILE A 20 17.597 2.082 -25.377 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.155 3.332 -24.691 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.121 1.909 -25.055 1.00 21.23 C ATOM 292 CD1 ILE A 20 17.711 4.625 -25.338 1.00 21.13 C ATOM 0 H ILE A 20 18.789 1.340 -22.949 1.00 35.55 H new ATOM 0 HA ILE A 20 17.954 -0.046 -25.415 1.00 64.45 H new ATOM 0 HB ILE A 20 17.701 2.205 -26.455 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.844 3.333 -23.646 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.244 3.286 -24.700 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.574 2.799 -25.366 1.00 21.23 H new ATOM 0 HG22 ILE A 20 15.732 1.040 -25.586 1.00 21.23 H new ATOM 0 HG23 ILE A 20 15.997 1.764 -23.982 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.144 5.468 -24.800 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.045 4.646 -26.375 1.00 21.13 H new ATOM 0 HD13 ILE A 20 16.624 4.694 -25.305 1.00 21.13 H new ATOM 304 N PHE A 21 20.056 0.859 -26.706 1.00 73.53 N ATOM 305 CA PHE A 21 21.395 0.980 -27.272 1.00 64.54 C ATOM 306 C PHE A 21 21.450 2.102 -28.304 1.00 32.43 C ATOM 307 O PHE A 21 20.530 2.271 -29.105 1.00 22.23 O ATOM 308 CB PHE A 21 21.821 -0.340 -27.916 1.00 22.21 C ATOM 309 CG PHE A 21 22.677 -1.193 -27.023 1.00 75.22 C ATOM 310 CD1 PHE A 21 23.988 -1.481 -27.368 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.170 -1.708 -25.841 1.00 14.32 C ATOM 312 CE1 PHE A 21 24.779 -2.265 -26.549 1.00 63.25 C ATOM 313 CE2 PHE A 21 22.956 -2.492 -25.018 1.00 44.12 C ATOM 314 CZ PHE A 21 24.261 -2.773 -25.373 1.00 20.14 C ATOM 0 H PHE A 21 19.323 0.674 -27.391 1.00 73.53 H new ATOM 0 HA PHE A 21 22.084 1.220 -26.462 1.00 64.54 H new ATOM 0 HB2 PHE A 21 20.930 -0.902 -28.197 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.367 -0.127 -28.835 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.396 -1.088 -28.287 1.00 21.22 H new ATOM 0 HD2 PHE A 21 21.149 -1.494 -25.560 1.00 14.32 H new ATOM 0 HE1 PHE A 21 25.800 -2.480 -26.828 1.00 63.25 H new ATOM 0 HE2 PHE A 21 22.550 -2.885 -24.098 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.875 -3.389 -24.733 1.00 20.14 H new ATOM 324 N PHE A 22 22.535 2.870 -28.278 1.00 34.14 N ATOM 325 CA PHE A 22 22.711 3.977 -29.210 1.00 71.33 C ATOM 326 C PHE A 22 23.922 3.745 -30.109 1.00 24.13 C ATOM 327 O PHE A 22 25.065 3.927 -29.690 1.00 42.03 O ATOM 328 CB PHE A 22 22.873 5.293 -28.446 1.00 34.11 C ATOM 329 CG PHE A 22 21.567 5.943 -28.087 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.293 6.299 -26.776 1.00 55.45 C ATOM 331 CD2 PHE A 22 20.614 6.196 -29.060 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.093 6.897 -26.443 1.00 43.04 C ATOM 333 CE2 PHE A 22 19.411 6.795 -28.732 1.00 34.04 C ATOM 334 CZ PHE A 22 19.150 7.144 -27.421 1.00 31.31 C ATOM 0 H PHE A 22 23.305 2.745 -27.621 1.00 34.14 H new ATOM 0 HA PHE A 22 21.822 4.036 -29.837 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.440 5.107 -27.534 1.00 34.11 H new ATOM 0 HB3 PHE A 22 23.460 5.985 -29.050 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.026 6.107 -26.006 1.00 55.45 H new ATOM 0 HD2 PHE A 22 20.812 5.923 -30.086 1.00 11.41 H new ATOM 0 HE1 PHE A 22 19.892 7.171 -25.418 1.00 43.04 H new ATOM 0 HE2 PHE A 22 18.677 6.990 -29.500 1.00 34.04 H new ATOM 0 HZ PHE A 22 18.210 7.609 -27.162 1.00 31.31 H new ATOM 344 N LYS A 23 23.662 3.342 -31.349 1.00 30.42 N ATOM 345 CA LYS A 23 24.729 3.086 -32.309 1.00 1.30 C ATOM 346 C LYS A 23 25.162 4.375 -32.999 1.00 12.33 C ATOM 347 O LYS A 23 24.342 5.255 -33.266 1.00 50.24 O ATOM 348 CB LYS A 23 24.267 2.066 -33.353 1.00 51.30 C ATOM 349 CG LYS A 23 25.367 1.125 -33.812 1.00 73.32 C ATOM 350 CD LYS A 23 25.682 1.310 -35.286 1.00 53.34 C ATOM 351 CE LYS A 23 26.005 -0.016 -35.959 1.00 11.44 C ATOM 352 NZ LYS A 23 24.814 -0.594 -36.642 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.722 3.186 -31.712 1.00 30.42 H new ATOM 0 HA LYS A 23 25.584 2.682 -31.766 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.448 1.479 -32.937 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.871 2.598 -34.218 1.00 51.30 H new ATOM 0 HG2 LYS A 23 26.267 1.301 -33.222 1.00 73.32 H new ATOM 0 HG3 LYS A 23 25.064 0.094 -33.631 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.832 1.775 -35.785 1.00 53.34 H new ATOM 0 HD3 LYS A 23 26.527 1.990 -35.396 1.00 53.34 H new ATOM 0 HE2 LYS A 23 26.805 0.130 -36.685 1.00 11.44 H new ATOM 0 HE3 LYS A 23 26.375 -0.721 -35.214 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 25.074 -1.497 -37.088 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 24.059 -0.757 -35.945 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.476 0.068 -37.370 1.00 75.34 H new ATOM 366 N THR A 24 26.455 4.482 -33.285 1.00 1.24 N ATOM 367 CA THR A 24 26.998 5.664 -33.943 1.00 41.43 C ATOM 368 C THR A 24 27.529 5.325 -35.331 1.00 55.05 C ATOM 369 O THR A 24 27.123 4.333 -35.936 1.00 23.40 O ATOM 370 CB THR A 24 28.130 6.299 -33.114 1.00 24.11 C ATOM 371 OG1 THR A 24 29.350 5.578 -33.317 1.00 65.51 O ATOM 372 CG2 THR A 24 27.779 6.306 -31.634 1.00 50.11 C ATOM 0 H THR A 24 27.147 3.764 -33.071 1.00 1.24 H new ATOM 0 HA THR A 24 26.180 6.379 -34.034 1.00 41.43 H new ATOM 0 HB THR A 24 28.258 7.329 -33.445 1.00 24.11 H new ATOM 0 HG1 THR A 24 29.166 4.616 -33.313 1.00 65.51 H new ATOM 0 HG21 THR A 24 28.594 6.759 -31.069 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.866 6.881 -31.479 1.00 50.11 H new ATOM 0 HG23 THR A 24 27.625 5.283 -31.292 1.00 50.11 H new ATOM 380 N MET A 25 28.440 6.155 -35.830 1.00 73.10 N ATOM 381 CA MET A 25 29.028 5.940 -37.148 1.00 52.45 C ATOM 382 C MET A 25 29.542 4.511 -37.288 1.00 2.30 C ATOM 383 O MET A 25 29.232 3.821 -38.260 1.00 33.11 O ATOM 384 CB MET A 25 30.168 6.931 -37.387 1.00 30.23 C ATOM 385 CG MET A 25 30.364 7.291 -38.852 1.00 63.33 C ATOM 386 SD MET A 25 32.032 7.875 -39.207 1.00 45.42 S ATOM 387 CE MET A 25 32.722 6.447 -40.037 1.00 4.22 C ATOM 0 H MET A 25 28.787 6.981 -35.343 1.00 73.10 H new ATOM 0 HA MET A 25 28.252 6.102 -37.896 1.00 52.45 H new ATOM 0 HB2 MET A 25 29.972 7.841 -36.821 1.00 30.23 H new ATOM 0 HB3 MET A 25 31.094 6.507 -36.998 1.00 30.23 H new ATOM 0 HG2 MET A 25 30.150 6.418 -39.468 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.646 8.062 -39.132 1.00 63.33 H new ATOM 0 HE1 MET A 25 33.754 6.654 -40.320 1.00 4.22 H new ATOM 0 HE2 MET A 25 32.695 5.588 -39.367 1.00 4.22 H new ATOM 0 HE3 MET A 25 32.138 6.228 -40.931 1.00 4.22 H new ATOM 397 N LYS A 26 30.328 4.071 -36.311 1.00 24.12 N ATOM 398 CA LYS A 26 30.885 2.723 -36.325 1.00 45.31 C ATOM 399 C LYS A 26 30.816 2.093 -34.938 1.00 52.32 C ATOM 400 O LYS A 26 30.628 0.884 -34.805 1.00 42.42 O ATOM 401 CB LYS A 26 32.335 2.753 -36.812 1.00 13.34 C ATOM 402 CG LYS A 26 32.479 2.537 -38.308 1.00 61.12 C ATOM 403 CD LYS A 26 33.924 2.680 -38.755 1.00 13.14 C ATOM 404 CE LYS A 26 34.114 2.203 -40.188 1.00 42.23 C ATOM 405 NZ LYS A 26 35.522 1.803 -40.458 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.594 4.628 -35.499 1.00 24.12 H new ATOM 0 HA LYS A 26 30.291 2.118 -37.010 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.778 3.713 -36.548 1.00 13.34 H new ATOM 0 HB3 LYS A 26 32.902 1.985 -36.286 1.00 13.34 H new ATOM 0 HG2 LYS A 26 32.113 1.545 -38.570 1.00 61.12 H new ATOM 0 HG3 LYS A 26 31.859 3.257 -38.842 1.00 61.12 H new ATOM 0 HD2 LYS A 26 34.230 3.723 -38.674 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.570 2.106 -38.091 1.00 13.14 H new ATOM 0 HE2 LYS A 26 33.453 1.358 -40.380 1.00 42.23 H new ATOM 0 HE3 LYS A 26 33.824 2.997 -40.876 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 35.609 1.485 -41.444 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 36.150 2.616 -40.300 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 35.791 1.028 -39.819 1.00 4.53 H new ATOM 419 N GLN A 27 30.967 2.920 -33.908 1.00 23.51 N ATOM 420 CA GLN A 27 30.921 2.442 -32.532 1.00 54.41 C ATOM 421 C GLN A 27 29.498 2.486 -31.987 1.00 32.12 C ATOM 422 O GLN A 27 28.684 3.307 -32.414 1.00 31.42 O ATOM 423 CB GLN A 27 31.845 3.280 -31.647 1.00 35.15 C ATOM 424 CG GLN A 27 31.362 4.707 -31.443 1.00 31.13 C ATOM 425 CD GLN A 27 32.156 5.446 -30.383 1.00 41.01 C ATOM 426 OE1 GLN A 27 31.587 6.119 -29.523 1.00 14.54 O ATOM 427 NE2 GLN A 27 33.477 5.325 -30.441 1.00 44.23 N ATOM 0 H GLN A 27 31.122 3.924 -34.001 1.00 23.51 H new ATOM 0 HA GLN A 27 31.262 1.407 -32.523 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.942 2.795 -30.675 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.840 3.302 -32.092 1.00 35.15 H new ATOM 0 HG2 GLN A 27 31.431 5.248 -32.387 1.00 31.13 H new ATOM 0 HG3 GLN A 27 30.310 4.693 -31.160 1.00 31.13 H new ATOM 0 HE21 GLN A 27 33.905 4.757 -31.172 1.00 44.23 H new ATOM 0 HE22 GLN A 27 34.063 5.800 -29.755 1.00 44.23 H new ATOM 436 N VAL A 28 29.202 1.600 -31.042 1.00 3.05 N ATOM 437 CA VAL A 28 27.876 1.539 -30.439 1.00 24.14 C ATOM 438 C VAL A 28 27.953 1.709 -28.925 1.00 72.01 C ATOM 439 O VAL A 28 28.606 0.926 -28.234 1.00 14.41 O ATOM 440 CB VAL A 28 27.174 0.206 -30.759 1.00 50.21 C ATOM 441 CG1 VAL A 28 28.034 -0.970 -30.322 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.806 0.152 -30.097 1.00 44.43 C ATOM 0 H VAL A 28 29.863 0.914 -30.677 1.00 3.05 H new ATOM 0 HA VAL A 28 27.296 2.358 -30.866 1.00 24.14 H new ATOM 0 HB VAL A 28 27.033 0.140 -31.838 1.00 50.21 H new ATOM 0 HG11 VAL A 28 27.521 -1.903 -30.556 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.988 -0.938 -30.848 1.00 4.54 H new ATOM 0 HG13 VAL A 28 28.210 -0.913 -29.248 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.324 -0.797 -30.334 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.921 0.241 -29.017 1.00 44.43 H new ATOM 0 HG23 VAL A 28 25.191 0.973 -30.465 1.00 44.43 H new ATOM 452 N VAL A 29 27.282 2.737 -28.416 1.00 62.35 N ATOM 453 CA VAL A 29 27.271 3.009 -26.984 1.00 73.41 C ATOM 454 C VAL A 29 25.908 2.703 -26.375 1.00 41.43 C ATOM 455 O VAL A 29 24.862 3.032 -26.934 1.00 63.42 O ATOM 456 CB VAL A 29 27.635 4.477 -26.688 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.134 4.695 -26.829 1.00 32.35 C ATOM 458 CG2 VAL A 29 26.864 5.411 -27.608 1.00 63.42 C ATOM 0 H VAL A 29 26.739 3.395 -28.974 1.00 62.35 H new ATOM 0 HA VAL A 29 28.021 2.358 -26.534 1.00 73.41 H new ATOM 0 HB VAL A 29 27.355 4.703 -25.659 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.372 5.737 -26.616 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.663 4.051 -26.126 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.443 4.453 -27.846 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.133 6.444 -27.386 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.112 5.187 -28.645 1.00 63.42 H new ATOM 0 HG23 VAL A 29 25.794 5.273 -27.453 1.00 63.42 H new ATOM 468 N PRO A 30 25.917 2.057 -25.198 1.00 73.00 N ATOM 469 CA PRO A 30 24.688 1.692 -24.487 1.00 3.14 C ATOM 470 C PRO A 30 23.961 2.909 -23.925 1.00 71.14 C ATOM 471 O PRO A 30 24.498 4.016 -23.917 1.00 11.03 O ATOM 472 CB PRO A 30 25.189 0.797 -23.351 1.00 20.11 C ATOM 473 CG PRO A 30 26.599 1.222 -23.126 1.00 44.03 C ATOM 474 CD PRO A 30 27.126 1.633 -24.473 1.00 41.22 C ATOM 0 HA PRO A 30 23.965 1.207 -25.143 1.00 3.14 H new ATOM 0 HB2 PRO A 30 24.588 0.927 -22.451 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.132 -0.257 -23.623 1.00 20.11 H new ATOM 0 HG2 PRO A 30 26.649 2.049 -22.418 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.190 0.408 -22.707 1.00 44.03 H new ATOM 0 HD2 PRO A 30 27.850 2.444 -24.391 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.628 0.807 -24.977 1.00 41.22 H new ATOM 482 N ALA A 31 22.736 2.696 -23.455 1.00 53.34 N ATOM 483 CA ALA A 31 21.937 3.775 -22.889 1.00 43.44 C ATOM 484 C ALA A 31 20.835 3.227 -21.988 1.00 41.51 C ATOM 485 O ALA A 31 19.865 2.638 -22.462 1.00 52.01 O ATOM 486 CB ALA A 31 21.338 4.626 -23.999 1.00 11.05 C ATOM 0 H ALA A 31 22.276 1.786 -23.455 1.00 53.34 H new ATOM 0 HA ALA A 31 22.592 4.399 -22.281 1.00 43.44 H new ATOM 0 HB1 ALA A 31 20.744 5.428 -23.562 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.139 5.055 -24.601 1.00 11.05 H new ATOM 0 HB3 ALA A 31 20.702 4.006 -24.630 1.00 11.05 H new ATOM 492 N LYS A 32 20.993 3.426 -20.683 1.00 42.21 N ATOM 493 CA LYS A 32 20.011 2.952 -19.713 1.00 42.03 C ATOM 494 C LYS A 32 18.756 3.819 -19.742 1.00 53.43 C ATOM 495 O LYS A 32 18.839 5.044 -19.825 1.00 15.15 O ATOM 496 CB LYS A 32 20.614 2.954 -18.306 1.00 10.13 C ATOM 497 CG LYS A 32 20.824 4.346 -17.736 1.00 15.14 C ATOM 498 CD LYS A 32 21.478 4.295 -16.365 1.00 43.25 C ATOM 499 CE LYS A 32 20.443 4.151 -15.260 1.00 41.14 C ATOM 500 NZ LYS A 32 20.927 4.717 -13.970 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.791 3.912 -20.273 1.00 42.21 H new ATOM 0 HA LYS A 32 19.733 1.933 -19.981 1.00 42.03 H new ATOM 0 HB2 LYS A 32 19.960 2.392 -17.639 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.571 2.432 -18.329 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.446 4.928 -18.415 1.00 15.14 H new ATOM 0 HG3 LYS A 32 19.865 4.859 -17.664 1.00 15.14 H new ATOM 0 HD2 LYS A 32 22.175 3.458 -16.324 1.00 43.25 H new ATOM 0 HD3 LYS A 32 22.060 5.202 -16.204 1.00 43.25 H new ATOM 0 HE2 LYS A 32 19.523 4.656 -15.556 1.00 41.14 H new ATOM 0 HE3 LYS A 32 20.199 3.097 -15.126 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 20.193 4.600 -13.242 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 21.791 4.219 -13.674 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 21.135 5.729 -14.091 1.00 23.12 H new ATOM 514 N ALA A 33 17.597 3.174 -19.671 1.00 74.42 N ATOM 515 CA ALA A 33 16.325 3.887 -19.685 1.00 62.44 C ATOM 516 C ALA A 33 15.601 3.744 -18.350 1.00 33.43 C ATOM 517 O ALA A 33 15.225 2.641 -17.951 1.00 52.11 O ATOM 518 CB ALA A 33 15.448 3.379 -20.819 1.00 44.12 C ATOM 0 H ALA A 33 17.512 2.160 -19.603 1.00 74.42 H new ATOM 0 HA ALA A 33 16.532 4.945 -19.846 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.502 3.920 -20.818 1.00 44.12 H new ATOM 0 HB2 ALA A 33 15.955 3.538 -21.771 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.258 2.314 -20.683 1.00 44.12 H new ATOM 524 N VAL A 34 15.409 4.866 -17.663 1.00 63.33 N ATOM 525 CA VAL A 34 14.729 4.866 -16.373 1.00 45.44 C ATOM 526 C VAL A 34 13.293 5.357 -16.509 1.00 54.42 C ATOM 527 O VAL A 34 13.012 6.283 -17.270 1.00 75.20 O ATOM 528 CB VAL A 34 15.468 5.748 -15.349 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.850 5.596 -13.968 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.950 5.405 -15.322 1.00 72.31 C ATOM 0 H VAL A 34 15.715 5.787 -17.978 1.00 63.33 H new ATOM 0 HA VAL A 34 14.725 3.836 -16.017 1.00 45.44 H new ATOM 0 HB VAL A 34 15.366 6.790 -15.652 1.00 12.22 H new ATOM 0 HG11 VAL A 34 15.386 6.227 -13.258 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.803 5.897 -14.003 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.918 4.555 -13.652 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.457 6.038 -14.593 1.00 72.31 H new ATOM 0 HG22 VAL A 34 17.076 4.359 -15.044 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.380 5.573 -16.309 1.00 72.31 H new ATOM 540 N CYS A 35 12.387 4.732 -15.765 1.00 52.54 N ATOM 541 CA CYS A 35 10.978 5.105 -15.802 1.00 31.55 C ATOM 542 C CYS A 35 10.806 6.604 -15.581 1.00 12.13 C ATOM 543 O CYS A 35 11.114 7.124 -14.510 1.00 51.25 O ATOM 544 CB CYS A 35 10.194 4.329 -14.742 1.00 11.41 C ATOM 545 SG CYS A 35 10.933 4.383 -13.092 1.00 13.12 S ATOM 0 H CYS A 35 12.603 3.965 -15.129 1.00 52.54 H new ATOM 0 HA CYS A 35 10.588 4.854 -16.788 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.182 4.729 -14.688 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.109 3.289 -15.057 1.00 11.41 H new ATOM 0 HG CYS A 35 11.407 5.573 -12.867 1.00 13.12 H new ATOM 551 N GLY A 36 10.314 7.296 -16.606 1.00 33.13 N ATOM 552 CA GLY A 36 10.113 8.730 -16.504 1.00 22.01 C ATOM 553 C GLY A 36 11.256 9.520 -17.109 1.00 2.31 C ATOM 554 O GLY A 36 11.349 10.733 -16.920 1.00 12.12 O ATOM 0 H GLY A 36 10.052 6.889 -17.504 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.183 9.000 -17.005 1.00 22.01 H new ATOM 0 HA3 GLY A 36 10.001 9.004 -15.455 1.00 22.01 H new ATOM 558 N SER A 37 12.129 8.832 -17.837 1.00 14.13 N ATOM 559 CA SER A 37 13.276 9.477 -18.467 1.00 31.10 C ATOM 560 C SER A 37 12.953 9.873 -19.905 1.00 73.20 C ATOM 561 O SER A 37 11.824 9.710 -20.369 1.00 73.03 O ATOM 562 CB SER A 37 14.489 8.545 -18.443 1.00 61.42 C ATOM 563 OG SER A 37 14.270 7.402 -19.252 1.00 54.42 O ATOM 0 H SER A 37 12.065 7.828 -18.006 1.00 14.13 H new ATOM 0 HA SER A 37 13.510 10.380 -17.903 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.370 9.081 -18.796 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.693 8.235 -17.418 1.00 61.42 H new ATOM 0 HG SER A 37 13.758 6.737 -18.747 1.00 54.42 H new ATOM 569 N THR A 38 13.954 10.395 -20.607 1.00 25.44 N ATOM 570 CA THR A 38 13.779 10.817 -21.991 1.00 13.34 C ATOM 571 C THR A 38 15.020 10.507 -22.822 1.00 44.22 C ATOM 572 O THR A 38 16.126 10.413 -22.291 1.00 73.14 O ATOM 573 CB THR A 38 13.476 12.324 -22.085 1.00 44.44 C ATOM 574 OG1 THR A 38 14.668 13.080 -21.847 1.00 11.42 O ATOM 575 CG2 THR A 38 12.406 12.725 -21.080 1.00 11.40 C ATOM 0 H THR A 38 14.895 10.536 -20.239 1.00 25.44 H new ATOM 0 HA THR A 38 12.931 10.258 -22.387 1.00 13.34 H new ATOM 0 HB THR A 38 13.107 12.535 -23.089 1.00 44.44 H new ATOM 0 HG1 THR A 38 14.463 14.037 -21.895 1.00 11.42 H new ATOM 0 HG21 THR A 38 12.209 13.794 -21.165 1.00 11.40 H new ATOM 0 HG22 THR A 38 11.490 12.170 -21.283 1.00 11.40 H new ATOM 0 HG23 THR A 38 12.751 12.499 -20.071 1.00 11.40 H new ATOM 583 N VAL A 39 14.828 10.351 -24.128 1.00 70.42 N ATOM 584 CA VAL A 39 15.932 10.054 -25.032 1.00 33.14 C ATOM 585 C VAL A 39 17.068 11.055 -24.860 1.00 42.12 C ATOM 586 O VAL A 39 18.196 10.682 -24.532 1.00 10.21 O ATOM 587 CB VAL A 39 15.472 10.062 -26.502 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.619 9.677 -27.423 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.287 9.128 -26.694 1.00 35.23 C ATOM 0 H VAL A 39 13.918 10.425 -24.583 1.00 70.42 H new ATOM 0 HA VAL A 39 16.290 9.056 -24.777 1.00 33.14 H new ATOM 0 HB VAL A 39 15.155 11.073 -26.760 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.275 9.688 -28.457 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.435 10.389 -27.305 1.00 4.01 H new ATOM 0 HG13 VAL A 39 16.970 8.677 -27.168 1.00 4.01 H new ATOM 0 HG21 VAL A 39 13.975 9.146 -27.738 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.575 8.113 -26.419 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.460 9.454 -26.063 1.00 35.23 H new ATOM 599 N LEU A 40 16.764 12.329 -25.083 1.00 4.40 N ATOM 600 CA LEU A 40 17.760 13.387 -24.953 1.00 4.13 C ATOM 601 C LEU A 40 18.429 13.339 -23.584 1.00 3.52 C ATOM 602 O LEU A 40 19.619 13.630 -23.452 1.00 65.40 O ATOM 603 CB LEU A 40 17.111 14.756 -25.168 1.00 11.34 C ATOM 604 CG LEU A 40 15.975 15.117 -24.211 1.00 34.30 C ATOM 605 CD1 LEU A 40 16.318 16.373 -23.426 1.00 31.55 C ATOM 606 CD2 LEU A 40 14.672 15.303 -24.974 1.00 22.30 C ATOM 0 H LEU A 40 15.836 12.654 -25.355 1.00 4.40 H new ATOM 0 HA LEU A 40 18.522 13.230 -25.716 1.00 4.13 H new ATOM 0 HB2 LEU A 40 17.885 15.520 -25.086 1.00 11.34 H new ATOM 0 HB3 LEU A 40 16.728 14.798 -26.188 1.00 11.34 H new ATOM 0 HG LEU A 40 15.846 14.296 -23.506 1.00 34.30 H new ATOM 0 HD11 LEU A 40 15.498 16.615 -22.750 1.00 31.55 H new ATOM 0 HD12 LEU A 40 17.227 16.204 -22.848 1.00 31.55 H new ATOM 0 HD13 LEU A 40 16.476 17.202 -24.116 1.00 31.55 H new ATOM 0 HD21 LEU A 40 13.875 15.559 -24.276 1.00 22.30 H new ATOM 0 HD22 LEU A 40 14.788 16.105 -25.703 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.418 14.378 -25.491 1.00 22.30 H new ATOM 618 N ASP A 41 17.659 12.970 -22.567 1.00 72.45 N ATOM 619 CA ASP A 41 18.178 12.881 -21.207 1.00 42.14 C ATOM 620 C ASP A 41 19.091 11.668 -21.052 1.00 25.23 C ATOM 621 O ASP A 41 19.988 11.657 -20.209 1.00 10.41 O ATOM 622 CB ASP A 41 17.026 12.799 -20.204 1.00 13.44 C ATOM 623 CG ASP A 41 17.513 12.718 -18.770 1.00 24.42 C ATOM 624 OD1 ASP A 41 17.695 13.785 -18.143 1.00 41.20 O ATOM 625 OD2 ASP A 41 17.711 11.591 -18.273 1.00 64.23 O1- ATOM 0 H ASP A 41 16.672 12.727 -22.658 1.00 72.45 H new ATOM 0 HA ASP A 41 18.761 13.780 -21.007 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.385 13.673 -20.318 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.415 11.924 -20.427 1.00 13.44 H new ATOM 630 N VAL A 42 18.854 10.648 -21.870 1.00 2.11 N ATOM 631 CA VAL A 42 19.654 9.430 -21.825 1.00 13.25 C ATOM 632 C VAL A 42 21.013 9.641 -22.484 1.00 11.24 C ATOM 633 O VAL A 42 22.047 9.264 -21.933 1.00 54.34 O ATOM 634 CB VAL A 42 18.935 8.259 -22.520 1.00 43.20 C ATOM 635 CG1 VAL A 42 19.816 7.019 -22.526 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.604 7.974 -21.842 1.00 61.21 C ATOM 0 H VAL A 42 18.114 10.641 -22.572 1.00 2.11 H new ATOM 0 HA VAL A 42 19.797 9.184 -20.773 1.00 13.25 H new ATOM 0 HB VAL A 42 18.737 8.539 -23.555 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.291 6.202 -23.021 1.00 3.53 H new ATOM 0 HG12 VAL A 42 20.741 7.233 -23.061 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.048 6.732 -21.500 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.109 7.144 -22.346 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.776 7.714 -20.798 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.971 8.860 -21.896 1.00 61.21 H new ATOM 646 N ALA A 43 21.003 10.244 -23.668 1.00 21.42 N ATOM 647 CA ALA A 43 22.235 10.508 -24.402 1.00 20.42 C ATOM 648 C ALA A 43 23.216 11.312 -23.555 1.00 42.52 C ATOM 649 O ALA A 43 24.431 11.208 -23.729 1.00 14.32 O ATOM 650 CB ALA A 43 21.929 11.240 -25.699 1.00 62.22 C ATOM 0 H ALA A 43 20.155 10.559 -24.140 1.00 21.42 H new ATOM 0 HA ALA A 43 22.701 9.552 -24.640 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.858 11.431 -26.237 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.271 10.628 -26.316 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.438 12.187 -25.475 1.00 62.22 H new ATOM 656 N HIS A 44 22.683 12.114 -22.640 1.00 12.51 N ATOM 657 CA HIS A 44 23.512 12.937 -21.767 1.00 50.24 C ATOM 658 C HIS A 44 24.274 12.071 -20.768 1.00 54.31 C ATOM 659 O HIS A 44 25.397 12.395 -20.379 1.00 12.45 O ATOM 660 CB HIS A 44 22.651 13.956 -21.022 1.00 75.20 C ATOM 661 CG HIS A 44 23.447 14.962 -20.248 1.00 61.53 C ATOM 662 ND1 HIS A 44 22.953 15.625 -19.145 1.00 44.12 N ATOM 663 CD2 HIS A 44 24.711 15.415 -20.424 1.00 13.23 C ATOM 664 CE1 HIS A 44 23.878 16.444 -18.676 1.00 32.52 C ATOM 665 NE2 HIS A 44 24.953 16.336 -19.435 1.00 53.52 N ATOM 0 H HIS A 44 21.680 12.212 -22.483 1.00 12.51 H new ATOM 0 HA HIS A 44 24.234 13.468 -22.387 1.00 50.24 H new ATOM 0 HB2 HIS A 44 22.019 14.479 -21.740 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.986 13.427 -20.339 1.00 75.20 H new ATOM 0 HD2 HIS A 44 25.400 15.109 -21.198 1.00 13.23 H new ATOM 0 HE1 HIS A 44 23.773 17.091 -17.818 1.00 32.52 H new ATOM 0 HE2 HIS A 44 25.823 16.853 -19.307 1.00 53.52 H new ATOM 673 N LYS A 45 23.658 10.969 -20.356 1.00 13.22 N ATOM 674 CA LYS A 45 24.277 10.056 -19.403 1.00 44.10 C ATOM 675 C LYS A 45 25.473 9.345 -20.028 1.00 71.53 C ATOM 676 O LYS A 45 26.577 9.372 -19.486 1.00 73.03 O ATOM 677 CB LYS A 45 23.255 9.025 -18.915 1.00 74.53 C ATOM 678 CG LYS A 45 21.940 9.638 -18.468 1.00 40.45 C ATOM 679 CD LYS A 45 22.124 10.527 -17.250 1.00 63.15 C ATOM 680 CE LYS A 45 22.234 9.707 -15.973 1.00 32.12 C ATOM 681 NZ LYS A 45 23.640 9.303 -15.693 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.729 10.686 -20.668 1.00 13.22 H new ATOM 0 HA LYS A 45 24.628 10.641 -18.553 1.00 44.10 H new ATOM 0 HB2 LYS A 45 23.060 8.312 -19.716 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.685 8.464 -18.086 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.514 10.221 -19.284 1.00 40.45 H new ATOM 0 HG3 LYS A 45 21.228 8.846 -18.237 1.00 40.45 H new ATOM 0 HD2 LYS A 45 23.022 11.133 -17.373 1.00 63.15 H new ATOM 0 HD3 LYS A 45 21.283 11.216 -17.170 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.849 10.287 -15.134 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.610 8.817 -16.058 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 23.712 8.266 -15.702 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 24.267 9.700 -16.422 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 23.925 9.661 -14.759 1.00 61.40 H new ATOM 695 N ASN A 46 25.246 8.711 -21.175 1.00 44.51 N ATOM 696 CA ASN A 46 26.305 7.994 -21.875 1.00 43.23 C ATOM 697 C ASN A 46 27.291 8.968 -22.513 1.00 15.11 C ATOM 698 O ASN A 46 28.459 8.641 -22.717 1.00 20.00 O ATOM 699 CB ASN A 46 25.709 7.079 -22.946 1.00 55.02 C ATOM 700 CG ASN A 46 26.771 6.310 -23.707 1.00 74.42 C ATOM 701 OD1 ASN A 46 27.324 6.802 -24.692 1.00 22.42 O ATOM 702 ND2 ASN A 46 27.063 5.097 -23.252 1.00 50.43 N ATOM 0 H ASN A 46 24.338 8.680 -21.639 1.00 44.51 H new ATOM 0 HA ASN A 46 26.841 7.387 -21.146 1.00 43.23 H new ATOM 0 HB2 ASN A 46 25.021 6.375 -22.477 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.125 7.676 -23.646 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.771 4.533 -23.722 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.580 4.730 -22.432 1.00 50.43 H new ATOM 709 N GLY A 47 26.811 10.167 -22.827 1.00 71.54 N ATOM 710 CA GLY A 47 27.662 11.172 -23.439 1.00 65.12 C ATOM 711 C GLY A 47 27.374 11.354 -24.916 1.00 62.25 C ATOM 712 O GLY A 47 27.956 12.223 -25.566 1.00 22.30 O ATOM 0 H GLY A 47 25.847 10.461 -22.669 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.523 12.123 -22.925 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.706 10.888 -23.308 1.00 65.12 H new ATOM 716 N VAL A 48 26.475 10.532 -25.448 1.00 31.22 N ATOM 717 CA VAL A 48 26.111 10.607 -26.858 1.00 41.02 C ATOM 718 C VAL A 48 25.726 12.028 -27.251 1.00 3.44 C ATOM 719 O VAL A 48 25.077 12.741 -26.485 1.00 22.32 O ATOM 720 CB VAL A 48 24.943 9.660 -27.186 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.664 9.655 -28.682 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.240 8.254 -26.687 1.00 32.44 C ATOM 0 H VAL A 48 25.985 9.807 -24.924 1.00 31.22 H new ATOM 0 HA VAL A 48 26.988 10.301 -27.429 1.00 41.02 H new ATOM 0 HB VAL A 48 24.051 10.021 -26.675 1.00 34.34 H new ATOM 0 HG11 VAL A 48 23.835 8.980 -28.895 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.404 10.662 -29.007 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.552 9.319 -29.217 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.403 7.598 -26.928 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.144 7.880 -27.168 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.386 8.274 -25.607 1.00 32.44 H new ATOM 732 N ASP A 49 26.128 12.434 -28.451 1.00 40.14 N ATOM 733 CA ASP A 49 25.823 13.771 -28.947 1.00 14.22 C ATOM 734 C ASP A 49 24.477 13.789 -29.667 1.00 34.02 C ATOM 735 O ASP A 49 24.418 13.737 -30.895 1.00 75.21 O ATOM 736 CB ASP A 49 26.926 14.251 -29.892 1.00 52.55 C ATOM 737 CG ASP A 49 26.589 15.573 -30.551 1.00 23.12 C ATOM 738 OD1 ASP A 49 27.190 15.884 -31.601 1.00 1.55 O ATOM 739 OD2 ASP A 49 25.723 16.299 -30.017 1.00 61.21 O1- ATOM 0 H ASP A 49 26.665 11.857 -29.098 1.00 40.14 H new ATOM 0 HA ASP A 49 25.768 14.445 -28.092 1.00 14.22 H new ATOM 0 HB2 ASP A 49 27.858 14.353 -29.336 1.00 52.55 H new ATOM 0 HB3 ASP A 49 27.095 13.497 -30.661 1.00 52.55 H new ATOM 744 N LEU A 50 23.400 13.863 -28.893 1.00 12.10 N ATOM 745 CA LEU A 50 22.054 13.887 -29.456 1.00 14.20 C ATOM 746 C LEU A 50 21.571 15.321 -29.649 1.00 31.24 C ATOM 747 O LEU A 50 21.377 16.057 -28.682 1.00 24.23 O ATOM 748 CB LEU A 50 21.086 13.130 -28.545 1.00 11.15 C ATOM 749 CG LEU A 50 19.878 12.493 -29.232 1.00 12.15 C ATOM 750 CD1 LEU A 50 20.325 11.396 -30.187 1.00 70.43 C ATOM 751 CD2 LEU A 50 18.907 11.941 -28.200 1.00 5.33 C ATOM 0 H LEU A 50 23.432 13.907 -27.874 1.00 12.10 H new ATOM 0 HA LEU A 50 22.085 13.399 -30.430 1.00 14.20 H new ATOM 0 HB2 LEU A 50 21.641 12.346 -28.030 1.00 11.15 H new ATOM 0 HB3 LEU A 50 20.724 13.818 -27.781 1.00 11.15 H new ATOM 0 HG LEU A 50 19.364 13.262 -29.809 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.452 10.954 -30.667 1.00 70.43 H new ATOM 0 HD12 LEU A 50 20.981 11.820 -30.947 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.862 10.627 -29.632 1.00 70.43 H new ATOM 0 HD21 LEU A 50 18.053 11.491 -28.707 1.00 5.33 H new ATOM 0 HD22 LEU A 50 19.409 11.185 -27.596 1.00 5.33 H new ATOM 0 HD23 LEU A 50 18.562 12.750 -27.556 1.00 5.33 H new ATOM 763 N GLU A 51 21.379 15.710 -30.906 1.00 42.03 N ATOM 764 CA GLU A 51 20.917 17.056 -31.226 1.00 10.23 C ATOM 765 C GLU A 51 19.530 17.308 -30.642 1.00 13.54 C ATOM 766 O GLU A 51 18.739 16.382 -30.470 1.00 53.10 O ATOM 767 CB GLU A 51 20.889 17.263 -32.742 1.00 31.11 C ATOM 768 CG GLU A 51 22.270 17.318 -33.374 1.00 52.24 C ATOM 769 CD GLU A 51 23.103 18.475 -32.856 1.00 43.15 C ATOM 770 OE1 GLU A 51 24.059 18.222 -32.093 1.00 1.52 O ATOM 771 OE2 GLU A 51 22.799 19.632 -33.213 1.00 52.23 O1- ATOM 0 H GLU A 51 21.536 15.113 -31.718 1.00 42.03 H new ATOM 0 HA GLU A 51 21.614 17.767 -30.782 1.00 10.23 H new ATOM 0 HB2 GLU A 51 20.321 16.454 -33.200 1.00 31.11 H new ATOM 0 HB3 GLU A 51 20.360 18.190 -32.964 1.00 31.11 H new ATOM 0 HG2 GLU A 51 22.793 16.382 -33.177 1.00 52.24 H new ATOM 0 HG3 GLU A 51 22.167 17.405 -34.456 1.00 52.24 H new ATOM 778 N GLY A 52 19.243 18.570 -30.338 1.00 12.13 N ATOM 779 CA GLY A 52 17.952 18.922 -29.776 1.00 24.25 C ATOM 780 C GLY A 52 17.438 20.252 -30.294 1.00 2.30 C ATOM 781 O GLY A 52 16.624 20.906 -29.641 1.00 4.31 O ATOM 0 H GLY A 52 19.881 19.355 -30.471 1.00 12.13 H new ATOM 0 HA2 GLY A 52 17.231 18.140 -30.013 1.00 24.25 H new ATOM 0 HA3 GLY A 52 18.031 18.965 -28.690 1.00 24.25 H new ATOM 785 N ALA A 53 17.915 20.653 -31.467 1.00 52.12 N ATOM 786 CA ALA A 53 17.498 21.913 -32.071 1.00 33.42 C ATOM 787 C ALA A 53 16.597 21.672 -33.277 1.00 10.05 C ATOM 788 O ALA A 53 17.040 21.151 -34.301 1.00 55.30 O ATOM 789 CB ALA A 53 18.714 22.733 -32.473 1.00 50.15 C ATOM 0 H ALA A 53 18.591 20.124 -32.019 1.00 52.12 H new ATOM 0 HA ALA A 53 16.926 22.471 -31.330 1.00 33.42 H new ATOM 0 HB1 ALA A 53 18.388 23.671 -32.923 1.00 50.15 H new ATOM 0 HB2 ALA A 53 19.318 22.944 -31.591 1.00 50.15 H new ATOM 0 HB3 ALA A 53 19.309 22.172 -33.194 1.00 50.15 H new ATOM 795 N CYS A 54 15.331 22.053 -33.150 1.00 34.24 N ATOM 796 CA CYS A 54 14.367 21.879 -34.229 1.00 31.12 C ATOM 797 C CYS A 54 14.521 22.975 -35.281 1.00 14.45 C ATOM 798 O CYS A 54 14.182 22.781 -36.447 1.00 72.33 O ATOM 799 CB CYS A 54 12.941 21.887 -33.675 1.00 13.14 C ATOM 800 SG CYS A 54 11.811 20.729 -34.511 1.00 52.32 S ATOM 0 H CYS A 54 14.948 22.485 -32.309 1.00 34.24 H new ATOM 0 HA CYS A 54 14.561 20.916 -34.702 1.00 31.12 H new ATOM 0 HB2 CYS A 54 12.974 21.643 -32.613 1.00 13.14 H new ATOM 0 HB3 CYS A 54 12.536 22.896 -33.758 1.00 13.14 H new ATOM 805 N GLU A 55 15.037 24.124 -34.857 1.00 44.31 N ATOM 806 CA GLU A 55 15.236 25.250 -35.761 1.00 23.53 C ATOM 807 C GLU A 55 16.451 25.022 -36.656 1.00 64.25 C ATOM 808 O GLU A 55 16.534 25.560 -37.758 1.00 31.55 O ATOM 809 CB GLU A 55 15.412 26.547 -34.967 1.00 10.53 C ATOM 810 CG GLU A 55 15.312 27.800 -35.820 1.00 5.40 C ATOM 811 CD GLU A 55 15.211 29.064 -34.988 1.00 64.45 C ATOM 812 OE1 GLU A 55 16.257 29.701 -34.746 1.00 45.22 O ATOM 813 OE2 GLU A 55 14.085 29.416 -34.578 1.00 62.34 O1- ATOM 0 H GLU A 55 15.324 24.299 -33.894 1.00 44.31 H new ATOM 0 HA GLU A 55 14.351 25.335 -36.392 1.00 23.53 H new ATOM 0 HB2 GLU A 55 14.655 26.589 -34.184 1.00 10.53 H new ATOM 0 HB3 GLU A 55 16.383 26.531 -34.472 1.00 10.53 H new ATOM 0 HG2 GLU A 55 16.186 27.865 -36.468 1.00 5.40 H new ATOM 0 HG3 GLU A 55 14.439 27.725 -36.468 1.00 5.40 H new ATOM 820 N GLY A 56 17.393 24.217 -36.172 1.00 75.32 N ATOM 821 CA GLY A 56 18.591 23.931 -36.939 1.00 1.23 C ATOM 822 C GLY A 56 18.279 23.451 -38.343 1.00 63.33 C ATOM 823 O GLY A 56 17.203 22.915 -38.598 1.00 13.22 O ATOM 0 H GLY A 56 17.347 23.758 -35.262 1.00 75.32 H new ATOM 0 HA2 GLY A 56 19.207 24.829 -36.994 1.00 1.23 H new ATOM 0 HA3 GLY A 56 19.178 23.173 -36.421 1.00 1.23 H new ATOM 827 N ASN A 57 19.225 23.646 -39.256 1.00 3.24 N ATOM 828 CA ASN A 57 19.046 23.230 -40.643 1.00 41.34 C ATOM 829 C ASN A 57 19.788 21.926 -40.921 1.00 5.42 C ATOM 830 O ASN A 57 19.178 20.915 -41.274 1.00 72.25 O ATOM 831 CB ASN A 57 19.538 24.323 -41.592 1.00 73.33 C ATOM 832 CG ASN A 57 19.328 23.962 -43.050 1.00 30.11 C ATOM 833 OD1 ASN A 57 18.224 23.600 -43.459 1.00 73.05 O ATOM 834 ND2 ASN A 57 20.389 24.058 -43.843 1.00 42.23 N ATOM 0 H ASN A 57 20.123 24.089 -39.061 1.00 3.24 H new ATOM 0 HA ASN A 57 17.982 23.064 -40.812 1.00 41.34 H new ATOM 0 HB2 ASN A 57 19.015 25.254 -41.372 1.00 73.33 H new ATOM 0 HB3 ASN A 57 20.598 24.504 -41.415 1.00 73.33 H new ATOM 0 HD21 ASN A 57 20.308 23.828 -44.833 1.00 42.23 H new ATOM 0 HD22 ASN A 57 21.285 24.362 -43.462 1.00 42.23 H new ATOM 841 N LEU A 58 21.105 21.956 -40.760 1.00 4.42 N ATOM 842 CA LEU A 58 21.932 20.777 -40.993 1.00 41.34 C ATOM 843 C LEU A 58 21.416 19.585 -40.193 1.00 13.11 C ATOM 844 O LEU A 58 21.585 18.435 -40.598 1.00 5.40 O ATOM 845 CB LEU A 58 23.387 21.067 -40.618 1.00 23.44 C ATOM 846 CG LEU A 58 24.427 20.086 -41.159 1.00 3.22 C ATOM 847 CD1 LEU A 58 24.933 20.540 -42.519 1.00 33.31 C ATOM 848 CD2 LEU A 58 25.582 19.942 -40.179 1.00 72.14 C ATOM 0 H LEU A 58 21.624 22.784 -40.469 1.00 4.42 H new ATOM 0 HA LEU A 58 21.880 20.530 -42.053 1.00 41.34 H new ATOM 0 HB2 LEU A 58 23.640 22.066 -40.972 1.00 23.44 H new ATOM 0 HB3 LEU A 58 23.465 21.085 -39.531 1.00 23.44 H new ATOM 0 HG LEU A 58 23.953 19.112 -41.278 1.00 3.22 H new ATOM 0 HD11 LEU A 58 25.672 19.829 -42.888 1.00 33.31 H new ATOM 0 HD12 LEU A 58 24.099 20.592 -43.219 1.00 33.31 H new ATOM 0 HD13 LEU A 58 25.391 21.525 -42.427 1.00 33.31 H new ATOM 0 HD21 LEU A 58 26.314 19.240 -40.579 1.00 72.14 H new ATOM 0 HD22 LEU A 58 26.055 20.913 -40.029 1.00 72.14 H new ATOM 0 HD23 LEU A 58 25.206 19.570 -39.226 1.00 72.14 H new ATOM 860 N ALA A 59 20.786 19.868 -39.059 1.00 41.33 N ATOM 861 CA ALA A 59 20.242 18.820 -38.204 1.00 2.32 C ATOM 862 C ALA A 59 19.035 19.321 -37.420 1.00 51.33 C ATOM 863 O ALA A 59 19.121 20.310 -36.691 1.00 34.41 O ATOM 864 CB ALA A 59 21.314 18.303 -37.254 1.00 14.22 C ATOM 0 H ALA A 59 20.639 20.815 -38.710 1.00 41.33 H new ATOM 0 HA ALA A 59 19.912 18.001 -38.843 1.00 2.32 H new ATOM 0 HB1 ALA A 59 20.893 17.521 -36.622 1.00 14.22 H new ATOM 0 HB2 ALA A 59 22.145 17.896 -37.830 1.00 14.22 H new ATOM 0 HB3 ALA A 59 21.672 19.121 -36.629 1.00 14.22 H new ATOM 870 N CYS A 60 17.908 18.634 -37.575 1.00 2.12 N ATOM 871 CA CYS A 60 16.681 19.011 -36.883 1.00 54.43 C ATOM 872 C CYS A 60 16.411 18.075 -35.707 1.00 5.00 C ATOM 873 O CYS A 60 15.439 17.322 -35.712 1.00 74.54 O ATOM 874 CB CYS A 60 15.496 18.986 -37.851 1.00 24.54 C ATOM 875 SG CYS A 60 13.988 19.773 -37.200 1.00 11.23 S ATOM 0 H CYS A 60 17.819 17.813 -38.174 1.00 2.12 H new ATOM 0 HA CYS A 60 16.806 20.023 -36.499 1.00 54.43 H new ATOM 0 HB2 CYS A 60 15.785 19.487 -38.775 1.00 24.54 H new ATOM 0 HB3 CYS A 60 15.271 17.951 -38.107 1.00 24.54 H new ATOM 880 N SER A 61 17.279 18.132 -34.702 1.00 41.10 N ATOM 881 CA SER A 61 17.137 17.287 -33.522 1.00 5.01 C ATOM 882 C SER A 61 17.124 15.812 -33.907 1.00 10.13 C ATOM 883 O SER A 61 16.412 15.007 -33.306 1.00 62.51 O ATOM 884 CB SER A 61 15.854 17.641 -32.767 1.00 20.22 C ATOM 885 OG SER A 61 15.619 19.040 -32.787 1.00 65.32 O ATOM 0 H SER A 61 18.087 18.754 -34.681 1.00 41.10 H new ATOM 0 HA SER A 61 17.994 17.466 -32.872 1.00 5.01 H new ATOM 0 HB2 SER A 61 15.008 17.121 -33.217 1.00 20.22 H new ATOM 0 HB3 SER A 61 15.928 17.296 -31.736 1.00 20.22 H new ATOM 0 HG SER A 61 14.793 19.240 -32.299 1.00 65.32 H new ATOM 891 N THR A 62 17.916 15.463 -34.916 1.00 5.34 N ATOM 892 CA THR A 62 17.996 14.085 -35.384 1.00 25.42 C ATOM 893 C THR A 62 16.607 13.506 -35.627 1.00 13.55 C ATOM 894 O THR A 62 16.326 12.364 -35.261 1.00 62.32 O ATOM 895 CB THR A 62 18.742 13.191 -34.376 1.00 15.43 C ATOM 896 OG1 THR A 62 17.895 12.897 -33.260 1.00 10.45 O ATOM 897 CG2 THR A 62 20.014 13.870 -33.889 1.00 33.53 C ATOM 0 H THR A 62 18.511 16.116 -35.425 1.00 5.34 H new ATOM 0 HA THR A 62 18.550 14.102 -36.323 1.00 25.42 H new ATOM 0 HB THR A 62 19.014 12.263 -34.879 1.00 15.43 H new ATOM 0 HG1 THR A 62 17.156 13.540 -33.232 1.00 10.45 H new ATOM 0 HG21 THR A 62 20.524 13.220 -33.178 1.00 33.53 H new ATOM 0 HG22 THR A 62 20.670 14.065 -34.737 1.00 33.53 H new ATOM 0 HG23 THR A 62 19.760 14.812 -33.402 1.00 33.53 H new ATOM 905 N CYS A 63 15.740 14.299 -36.249 1.00 12.42 N ATOM 906 CA CYS A 63 14.380 13.866 -36.541 1.00 3.52 C ATOM 907 C CYS A 63 14.384 12.610 -37.408 1.00 2.45 C ATOM 908 O CYS A 63 13.446 11.813 -37.370 1.00 4.13 O ATOM 909 CB CYS A 63 13.607 14.983 -37.245 1.00 25.53 C ATOM 910 SG CYS A 63 11.797 14.856 -37.075 1.00 22.10 S ATOM 0 H CYS A 63 15.957 15.246 -36.560 1.00 12.42 H new ATOM 0 HA CYS A 63 13.888 13.633 -35.597 1.00 3.52 H new ATOM 0 HB2 CYS A 63 13.932 15.943 -36.845 1.00 25.53 H new ATOM 0 HB3 CYS A 63 13.863 14.976 -38.304 1.00 25.53 H new ATOM 915 N HIS A 64 15.445 12.442 -38.191 1.00 63.44 N ATOM 916 CA HIS A 64 15.572 11.283 -39.067 1.00 3.42 C ATOM 917 C HIS A 64 16.781 10.438 -38.679 1.00 30.22 C ATOM 918 O HIS A 64 17.919 10.777 -39.005 1.00 61.33 O ATOM 919 CB HIS A 64 15.694 11.730 -40.524 1.00 52.43 C ATOM 920 CG HIS A 64 16.712 12.808 -40.737 1.00 13.30 C ATOM 921 ND1 HIS A 64 16.475 14.135 -40.445 1.00 62.35 N ATOM 922 CD2 HIS A 64 17.977 12.750 -41.213 1.00 65.44 C ATOM 923 CE1 HIS A 64 17.549 14.846 -40.735 1.00 13.15 C ATOM 924 NE2 HIS A 64 18.476 14.029 -41.203 1.00 23.12 N ATOM 0 H HIS A 64 16.229 13.093 -38.237 1.00 63.44 H new ATOM 0 HA HIS A 64 14.675 10.674 -38.955 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.955 10.869 -41.139 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.723 12.085 -40.869 1.00 52.43 H new ATOM 0 HD2 HIS A 64 18.498 11.862 -41.540 1.00 65.44 H new ATOM 0 HE1 HIS A 64 17.652 15.914 -40.611 1.00 13.15 H new ATOM 0 HE2 HIS A 64 19.410 14.304 -41.507 1.00 23.12 H new ATOM 932 N VAL A 65 16.528 9.336 -37.981 1.00 61.11 N ATOM 933 CA VAL A 65 17.596 8.442 -37.548 1.00 32.34 C ATOM 934 C VAL A 65 17.289 6.997 -37.925 1.00 22.50 C ATOM 935 O VAL A 65 16.153 6.660 -38.261 1.00 34.33 O ATOM 936 CB VAL A 65 17.819 8.529 -36.028 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.004 9.975 -35.596 1.00 72.25 C ATOM 938 CG2 VAL A 65 16.658 7.887 -35.282 1.00 23.01 C ATOM 0 H VAL A 65 15.592 9.040 -37.703 1.00 61.11 H new ATOM 0 HA VAL A 65 18.504 8.762 -38.059 1.00 32.34 H new ATOM 0 HB VAL A 65 18.729 7.982 -35.781 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.160 10.016 -34.518 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.870 10.399 -36.104 1.00 72.25 H new ATOM 0 HG13 VAL A 65 17.114 10.549 -35.855 1.00 72.25 H new ATOM 0 HG21 VAL A 65 16.832 7.957 -34.208 1.00 23.01 H new ATOM 0 HG22 VAL A 65 15.733 8.405 -35.534 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.577 6.838 -35.568 1.00 23.01 H new ATOM 948 N ILE A 66 18.310 6.147 -37.867 1.00 21.12 N ATOM 949 CA ILE A 66 18.148 4.737 -38.200 1.00 32.41 C ATOM 950 C ILE A 66 17.745 3.925 -36.974 1.00 54.10 C ATOM 951 O ILE A 66 18.334 4.065 -35.901 1.00 14.31 O ATOM 952 CB ILE A 66 19.442 4.146 -38.790 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.855 4.919 -40.044 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.254 2.670 -39.107 1.00 64.43 C ATOM 955 CD1 ILE A 66 21.287 5.408 -40.009 1.00 62.21 C ATOM 0 H ILE A 66 19.257 6.410 -37.593 1.00 21.12 H new ATOM 0 HA ILE A 66 17.357 4.678 -38.948 1.00 32.41 H new ATOM 0 HB ILE A 66 20.237 4.239 -38.051 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.719 4.280 -40.916 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.191 5.774 -40.169 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.177 2.267 -39.523 1.00 64.43 H new ATOM 0 HG22 ILE A 66 19.002 2.131 -38.194 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.448 2.553 -39.831 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.510 5.947 -40.930 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.423 6.074 -39.157 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.960 4.556 -39.915 1.00 62.21 H new ATOM 967 N LEU A 67 16.738 3.074 -37.140 1.00 62.31 N ATOM 968 CA LEU A 67 16.256 2.236 -36.047 1.00 64.04 C ATOM 969 C LEU A 67 16.235 0.767 -36.456 1.00 12.11 C ATOM 970 O LEU A 67 16.120 0.444 -37.638 1.00 61.41 O ATOM 971 CB LEU A 67 14.857 2.679 -35.619 1.00 53.02 C ATOM 972 CG LEU A 67 14.288 1.996 -34.373 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.201 2.222 -33.178 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.885 2.507 -34.078 1.00 10.33 C ATOM 0 H LEU A 67 16.240 2.946 -38.021 1.00 62.31 H new ATOM 0 HA LEU A 67 16.939 2.349 -35.205 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.876 3.754 -35.443 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.173 2.504 -36.449 1.00 53.02 H new ATOM 0 HG LEU A 67 14.230 0.924 -34.564 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.781 1.730 -32.301 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.187 1.808 -33.390 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.291 3.291 -32.986 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.496 2.010 -33.189 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.918 3.583 -33.907 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.234 2.294 -34.926 1.00 10.33 H new ATOM 986 N GLU A 68 16.345 -0.118 -35.470 1.00 71.02 N ATOM 987 CA GLU A 68 16.337 -1.553 -35.728 1.00 2.24 C ATOM 988 C GLU A 68 15.202 -1.928 -36.676 1.00 45.14 C ATOM 989 O GLU A 68 14.137 -1.313 -36.661 1.00 70.41 O ATOM 990 CB GLU A 68 16.198 -2.329 -34.417 1.00 2.12 C ATOM 991 CG GLU A 68 17.369 -3.254 -34.130 1.00 61.11 C ATOM 992 CD GLU A 68 17.322 -4.526 -34.954 1.00 60.41 C ATOM 993 OE1 GLU A 68 17.647 -4.465 -36.158 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.960 -5.583 -34.395 1.00 54.52 O1- ATOM 0 H GLU A 68 16.441 0.133 -34.486 1.00 71.02 H new ATOM 0 HA GLU A 68 17.284 -1.817 -36.199 1.00 2.24 H new ATOM 0 HB2 GLU A 68 16.095 -1.621 -33.595 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.281 -2.917 -34.448 1.00 2.12 H new ATOM 0 HG2 GLU A 68 18.302 -2.728 -34.334 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.373 -3.511 -33.071 1.00 61.11 H new ATOM 1001 N GLU A 69 15.439 -2.943 -37.501 1.00 22.44 N ATOM 1002 CA GLU A 69 14.439 -3.401 -38.458 1.00 73.04 C ATOM 1003 C GLU A 69 13.127 -3.738 -37.753 1.00 43.43 C ATOM 1004 O GLU A 69 12.079 -3.154 -38.025 1.00 23.14 O ATOM 1005 CB GLU A 69 14.950 -4.624 -39.221 1.00 71.35 C ATOM 1006 CG GLU A 69 15.207 -4.360 -40.695 1.00 42.54 C ATOM 1007 CD GLU A 69 15.732 -5.580 -41.424 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.968 -5.749 -41.483 1.00 54.15 O ATOM 1009 OE2 GLU A 69 14.908 -6.367 -41.936 1.00 42.34 O1- ATOM 0 H GLU A 69 16.316 -3.464 -37.526 1.00 22.44 H new ATOM 0 HA GLU A 69 14.255 -2.593 -39.166 1.00 73.04 H new ATOM 0 HB2 GLU A 69 15.873 -4.971 -38.757 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.223 -5.430 -39.127 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.282 -4.029 -41.167 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.925 -3.546 -40.794 1.00 42.54 H new ATOM 1016 N PRO A 70 13.186 -4.706 -36.826 1.00 54.22 N ATOM 1017 CA PRO A 70 12.014 -5.144 -36.063 1.00 20.10 C ATOM 1018 C PRO A 70 11.540 -4.086 -35.072 1.00 1.22 C ATOM 1019 O PRO A 70 10.342 -3.819 -34.960 1.00 33.25 O ATOM 1020 CB PRO A 70 12.517 -6.385 -35.321 1.00 54.11 C ATOM 1021 CG PRO A 70 13.989 -6.190 -35.211 1.00 53.54 C ATOM 1022 CD PRO A 70 14.403 -5.446 -36.450 1.00 23.21 C ATOM 0 HA PRO A 70 11.156 -5.335 -36.707 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.055 -6.473 -34.338 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.278 -7.297 -35.868 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.242 -5.625 -34.314 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.505 -7.147 -35.140 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.238 -4.773 -36.255 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.720 -6.126 -37.240 1.00 23.21 H new ATOM 1030 N LEU A 71 12.484 -3.489 -34.354 1.00 73.21 N ATOM 1031 CA LEU A 71 12.163 -2.460 -33.372 1.00 71.13 C ATOM 1032 C LEU A 71 11.305 -1.362 -33.993 1.00 14.24 C ATOM 1033 O LEU A 71 10.313 -0.929 -33.407 1.00 22.31 O ATOM 1034 CB LEU A 71 13.446 -1.857 -32.797 1.00 11.33 C ATOM 1035 CG LEU A 71 13.344 -1.287 -31.382 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.378 -0.115 -31.345 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.912 -2.368 -30.402 1.00 52.41 C ATOM 0 H LEU A 71 13.479 -3.700 -34.433 1.00 73.21 H new ATOM 0 HA LEU A 71 11.596 -2.927 -32.567 1.00 71.13 H new ATOM 0 HB2 LEU A 71 14.219 -2.625 -32.803 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.781 -1.063 -33.464 1.00 11.33 H new ATOM 0 HG LEU A 71 14.329 -0.927 -31.085 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.320 0.276 -30.329 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.730 0.668 -32.016 1.00 70.15 H new ATOM 0 HD13 LEU A 71 11.390 -0.448 -31.663 1.00 70.15 H new ATOM 0 HD21 LEU A 71 12.845 -1.945 -29.400 1.00 52.41 H new ATOM 0 HD22 LEU A 71 11.938 -2.759 -30.697 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.643 -3.176 -30.406 1.00 52.41 H new ATOM 1049 N TYR A 72 11.694 -0.918 -35.184 1.00 23.13 N ATOM 1050 CA TYR A 72 10.960 0.128 -35.885 1.00 72.33 C ATOM 1051 C TYR A 72 9.640 -0.404 -36.433 1.00 64.33 C ATOM 1052 O TYR A 72 8.583 0.192 -36.227 1.00 54.01 O ATOM 1053 CB TYR A 72 11.807 0.697 -37.025 1.00 62.53 C ATOM 1054 CG TYR A 72 11.123 1.805 -37.793 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.896 1.693 -39.159 1.00 13.23 C ATOM 1056 CD2 TYR A 72 10.704 2.964 -37.153 1.00 33.42 C ATOM 1057 CE1 TYR A 72 10.272 2.703 -39.865 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.077 3.980 -37.851 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.865 3.844 -39.207 1.00 14.41 C ATOM 1060 OH TYR A 72 9.242 4.854 -39.905 1.00 23.11 O ATOM 0 H TYR A 72 12.513 -1.266 -35.683 1.00 23.13 H new ATOM 0 HA TYR A 72 10.741 0.923 -35.172 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.744 1.075 -36.616 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.061 -0.108 -37.714 1.00 62.53 H new ATOM 0 HD1 TYR A 72 11.213 0.801 -39.678 1.00 13.23 H new ATOM 0 HD2 TYR A 72 10.871 3.074 -36.092 1.00 33.42 H new ATOM 0 HE1 TYR A 72 10.104 2.599 -40.927 1.00 74.45 H new ATOM 0 HE2 TYR A 72 9.755 4.874 -37.338 1.00 12.54 H new ATOM 0 HH TYR A 72 9.810 5.653 -39.901 1.00 23.11 H new ATOM 1070 N ARG A 73 9.710 -1.533 -37.133 1.00 65.44 N ATOM 1071 CA ARG A 73 8.521 -2.147 -37.712 1.00 14.13 C ATOM 1072 C ARG A 73 7.442 -2.348 -36.653 1.00 11.43 C ATOM 1073 O ARG A 73 6.252 -2.177 -36.921 1.00 2.21 O ATOM 1074 CB ARG A 73 8.877 -3.489 -38.354 1.00 24.52 C ATOM 1075 CG ARG A 73 8.011 -3.838 -39.554 1.00 20.20 C ATOM 1076 CD ARG A 73 8.804 -4.590 -40.612 1.00 62.31 C ATOM 1077 NE ARG A 73 9.341 -5.849 -40.102 1.00 14.20 N ATOM 1078 CZ ARG A 73 8.596 -6.924 -39.869 1.00 65.04 C ATOM 1079 NH1 ARG A 73 7.291 -6.895 -40.100 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 9.158 -8.034 -39.404 1.00 13.35 N ATOM 0 H ARG A 73 10.577 -2.040 -37.312 1.00 65.44 H new ATOM 0 HA ARG A 73 8.132 -1.476 -38.478 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.922 -3.468 -38.664 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.782 -4.277 -37.606 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.166 -4.446 -39.230 1.00 20.20 H new ATOM 0 HG3 ARG A 73 7.600 -2.925 -39.986 1.00 20.20 H new ATOM 0 HD2 ARG A 73 8.163 -4.791 -41.471 1.00 62.31 H new ATOM 0 HD3 ARG A 73 9.623 -3.963 -40.965 1.00 62.31 H new ATOM 0 HE ARG A 73 10.342 -5.906 -39.915 1.00 14.20 H new ATOM 0 HH11 ARG A 73 6.855 -6.045 -40.458 1.00 12.32 H new ATOM 0 HH12 ARG A 73 6.723 -7.723 -39.920 1.00 12.32 H new ATOM 0 HH21 ARG A 73 10.162 -8.061 -39.226 1.00 13.35 H new ATOM 0 HH22 ARG A 73 8.586 -8.859 -39.225 1.00 13.35 H new ATOM 1094 N LYS A 74 7.865 -2.712 -35.446 1.00 33.12 N ATOM 1095 CA LYS A 74 6.936 -2.935 -34.345 1.00 31.02 C ATOM 1096 C LYS A 74 6.436 -1.611 -33.777 1.00 63.21 C ATOM 1097 O LYS A 74 5.239 -1.433 -33.548 1.00 75.00 O ATOM 1098 CB LYS A 74 7.608 -3.756 -33.242 1.00 65.31 C ATOM 1099 CG LYS A 74 7.654 -5.246 -33.532 1.00 40.52 C ATOM 1100 CD LYS A 74 7.801 -6.058 -32.257 1.00 34.44 C ATOM 1101 CE LYS A 74 7.611 -7.545 -32.518 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.180 -7.889 -32.743 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.846 -2.859 -35.206 1.00 33.12 H new ATOM 0 HA LYS A 74 6.080 -3.489 -34.731 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.625 -3.391 -33.098 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.076 -3.593 -32.305 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.744 -5.545 -34.052 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.488 -5.462 -34.200 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.788 -5.886 -31.827 1.00 34.44 H new ATOM 0 HD3 LYS A 74 7.070 -5.720 -31.523 1.00 34.44 H new ATOM 0 HE2 LYS A 74 8.197 -7.839 -33.389 1.00 41.15 H new ATOM 0 HE3 LYS A 74 7.993 -8.114 -31.671 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 6.071 -8.923 -32.765 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.603 -7.497 -31.972 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 5.865 -7.488 -33.649 1.00 30.01 H new ATOM 1116 N LEU A 75 7.360 -0.683 -33.552 1.00 52.50 N ATOM 1117 CA LEU A 75 7.014 0.626 -33.011 1.00 65.55 C ATOM 1118 C LEU A 75 6.106 1.388 -33.971 1.00 75.21 C ATOM 1119 O LEU A 75 5.373 2.290 -33.565 1.00 64.44 O ATOM 1120 CB LEU A 75 8.281 1.438 -32.736 1.00 21.23 C ATOM 1121 CG LEU A 75 8.735 1.502 -31.279 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.791 2.372 -30.462 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.820 0.103 -30.685 1.00 51.32 C ATOM 0 H LEU A 75 8.355 -0.813 -33.736 1.00 52.50 H new ATOM 0 HA LEU A 75 6.477 0.475 -32.074 1.00 65.55 H new ATOM 0 HB2 LEU A 75 9.093 1.019 -33.330 1.00 21.23 H new ATOM 0 HB3 LEU A 75 8.120 2.456 -33.090 1.00 21.23 H new ATOM 0 HG LEU A 75 9.728 1.950 -31.248 1.00 41.12 H new ATOM 0 HD11 LEU A 75 8.131 2.405 -29.427 1.00 62.14 H new ATOM 0 HD12 LEU A 75 7.779 3.382 -30.873 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.785 1.953 -30.500 1.00 62.14 H new ATOM 0 HD21 LEU A 75 9.145 0.168 -29.647 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.840 -0.371 -30.730 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.536 -0.491 -31.253 1.00 51.32 H new ATOM 1135 N GLY A 76 6.157 1.018 -35.247 1.00 21.42 N ATOM 1136 CA GLY A 76 5.333 1.676 -36.244 1.00 10.52 C ATOM 1137 C GLY A 76 6.073 1.907 -37.547 1.00 14.51 C ATOM 1138 O GLY A 76 7.230 2.325 -37.545 1.00 71.33 O ATOM 0 H GLY A 76 6.754 0.274 -35.608 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.447 1.071 -36.435 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.987 2.632 -35.852 1.00 10.52 H new ATOM 1142 N GLU A 77 5.404 1.629 -38.663 1.00 31.22 N ATOM 1143 CA GLU A 77 6.007 1.808 -39.977 1.00 3.31 C ATOM 1144 C GLU A 77 5.327 2.942 -40.739 1.00 55.51 C ATOM 1145 O GLU A 77 4.183 3.307 -40.468 1.00 65.31 O ATOM 1146 CB GLU A 77 5.917 0.510 -40.784 1.00 60.22 C ATOM 1147 CG GLU A 77 4.578 -0.196 -40.652 1.00 64.43 C ATOM 1148 CD GLU A 77 4.499 -1.457 -41.492 1.00 52.41 C ATOM 1149 OE1 GLU A 77 4.370 -2.551 -40.904 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.566 -1.350 -42.733 1.00 22.41 O1- ATOM 0 H GLU A 77 4.446 1.280 -38.682 1.00 31.22 H new ATOM 0 HA GLU A 77 7.056 2.068 -39.835 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.099 0.732 -41.835 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.708 -0.166 -40.459 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.406 -0.449 -39.606 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.781 0.485 -40.950 1.00 64.43 H new ATOM 1157 N PRO A 78 6.047 3.513 -41.716 1.00 13.34 N ATOM 1158 CA PRO A 78 5.534 4.613 -42.538 1.00 21.23 C ATOM 1159 C PRO A 78 4.426 4.163 -43.484 1.00 62.01 C ATOM 1160 O PRO A 78 3.934 3.039 -43.388 1.00 42.25 O ATOM 1161 CB PRO A 78 6.762 5.067 -43.331 1.00 40.44 C ATOM 1162 CG PRO A 78 7.642 3.866 -43.385 1.00 2.43 C ATOM 1163 CD PRO A 78 7.417 3.128 -42.094 1.00 41.44 C ATOM 0 HA PRO A 78 5.087 5.400 -41.931 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.486 5.401 -44.331 1.00 40.44 H new ATOM 0 HB3 PRO A 78 7.262 5.903 -42.842 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.394 3.239 -44.241 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.688 4.153 -43.493 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.510 2.050 -42.226 1.00 41.44 H new ATOM 0 HD3 PRO A 78 8.141 3.419 -41.333 1.00 41.44 H new ATOM 1171 N SER A 79 4.038 5.048 -44.397 1.00 1.54 N ATOM 1172 CA SER A 79 2.985 4.741 -45.359 1.00 22.12 C ATOM 1173 C SER A 79 3.504 4.859 -46.788 1.00 55.34 C ATOM 1174 O SER A 79 4.706 5.008 -47.014 1.00 42.34 O ATOM 1175 CB SER A 79 1.793 5.680 -45.158 1.00 75.41 C ATOM 1176 OG SER A 79 0.622 5.152 -45.754 1.00 71.31 O ATOM 0 H SER A 79 4.436 5.982 -44.491 1.00 1.54 H new ATOM 0 HA SER A 79 2.662 3.713 -45.192 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.624 5.835 -44.092 1.00 75.41 H new ATOM 0 HB3 SER A 79 2.017 6.655 -45.591 1.00 75.41 H new ATOM 0 HG SER A 79 -0.125 5.770 -45.610 1.00 71.31 H new ATOM 1182 N ASP A 80 2.591 4.791 -47.750 1.00 2.42 N ATOM 1183 CA ASP A 80 2.955 4.892 -49.159 1.00 64.33 C ATOM 1184 C ASP A 80 3.734 6.175 -49.429 1.00 41.21 C ATOM 1185 O ASP A 80 4.764 6.158 -50.103 1.00 61.31 O ATOM 1186 CB ASP A 80 1.703 4.846 -50.035 1.00 42.53 C ATOM 1187 CG ASP A 80 2.018 4.500 -51.477 1.00 72.41 C ATOM 1188 OD1 ASP A 80 2.187 5.434 -52.289 1.00 61.52 O ATOM 1189 OD2 ASP A 80 2.096 3.294 -51.795 1.00 62.51 O1- ATOM 0 H ASP A 80 1.593 4.666 -47.580 1.00 2.42 H new ATOM 0 HA ASP A 80 3.593 4.043 -49.406 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.008 4.110 -49.631 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.201 5.813 -49.998 1.00 42.53 H new ATOM 1194 N LYS A 81 3.235 7.286 -48.900 1.00 63.24 N ATOM 1195 CA LYS A 81 3.883 8.580 -49.083 1.00 42.30 C ATOM 1196 C LYS A 81 5.342 8.524 -48.643 1.00 52.43 C ATOM 1197 O LYS A 81 6.248 8.787 -49.433 1.00 13.12 O ATOM 1198 CB LYS A 81 3.142 9.661 -48.293 1.00 24.44 C ATOM 1199 CG LYS A 81 1.716 9.889 -48.764 1.00 13.30 C ATOM 1200 CD LYS A 81 0.843 10.443 -47.651 1.00 11.42 C ATOM 1201 CE LYS A 81 1.065 11.934 -47.457 1.00 51.52 C ATOM 1202 NZ LYS A 81 -0.034 12.562 -46.674 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.383 7.317 -48.340 1.00 63.24 H new ATOM 0 HA LYS A 81 3.851 8.828 -50.144 1.00 42.30 H new ATOM 0 HB2 LYS A 81 3.128 9.383 -47.239 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.695 10.597 -48.368 1.00 24.44 H new ATOM 0 HG2 LYS A 81 1.716 10.581 -49.606 1.00 13.30 H new ATOM 0 HG3 LYS A 81 1.296 8.950 -49.124 1.00 13.30 H new ATOM 0 HD2 LYS A 81 -0.206 10.258 -47.884 1.00 11.42 H new ATOM 0 HD3 LYS A 81 1.061 9.918 -46.721 1.00 11.42 H new ATOM 0 HE2 LYS A 81 2.014 12.096 -46.945 1.00 51.52 H new ATOM 0 HE3 LYS A 81 1.141 12.419 -48.430 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 0.155 13.579 -46.564 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 -0.936 12.430 -47.174 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 -0.090 12.117 -45.736 1.00 62.13 H new ATOM 1216 N GLU A 82 5.562 8.179 -47.378 1.00 13.40 N ATOM 1217 CA GLU A 82 6.912 8.088 -46.834 1.00 22.15 C ATOM 1218 C GLU A 82 7.724 7.025 -47.569 1.00 24.23 C ATOM 1219 O GLU A 82 8.949 7.112 -47.655 1.00 2.21 O ATOM 1220 CB GLU A 82 6.864 7.767 -45.340 1.00 53.12 C ATOM 1221 CG GLU A 82 6.949 8.996 -44.450 1.00 71.53 C ATOM 1222 CD GLU A 82 5.765 9.927 -44.626 1.00 12.30 C ATOM 1223 OE1 GLU A 82 4.864 9.908 -43.762 1.00 14.14 O ATOM 1224 OE2 GLU A 82 5.740 10.674 -45.626 1.00 32.01 O1- ATOM 0 H GLU A 82 4.823 7.958 -46.711 1.00 13.40 H new ATOM 0 HA GLU A 82 7.398 9.053 -46.974 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.939 7.234 -45.121 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.686 7.094 -45.095 1.00 53.12 H new ATOM 0 HG2 GLU A 82 7.008 8.682 -43.408 1.00 71.53 H new ATOM 0 HG3 GLU A 82 7.868 9.538 -44.672 1.00 71.53 H new ATOM 1231 N TYR A 83 7.032 6.020 -48.095 1.00 32.52 N ATOM 1232 CA TYR A 83 7.687 4.937 -48.819 1.00 21.41 C ATOM 1233 C TYR A 83 8.382 5.462 -50.072 1.00 74.33 C ATOM 1234 O TYR A 83 9.580 5.257 -50.263 1.00 30.25 O ATOM 1235 CB TYR A 83 6.670 3.860 -49.198 1.00 60.15 C ATOM 1236 CG TYR A 83 6.782 2.601 -48.370 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.730 2.653 -46.982 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.942 1.360 -48.974 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.833 1.504 -46.221 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.044 0.207 -48.220 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.990 0.284 -46.844 1.00 11.20 C ATOM 1242 OH TYR A 83 7.093 -0.862 -46.089 1.00 41.13 O ATOM 0 H TYR A 83 6.018 5.933 -48.033 1.00 32.52 H new ATOM 0 HA TYR A 83 8.441 4.500 -48.164 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.665 4.268 -49.089 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.799 3.605 -50.250 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.607 3.607 -46.490 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.987 1.296 -50.051 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.791 1.561 -45.143 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.165 -0.750 -48.706 1.00 71.42 H new ATOM 0 HH TYR A 83 7.198 -1.636 -46.681 1.00 41.13 H new ATOM 1252 N ASP A 84 7.620 6.139 -50.923 1.00 24.14 N ATOM 1253 CA ASP A 84 8.161 6.696 -52.158 1.00 41.30 C ATOM 1254 C ASP A 84 9.154 7.815 -51.860 1.00 24.23 C ATOM 1255 O ASP A 84 10.199 7.919 -52.504 1.00 11.41 O ATOM 1256 CB ASP A 84 7.030 7.222 -53.042 1.00 33.25 C ATOM 1257 CG ASP A 84 7.303 7.011 -54.518 1.00 12.43 C ATOM 1258 OD1 ASP A 84 6.378 7.220 -55.331 1.00 71.12 O ATOM 1259 OD2 ASP A 84 8.444 6.636 -54.862 1.00 45.14 O1- ATOM 0 H ASP A 84 6.626 6.316 -50.781 1.00 24.14 H new ATOM 0 HA ASP A 84 8.686 5.901 -52.688 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.100 6.722 -52.772 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.888 8.285 -52.850 1.00 33.25 H new ATOM 1264 N LEU A 85 8.821 8.650 -50.882 1.00 20.31 N ATOM 1265 CA LEU A 85 9.683 9.763 -50.499 1.00 5.33 C ATOM 1266 C LEU A 85 11.079 9.270 -50.134 1.00 63.15 C ATOM 1267 O LEU A 85 12.080 9.779 -50.638 1.00 64.22 O ATOM 1268 CB LEU A 85 9.073 10.524 -49.320 1.00 32.10 C ATOM 1269 CG LEU A 85 9.811 11.791 -48.887 1.00 40.23 C ATOM 1270 CD1 LEU A 85 9.758 12.842 -49.984 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.219 12.336 -47.595 1.00 5.43 C ATOM 0 H LEU A 85 7.960 8.578 -50.340 1.00 20.31 H new ATOM 0 HA LEU A 85 9.768 10.436 -51.353 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.049 10.794 -49.578 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.019 9.849 -48.466 1.00 32.10 H new ATOM 0 HG LEU A 85 10.856 11.537 -48.707 1.00 40.23 H new ATOM 0 HD11 LEU A 85 10.289 13.736 -49.657 1.00 13.40 H new ATOM 0 HD12 LEU A 85 10.228 12.450 -50.886 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.719 13.094 -50.197 1.00 13.40 H new ATOM 0 HD21 LEU A 85 9.756 13.238 -47.301 1.00 5.43 H new ATOM 0 HD22 LEU A 85 8.167 12.574 -47.749 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.310 11.587 -46.809 1.00 5.43 H new ATOM 1283 N ILE A 86 11.138 8.274 -49.255 1.00 45.10 N ATOM 1284 CA ILE A 86 12.411 7.710 -48.825 1.00 32.42 C ATOM 1285 C ILE A 86 13.024 6.842 -49.917 1.00 52.13 C ATOM 1286 O ILE A 86 14.244 6.799 -50.080 1.00 14.31 O ATOM 1287 CB ILE A 86 12.250 6.869 -47.545 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.696 7.729 -46.409 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.582 6.250 -47.147 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.900 6.945 -45.390 1.00 63.41 C ATOM 0 H ILE A 86 10.319 7.842 -48.827 1.00 45.10 H new ATOM 0 HA ILE A 86 13.074 8.550 -48.617 1.00 32.42 H new ATOM 0 HB ILE A 86 11.542 6.064 -47.744 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.524 8.228 -45.905 1.00 10.12 H new ATOM 0 HG13 ILE A 86 11.062 8.509 -46.831 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.452 5.659 -46.241 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.939 5.607 -47.952 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.310 7.040 -46.963 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.538 7.619 -44.614 1.00 63.41 H new ATOM 0 HD12 ILE A 86 10.052 6.467 -45.880 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.536 6.182 -44.940 1.00 63.41 H new ATOM 1302 N ASP A 87 12.170 6.151 -50.666 1.00 50.21 N ATOM 1303 CA ASP A 87 12.628 5.285 -51.746 1.00 61.54 C ATOM 1304 C ASP A 87 13.348 6.091 -52.822 1.00 73.01 C ATOM 1305 O ASP A 87 14.078 5.536 -53.642 1.00 74.03 O ATOM 1306 CB ASP A 87 11.447 4.532 -52.360 1.00 35.13 C ATOM 1307 CG ASP A 87 11.860 3.654 -53.524 1.00 41.55 C ATOM 1308 OD1 ASP A 87 12.284 2.504 -53.280 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.761 4.115 -54.679 1.00 51.34 O1- ATOM 0 H ASP A 87 11.158 6.174 -50.545 1.00 50.21 H new ATOM 0 HA ASP A 87 13.330 4.564 -51.327 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.975 3.916 -51.594 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.699 5.249 -52.698 1.00 35.13 H new ATOM 1314 N GLN A 88 13.134 7.403 -52.814 1.00 32.35 N ATOM 1315 CA GLN A 88 13.760 8.285 -53.790 1.00 71.22 C ATOM 1316 C GLN A 88 15.229 8.518 -53.450 1.00 44.01 C ATOM 1317 O GLN A 88 16.035 8.836 -54.323 1.00 30.30 O ATOM 1318 CB GLN A 88 13.020 9.623 -53.850 1.00 71.55 C ATOM 1319 CG GLN A 88 11.806 9.606 -54.763 1.00 72.24 C ATOM 1320 CD GLN A 88 11.525 10.959 -55.387 1.00 74.11 C ATOM 1321 OE1 GLN A 88 12.143 11.336 -56.383 1.00 14.12 O ATOM 1322 NE2 GLN A 88 10.589 11.698 -54.801 1.00 31.43 N ATOM 0 H GLN A 88 12.531 7.878 -52.142 1.00 32.35 H new ATOM 0 HA GLN A 88 13.703 7.803 -54.766 1.00 71.22 H new ATOM 0 HB2 GLN A 88 12.704 9.899 -52.844 1.00 71.55 H new ATOM 0 HB3 GLN A 88 13.710 10.395 -54.191 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.961 8.871 -55.553 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.933 9.284 -54.195 1.00 72.24 H new ATOM 0 HE21 GLN A 88 10.102 11.345 -53.977 1.00 31.43 H new ATOM 0 HE22 GLN A 88 10.357 12.618 -55.175 1.00 31.43 H new ATOM 1331 N ALA A 89 15.568 8.358 -52.175 1.00 43.05 N ATOM 1332 CA ALA A 89 16.940 8.550 -51.720 1.00 33.15 C ATOM 1333 C ALA A 89 17.805 7.341 -52.061 1.00 24.14 C ATOM 1334 O ALA A 89 17.292 6.268 -52.381 1.00 71.13 O ATOM 1335 CB ALA A 89 16.967 8.814 -50.221 1.00 12.20 C ATOM 0 H ALA A 89 14.912 8.096 -51.439 1.00 43.05 H new ATOM 0 HA ALA A 89 17.351 9.417 -52.238 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.997 8.955 -49.895 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.390 9.712 -49.999 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.533 7.964 -49.694 1.00 12.20 H new ATOM 1341 N PHE A 90 19.119 7.521 -51.992 1.00 74.20 N ATOM 1342 CA PHE A 90 20.056 6.446 -52.296 1.00 75.52 C ATOM 1343 C PHE A 90 20.215 5.509 -51.101 1.00 71.45 C ATOM 1344 O PHE A 90 20.732 5.902 -50.055 1.00 12.24 O ATOM 1345 CB PHE A 90 21.418 7.023 -52.690 1.00 64.23 C ATOM 1346 CG PHE A 90 21.444 7.603 -54.075 1.00 13.13 C ATOM 1347 CD1 PHE A 90 20.962 6.879 -55.153 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.950 8.874 -54.298 1.00 65.35 C ATOM 1349 CE1 PHE A 90 20.984 7.410 -56.429 1.00 45.43 C ATOM 1350 CE2 PHE A 90 21.975 9.410 -55.571 1.00 31.34 C ATOM 1351 CZ PHE A 90 21.492 8.678 -56.639 1.00 1.02 C ATOM 0 H PHE A 90 19.560 8.402 -51.728 1.00 74.20 H new ATOM 0 HA PHE A 90 19.655 5.875 -53.133 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.696 7.797 -51.975 1.00 64.23 H new ATOM 0 HB3 PHE A 90 22.171 6.238 -52.619 1.00 64.23 H new ATOM 0 HD1 PHE A 90 20.564 5.888 -54.995 1.00 30.42 H new ATOM 0 HD2 PHE A 90 22.329 9.451 -53.468 1.00 65.35 H new ATOM 0 HE1 PHE A 90 20.605 6.835 -57.261 1.00 45.43 H new ATOM 0 HE2 PHE A 90 22.372 10.401 -55.732 1.00 31.34 H new ATOM 0 HZ PHE A 90 21.511 9.096 -57.635 1.00 1.02 H new ATOM 1361 N GLY A 91 19.765 4.269 -51.265 1.00 12.51 N ATOM 1362 CA GLY A 91 19.865 3.296 -50.192 1.00 14.41 C ATOM 1363 C GLY A 91 19.287 3.809 -48.888 1.00 73.13 C ATOM 1364 O GLY A 91 19.854 3.584 -47.819 1.00 4.35 O ATOM 0 H GLY A 91 19.333 3.921 -52.121 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.344 2.384 -50.483 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.912 3.031 -50.042 1.00 14.41 H new ATOM 1368 N ALA A 92 18.156 4.501 -48.976 1.00 4.24 N ATOM 1369 CA ALA A 92 17.501 5.046 -47.794 1.00 70.22 C ATOM 1370 C ALA A 92 16.396 4.119 -47.302 1.00 24.25 C ATOM 1371 O ALA A 92 15.492 3.759 -48.056 1.00 13.15 O ATOM 1372 CB ALA A 92 16.940 6.429 -48.093 1.00 0.13 C ATOM 0 H ALA A 92 17.675 4.697 -49.854 1.00 4.24 H new ATOM 0 HA ALA A 92 18.246 5.131 -47.002 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.453 6.825 -47.202 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.751 7.094 -48.389 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.213 6.360 -48.903 1.00 0.13 H new ATOM 1378 N THR A 93 16.473 3.735 -46.031 1.00 45.11 N ATOM 1379 CA THR A 93 15.480 2.849 -45.438 1.00 43.04 C ATOM 1380 C THR A 93 14.473 3.630 -44.604 1.00 51.13 C ATOM 1381 O THR A 93 14.822 4.611 -43.948 1.00 12.44 O ATOM 1382 CB THR A 93 16.142 1.777 -44.552 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.508 1.595 -44.940 1.00 31.50 O ATOM 1384 CG2 THR A 93 15.399 0.453 -44.657 1.00 75.11 C ATOM 0 H THR A 93 17.214 4.025 -45.393 1.00 45.11 H new ATOM 0 HA THR A 93 14.962 2.360 -46.262 1.00 43.04 H new ATOM 0 HB THR A 93 16.101 2.117 -43.517 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.922 0.913 -44.371 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.885 -0.288 -44.023 1.00 75.11 H new ATOM 0 HG22 THR A 93 14.367 0.588 -44.332 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.412 0.110 -45.691 1.00 75.11 H new ATOM 1392 N GLY A 94 13.218 3.191 -44.634 1.00 64.34 N ATOM 1393 CA GLY A 94 12.178 3.861 -43.875 1.00 73.52 C ATOM 1394 C GLY A 94 12.515 3.970 -42.401 1.00 11.42 C ATOM 1395 O GLY A 94 12.006 4.847 -41.703 1.00 75.13 O ATOM 0 H GLY A 94 12.903 2.383 -45.171 1.00 64.34 H new ATOM 0 HA2 GLY A 94 12.020 4.859 -44.283 1.00 73.52 H new ATOM 0 HA3 GLY A 94 11.240 3.317 -43.991 1.00 73.52 H new ATOM 1399 N THR A 95 13.375 3.075 -41.924 1.00 3.02 N ATOM 1400 CA THR A 95 13.777 3.072 -40.523 1.00 45.00 C ATOM 1401 C THR A 95 14.724 4.228 -40.220 1.00 1.41 C ATOM 1402 O THR A 95 15.128 4.428 -39.075 1.00 53.40 O ATOM 1403 CB THR A 95 14.462 1.747 -40.138 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.775 1.692 -40.705 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.644 0.557 -40.617 1.00 23.25 C ATOM 0 H THR A 95 13.806 2.343 -42.488 1.00 3.02 H new ATOM 0 HA THR A 95 12.868 3.187 -39.933 1.00 45.00 H new ATOM 0 HB THR A 95 14.535 1.702 -39.051 1.00 64.24 H new ATOM 0 HG1 THR A 95 16.204 0.848 -40.454 1.00 24.23 H new ATOM 0 HG21 THR A 95 14.147 -0.368 -40.334 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.655 0.587 -40.159 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.543 0.598 -41.702 1.00 23.25 H new ATOM 1413 N SER A 96 15.076 4.986 -41.255 1.00 4.44 N ATOM 1414 CA SER A 96 15.979 6.120 -41.100 1.00 60.11 C ATOM 1415 C SER A 96 15.207 7.380 -40.719 1.00 71.41 C ATOM 1416 O SER A 96 15.790 8.363 -40.261 1.00 10.54 O ATOM 1417 CB SER A 96 16.759 6.357 -42.394 1.00 33.34 C ATOM 1418 OG SER A 96 17.872 7.206 -42.170 1.00 54.01 O ATOM 0 H SER A 96 14.749 4.835 -42.209 1.00 4.44 H new ATOM 0 HA SER A 96 16.681 5.889 -40.299 1.00 60.11 H new ATOM 0 HB2 SER A 96 17.100 5.403 -42.797 1.00 33.34 H new ATOM 0 HB3 SER A 96 16.103 6.802 -43.142 1.00 33.34 H new ATOM 0 HG SER A 96 17.645 7.870 -41.486 1.00 54.01 H new ATOM 1424 N ARG A 97 13.893 7.343 -40.913 1.00 14.14 N ATOM 1425 CA ARG A 97 13.042 8.482 -40.591 1.00 44.44 C ATOM 1426 C ARG A 97 11.987 8.097 -39.558 1.00 41.24 C ATOM 1427 O ARG A 97 11.655 6.921 -39.402 1.00 64.24 O ATOM 1428 CB ARG A 97 12.363 9.012 -41.856 1.00 70.20 C ATOM 1429 CG ARG A 97 13.209 10.010 -42.628 1.00 33.41 C ATOM 1430 CD ARG A 97 14.466 9.362 -43.185 1.00 21.13 C ATOM 1431 NE ARG A 97 14.836 9.912 -44.487 1.00 44.32 N ATOM 1432 CZ ARG A 97 16.054 9.816 -45.007 1.00 45.23 C ATOM 1433 NH1 ARG A 97 17.016 9.195 -44.339 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 16.312 10.342 -46.198 1.00 33.05 N ATOM 0 H ARG A 97 13.395 6.537 -41.291 1.00 14.14 H new ATOM 0 HA ARG A 97 13.671 9.266 -40.169 1.00 44.44 H new ATOM 0 HB2 ARG A 97 12.122 8.172 -42.508 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.420 9.484 -41.581 1.00 70.20 H new ATOM 0 HG2 ARG A 97 12.623 10.430 -43.445 1.00 33.41 H new ATOM 0 HG3 ARG A 97 13.484 10.838 -41.974 1.00 33.41 H new ATOM 0 HD2 ARG A 97 15.288 9.505 -42.484 1.00 21.13 H new ATOM 0 HD3 ARG A 97 14.309 8.287 -43.277 1.00 21.13 H new ATOM 0 HE ARG A 97 14.119 10.397 -45.027 1.00 44.32 H new ATOM 0 HH11 ARG A 97 16.821 8.790 -43.423 1.00 54.10 H new ATOM 0 HH12 ARG A 97 17.951 9.123 -44.741 1.00 54.10 H new ATOM 0 HH21 ARG A 97 15.574 10.821 -46.715 1.00 33.05 H new ATOM 0 HH22 ARG A 97 17.248 10.268 -46.596 1.00 33.05 H new ATOM 1448 N LEU A 98 11.463 9.095 -38.855 1.00 2.12 N ATOM 1449 CA LEU A 98 10.445 8.862 -37.836 1.00 73.45 C ATOM 1450 C LEU A 98 9.778 10.170 -37.423 1.00 21.34 C ATOM 1451 O LEU A 98 10.109 11.237 -37.939 1.00 13.34 O ATOM 1452 CB LEU A 98 11.066 8.184 -36.613 1.00 23.22 C ATOM 1453 CG LEU A 98 12.271 8.894 -35.992 1.00 64.21 C ATOM 1454 CD1 LEU A 98 11.814 9.967 -35.017 1.00 54.22 C ATOM 1455 CD2 LEU A 98 13.180 7.891 -35.298 1.00 44.21 C ATOM 0 H LEU A 98 11.726 10.074 -38.972 1.00 2.12 H new ATOM 0 HA LEU A 98 9.684 8.207 -38.260 1.00 73.45 H new ATOM 0 HB2 LEU A 98 10.296 8.082 -35.849 1.00 23.22 H new ATOM 0 HB3 LEU A 98 11.369 7.176 -36.896 1.00 23.22 H new ATOM 0 HG LEU A 98 12.837 9.375 -36.790 1.00 64.21 H new ATOM 0 HD11 LEU A 98 12.684 10.461 -34.585 1.00 54.22 H new ATOM 0 HD12 LEU A 98 11.204 10.701 -35.543 1.00 54.22 H new ATOM 0 HD13 LEU A 98 11.225 9.509 -34.222 1.00 54.22 H new ATOM 0 HD21 LEU A 98 14.032 8.413 -34.862 1.00 44.21 H new ATOM 0 HD22 LEU A 98 12.625 7.381 -34.511 1.00 44.21 H new ATOM 0 HD23 LEU A 98 13.535 7.159 -36.024 1.00 44.21 H new ATOM 1467 N GLY A 99 8.838 10.079 -36.488 1.00 65.55 N ATOM 1468 CA GLY A 99 8.140 11.263 -36.020 1.00 71.01 C ATOM 1469 C GLY A 99 8.978 12.091 -35.066 1.00 52.33 C ATOM 1470 O GLY A 99 10.134 12.401 -35.353 1.00 62.04 O ATOM 0 H GLY A 99 8.547 9.207 -36.046 1.00 65.55 H new ATOM 0 HA2 GLY A 99 7.857 11.876 -36.876 1.00 71.01 H new ATOM 0 HA3 GLY A 99 7.217 10.964 -35.523 1.00 71.01 H new ATOM 1474 N CYS A 100 8.394 12.450 -33.927 1.00 23.20 N ATOM 1475 CA CYS A 100 9.093 13.248 -32.928 1.00 42.23 C ATOM 1476 C CYS A 100 8.628 12.885 -31.520 1.00 61.43 C ATOM 1477 O CYS A 100 7.745 13.535 -30.961 1.00 22.54 O ATOM 1478 CB CYS A 100 8.864 14.738 -33.184 1.00 12.14 C ATOM 1479 SG CYS A 100 10.302 15.600 -33.896 1.00 33.11 S ATOM 0 H CYS A 100 7.438 12.200 -33.674 1.00 23.20 H new ATOM 0 HA CYS A 100 10.159 13.032 -33.007 1.00 42.23 H new ATOM 0 HB2 CYS A 100 8.015 14.854 -33.857 1.00 12.14 H new ATOM 0 HB3 CYS A 100 8.594 15.220 -32.244 1.00 12.14 H new ATOM 1484 N GLN A 101 9.230 11.843 -30.955 1.00 51.23 N ATOM 1485 CA GLN A 101 8.878 11.394 -29.613 1.00 32.50 C ATOM 1486 C GLN A 101 10.098 11.400 -28.698 1.00 24.44 C ATOM 1487 O GLN A 101 11.166 10.909 -29.067 1.00 62.34 O ATOM 1488 CB GLN A 101 8.271 9.992 -29.664 1.00 54.33 C ATOM 1489 CG GLN A 101 6.870 9.956 -30.253 1.00 51.15 C ATOM 1490 CD GLN A 101 6.078 8.743 -29.803 1.00 64.22 C ATOM 1491 OE1 GLN A 101 6.300 8.212 -28.716 1.00 14.41 O ATOM 1492 NE2 GLN A 101 5.148 8.300 -30.640 1.00 64.44 N ATOM 0 H GLN A 101 9.963 11.295 -31.405 1.00 51.23 H new ATOM 0 HA GLN A 101 8.140 12.087 -29.208 1.00 32.50 H new ATOM 0 HB2 GLN A 101 8.921 9.345 -30.254 1.00 54.33 H new ATOM 0 HB3 GLN A 101 8.243 9.581 -28.655 1.00 54.33 H new ATOM 0 HG2 GLN A 101 6.336 10.861 -29.965 1.00 51.15 H new ATOM 0 HG3 GLN A 101 6.937 9.958 -31.341 1.00 51.15 H new ATOM 0 HE21 GLN A 101 4.998 8.772 -31.532 1.00 64.44 H new ATOM 0 HE22 GLN A 101 4.583 7.488 -30.391 1.00 64.44 H new ATOM 1501 N LEU A 102 9.935 11.959 -27.505 1.00 65.25 N ATOM 1502 CA LEU A 102 11.024 12.030 -26.537 1.00 63.32 C ATOM 1503 C LEU A 102 10.597 11.445 -25.194 1.00 43.03 C ATOM 1504 O LEU A 102 10.485 12.162 -24.201 1.00 43.45 O ATOM 1505 CB LEU A 102 11.477 13.479 -26.354 1.00 54.24 C ATOM 1506 CG LEU A 102 12.491 14.000 -27.373 1.00 12.13 C ATOM 1507 CD1 LEU A 102 13.784 13.204 -27.292 1.00 65.13 C ATOM 1508 CD2 LEU A 102 11.913 13.940 -28.778 1.00 5.14 C ATOM 0 H LEU A 102 9.059 12.370 -27.184 1.00 65.25 H new ATOM 0 HA LEU A 102 11.857 11.442 -26.921 1.00 63.32 H new ATOM 0 HB2 LEU A 102 10.596 14.121 -26.387 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.908 13.581 -25.358 1.00 54.24 H new ATOM 0 HG LEU A 102 12.713 15.041 -27.138 1.00 12.13 H new ATOM 0 HD11 LEU A 102 14.494 13.588 -28.024 1.00 65.13 H new ATOM 0 HD12 LEU A 102 14.207 13.298 -26.292 1.00 65.13 H new ATOM 0 HD13 LEU A 102 13.579 12.154 -27.502 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.648 14.315 -29.490 1.00 5.14 H new ATOM 0 HD22 LEU A 102 11.662 12.908 -29.024 1.00 5.14 H new ATOM 0 HD23 LEU A 102 11.014 14.554 -28.828 1.00 5.14 H new ATOM 1520 N ARG A 103 10.365 10.135 -25.172 1.00 52.25 N ATOM 1521 CA ARG A 103 9.953 9.454 -23.951 1.00 12.23 C ATOM 1522 C ARG A 103 10.397 7.994 -23.968 1.00 22.20 C ATOM 1523 O ARG A 103 10.682 7.433 -25.027 1.00 3.34 O ATOM 1524 CB ARG A 103 8.434 9.534 -23.784 1.00 33.05 C ATOM 1525 CG ARG A 103 7.981 10.672 -22.884 1.00 62.04 C ATOM 1526 CD ARG A 103 8.341 10.408 -21.430 1.00 70.21 C ATOM 1527 NE ARG A 103 7.303 9.651 -20.737 1.00 53.42 N ATOM 1528 CZ ARG A 103 6.107 10.147 -20.437 1.00 21.50 C ATOM 1529 NH1 ARG A 103 5.802 11.394 -20.768 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 5.216 9.396 -19.805 1.00 43.51 N ATOM 0 H ARG A 103 10.456 9.526 -25.985 1.00 52.25 H new ATOM 0 HA ARG A 103 10.431 9.952 -23.108 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.975 9.653 -24.765 1.00 33.05 H new ATOM 0 HB3 ARG A 103 8.072 8.591 -23.374 1.00 33.05 H new ATOM 0 HG2 ARG A 103 8.444 11.603 -23.212 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.903 10.803 -22.975 1.00 62.04 H new ATOM 0 HD2 ARG A 103 9.282 9.859 -21.384 1.00 70.21 H new ATOM 0 HD3 ARG A 103 8.500 11.357 -20.918 1.00 70.21 H new ATOM 0 HE ARG A 103 7.507 8.688 -20.468 1.00 53.42 H new ATOM 0 HH11 ARG A 103 6.486 11.974 -21.254 1.00 52.01 H new ATOM 0 HH12 ARG A 103 4.884 11.773 -20.537 1.00 52.01 H new ATOM 0 HH21 ARG A 103 5.448 8.436 -19.548 1.00 43.51 H new ATOM 0 HH22 ARG A 103 4.298 9.778 -19.575 1.00 43.51 H new ATOM 1544 N VAL A 104 10.452 7.383 -22.789 1.00 21.01 N ATOM 1545 CA VAL A 104 10.860 5.989 -22.667 1.00 23.15 C ATOM 1546 C VAL A 104 9.662 5.088 -22.388 1.00 51.50 C ATOM 1547 O VAL A 104 8.866 5.357 -21.490 1.00 20.41 O ATOM 1548 CB VAL A 104 11.899 5.803 -21.546 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.283 4.338 -21.410 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.126 6.662 -21.811 1.00 72.24 C ATOM 0 H VAL A 104 10.219 7.832 -21.904 1.00 21.01 H new ATOM 0 HA VAL A 104 11.310 5.707 -23.619 1.00 23.15 H new ATOM 0 HB VAL A 104 11.454 6.125 -20.605 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.018 4.227 -20.613 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.397 3.750 -21.171 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.710 3.985 -22.349 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.850 6.519 -21.009 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.574 6.373 -22.761 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.834 7.711 -21.852 1.00 72.24 H new ATOM 1560 N ASP A 105 9.540 4.017 -23.166 1.00 71.13 N ATOM 1561 CA ASP A 105 8.440 3.075 -23.002 1.00 40.04 C ATOM 1562 C ASP A 105 8.939 1.636 -23.088 1.00 72.04 C ATOM 1563 O ASP A 105 10.077 1.385 -23.487 1.00 10.30 O ATOM 1564 CB ASP A 105 7.368 3.320 -24.065 1.00 44.20 C ATOM 1565 CG ASP A 105 6.661 4.648 -23.880 1.00 65.14 C ATOM 1566 OD1 ASP A 105 7.343 5.694 -23.916 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.426 4.642 -23.700 1.00 33.31 O1- ATOM 0 H ASP A 105 10.190 3.780 -23.916 1.00 71.13 H new ATOM 0 HA ASP A 105 8.005 3.231 -22.015 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.827 3.291 -25.053 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.635 2.514 -24.030 1.00 44.20 H new ATOM 1572 N LYS A 106 8.083 0.694 -22.710 1.00 24.41 N ATOM 1573 CA LYS A 106 8.435 -0.720 -22.743 1.00 72.51 C ATOM 1574 C LYS A 106 8.859 -1.142 -24.147 1.00 64.01 C ATOM 1575 O LYS A 106 9.691 -2.034 -24.312 1.00 34.22 O ATOM 1576 CB LYS A 106 7.253 -1.573 -22.279 1.00 13.33 C ATOM 1577 CG LYS A 106 7.628 -3.009 -21.954 1.00 33.41 C ATOM 1578 CD LYS A 106 6.493 -3.738 -21.254 1.00 30.24 C ATOM 1579 CE LYS A 106 6.354 -3.292 -19.807 1.00 13.42 C ATOM 1580 NZ LYS A 106 5.061 -3.734 -19.213 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.138 0.885 -22.376 1.00 24.41 H new ATOM 0 HA LYS A 106 9.275 -0.875 -22.066 1.00 72.51 H new ATOM 0 HB2 LYS A 106 6.809 -1.114 -21.396 1.00 13.33 H new ATOM 0 HB3 LYS A 106 6.489 -1.573 -23.056 1.00 13.33 H new ATOM 0 HG2 LYS A 106 7.887 -3.535 -22.873 1.00 33.41 H new ATOM 0 HG3 LYS A 106 8.514 -3.020 -21.320 1.00 33.41 H new ATOM 0 HD2 LYS A 106 5.559 -3.553 -21.784 1.00 30.24 H new ATOM 0 HD3 LYS A 106 6.673 -4.813 -21.289 1.00 30.24 H new ATOM 0 HE2 LYS A 106 7.180 -3.696 -19.221 1.00 13.42 H new ATOM 0 HE3 LYS A 106 6.426 -2.206 -19.753 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 5.004 -3.411 -18.226 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 4.273 -3.328 -19.756 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 5.003 -4.772 -19.241 1.00 24.12 H new ATOM 1594 N SER A 107 8.283 -0.494 -25.154 1.00 1.32 N ATOM 1595 CA SER A 107 8.599 -0.804 -26.543 1.00 32.25 C ATOM 1596 C SER A 107 10.062 -0.496 -26.849 1.00 64.51 C ATOM 1597 O SER A 107 10.671 -1.117 -27.720 1.00 35.32 O ATOM 1598 CB SER A 107 7.692 -0.009 -27.485 1.00 25.21 C ATOM 1599 OG SER A 107 7.119 -0.851 -28.470 1.00 60.12 O ATOM 0 H SER A 107 7.595 0.249 -25.034 1.00 1.32 H new ATOM 0 HA SER A 107 8.429 -1.869 -26.699 1.00 32.25 H new ATOM 0 HB2 SER A 107 6.902 0.476 -26.912 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.267 0.782 -27.967 1.00 25.21 H new ATOM 0 HG SER A 107 6.424 -0.360 -28.956 1.00 60.12 H new ATOM 1605 N PHE A 108 10.621 0.468 -26.124 1.00 54.12 N ATOM 1606 CA PHE A 108 12.012 0.860 -26.317 1.00 31.34 C ATOM 1607 C PHE A 108 12.958 -0.165 -25.699 1.00 52.43 C ATOM 1608 O PHE A 108 14.175 -0.073 -25.852 1.00 20.31 O ATOM 1609 CB PHE A 108 12.265 2.239 -25.703 1.00 33.33 C ATOM 1610 CG PHE A 108 11.981 3.375 -26.643 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.792 4.498 -26.659 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.902 3.321 -27.511 1.00 23.10 C ATOM 1613 CE1 PHE A 108 12.534 5.546 -27.522 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.639 4.365 -28.377 1.00 0.32 C ATOM 1615 CZ PHE A 108 11.455 5.479 -28.382 1.00 71.21 C ATOM 0 H PHE A 108 10.132 0.992 -25.398 1.00 54.12 H new ATOM 0 HA PHE A 108 12.205 0.905 -27.389 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.646 2.351 -24.813 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.304 2.298 -25.378 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.637 4.555 -25.988 1.00 41.10 H new ATOM 0 HD2 PHE A 108 10.259 2.453 -27.511 1.00 23.10 H new ATOM 0 HE1 PHE A 108 13.175 6.416 -27.524 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.796 4.310 -29.050 1.00 0.32 H new ATOM 0 HZ PHE A 108 11.250 6.297 -29.057 1.00 71.21 H new ATOM 1625 N GLU A 109 12.387 -1.142 -24.999 1.00 45.42 N ATOM 1626 CA GLU A 109 13.179 -2.184 -24.357 1.00 14.13 C ATOM 1627 C GLU A 109 14.019 -2.939 -25.383 1.00 53.04 C ATOM 1628 O GLU A 109 13.493 -3.478 -26.355 1.00 0.14 O ATOM 1629 CB GLU A 109 12.267 -3.160 -23.611 1.00 15.44 C ATOM 1630 CG GLU A 109 13.022 -4.181 -22.776 1.00 21.13 C ATOM 1631 CD GLU A 109 12.106 -5.010 -21.898 1.00 40.23 C ATOM 1632 OE1 GLU A 109 10.903 -4.684 -21.822 1.00 23.25 O ATOM 1633 OE2 GLU A 109 12.591 -5.985 -21.287 1.00 62.22 O1- ATOM 0 H GLU A 109 11.380 -1.233 -24.863 1.00 45.42 H new ATOM 0 HA GLU A 109 13.851 -1.707 -23.644 1.00 14.13 H new ATOM 0 HB2 GLU A 109 11.598 -2.595 -22.962 1.00 15.44 H new ATOM 0 HB3 GLU A 109 11.642 -3.685 -24.334 1.00 15.44 H new ATOM 0 HG2 GLU A 109 13.582 -4.843 -23.437 1.00 21.13 H new ATOM 0 HG3 GLU A 109 13.750 -3.665 -22.150 1.00 21.13 H new ATOM 1640 N ASN A 110 15.328 -2.972 -25.157 1.00 40.22 N ATOM 1641 CA ASN A 110 16.242 -3.659 -26.061 1.00 12.52 C ATOM 1642 C ASN A 110 16.191 -3.045 -27.458 1.00 14.11 C ATOM 1643 O ASN A 110 16.535 -3.694 -28.445 1.00 14.41 O ATOM 1644 CB ASN A 110 15.899 -5.148 -26.134 1.00 53.45 C ATOM 1645 CG ASN A 110 16.683 -5.972 -25.131 1.00 14.25 C ATOM 1646 OD1 ASN A 110 17.446 -5.432 -24.329 1.00 53.03 O ATOM 1647 ND2 ASN A 110 16.499 -7.287 -25.172 1.00 13.04 N ATOM 0 H ASN A 110 15.779 -2.531 -24.356 1.00 40.22 H new ATOM 0 HA ASN A 110 17.253 -3.545 -25.670 1.00 12.52 H new ATOM 0 HB2 ASN A 110 14.832 -5.281 -25.955 1.00 53.45 H new ATOM 0 HB3 ASN A 110 16.102 -5.516 -27.140 1.00 53.45 H new ATOM 0 HD21 ASN A 110 17.000 -7.893 -24.522 1.00 13.04 H new ATOM 0 HD22 ASN A 110 15.857 -7.691 -25.854 1.00 13.04 H new ATOM 1654 N ALA A 111 15.757 -1.791 -27.531 1.00 11.53 N ATOM 1655 CA ALA A 111 15.662 -1.089 -28.805 1.00 33.33 C ATOM 1656 C ALA A 111 17.027 -0.580 -29.254 1.00 12.12 C ATOM 1657 O ALA A 111 17.808 -0.073 -28.449 1.00 32.25 O ATOM 1658 CB ALA A 111 14.676 0.063 -28.700 1.00 12.32 C ATOM 0 H ALA A 111 15.466 -1.241 -26.723 1.00 11.53 H new ATOM 0 HA ALA A 111 15.302 -1.794 -29.554 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.615 0.578 -29.659 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.692 -0.323 -28.432 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.012 0.761 -27.934 1.00 12.32 H new ATOM 1664 N VAL A 112 17.311 -0.720 -30.545 1.00 73.01 N ATOM 1665 CA VAL A 112 18.582 -0.273 -31.102 1.00 70.21 C ATOM 1666 C VAL A 112 18.401 0.983 -31.946 1.00 23.10 C ATOM 1667 O VAL A 112 17.791 0.943 -33.015 1.00 15.11 O ATOM 1668 CB VAL A 112 19.233 -1.370 -31.966 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.683 -1.022 -32.269 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.134 -2.722 -31.274 1.00 42.04 C ATOM 0 H VAL A 112 16.677 -1.140 -31.225 1.00 73.01 H new ATOM 0 HA VAL A 112 19.236 -0.049 -30.259 1.00 70.21 H new ATOM 0 HB VAL A 112 18.694 -1.431 -32.911 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.126 -1.808 -32.880 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.725 -0.076 -32.809 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.238 -0.932 -31.335 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.599 -3.485 -31.898 1.00 42.04 H new ATOM 0 HG22 VAL A 112 19.647 -2.677 -30.313 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.085 -2.973 -31.114 1.00 42.04 H new ATOM 1680 N PHE A 113 18.937 2.098 -31.461 1.00 22.12 N ATOM 1681 CA PHE A 113 18.835 3.367 -32.171 1.00 61.43 C ATOM 1682 C PHE A 113 20.169 3.741 -32.812 1.00 43.11 C ATOM 1683 O PHE A 113 21.100 4.169 -32.131 1.00 11.30 O ATOM 1684 CB PHE A 113 18.388 4.475 -31.216 1.00 14.33 C ATOM 1685 CG PHE A 113 17.057 4.210 -30.571 1.00 71.43 C ATOM 1686 CD1 PHE A 113 16.967 3.417 -29.439 1.00 12.52 C ATOM 1687 CD2 PHE A 113 15.897 4.754 -31.097 1.00 14.45 C ATOM 1688 CE1 PHE A 113 15.745 3.171 -28.842 1.00 3.02 C ATOM 1689 CE2 PHE A 113 14.672 4.513 -30.505 1.00 40.02 C ATOM 1690 CZ PHE A 113 14.595 3.719 -29.378 1.00 54.32 C ATOM 0 H PHE A 113 19.447 2.148 -30.579 1.00 22.12 H new ATOM 0 HA PHE A 113 18.092 3.254 -32.960 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.141 4.599 -30.438 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.337 5.416 -31.763 1.00 14.33 H new ATOM 0 HD1 PHE A 113 17.863 2.986 -29.018 1.00 12.52 H new ATOM 0 HD2 PHE A 113 15.951 5.374 -31.980 1.00 14.45 H new ATOM 0 HE1 PHE A 113 15.689 2.552 -27.959 1.00 3.02 H new ATOM 0 HE2 PHE A 113 13.775 4.945 -30.924 1.00 40.02 H new ATOM 0 HZ PHE A 113 13.638 3.527 -28.916 1.00 54.32 H new ATOM 1700 N THR A 114 20.252 3.574 -34.129 1.00 30.22 N ATOM 1701 CA THR A 114 21.471 3.892 -34.863 1.00 45.33 C ATOM 1702 C THR A 114 21.429 5.315 -35.408 1.00 52.03 C ATOM 1703 O THR A 114 20.495 5.694 -36.113 1.00 43.22 O ATOM 1704 CB THR A 114 21.694 2.913 -36.031 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.880 1.585 -35.528 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.903 3.323 -36.857 1.00 73.44 C ATOM 0 H THR A 114 19.490 3.221 -34.708 1.00 30.22 H new ATOM 0 HA THR A 114 22.298 3.800 -34.159 1.00 45.33 H new ATOM 0 HB THR A 114 20.812 2.938 -36.671 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.019 0.968 -36.277 1.00 32.32 H new ATOM 0 HG21 THR A 114 23.041 2.617 -37.676 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.745 4.322 -37.262 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.792 3.324 -36.226 1.00 73.44 H new ATOM 1714 N VAL A 115 22.450 6.100 -35.077 1.00 21.22 N ATOM 1715 CA VAL A 115 22.531 7.481 -35.535 1.00 72.13 C ATOM 1716 C VAL A 115 23.155 7.564 -36.923 1.00 32.00 C ATOM 1717 O VAL A 115 24.182 6.947 -37.208 1.00 71.13 O ATOM 1718 CB VAL A 115 23.353 8.348 -34.562 1.00 34.51 C ATOM 1719 CG1 VAL A 115 23.421 9.786 -35.054 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.763 8.282 -33.162 1.00 0.35 C ATOM 0 H VAL A 115 23.232 5.802 -34.493 1.00 21.22 H new ATOM 0 HA VAL A 115 21.510 7.861 -35.575 1.00 72.13 H new ATOM 0 HB VAL A 115 24.369 7.955 -34.522 1.00 34.51 H new ATOM 0 HG11 VAL A 115 24.006 10.383 -34.354 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.893 9.813 -36.036 1.00 32.02 H new ATOM 0 HG13 VAL A 115 22.413 10.194 -35.125 1.00 32.02 H new ATOM 0 HG21 VAL A 115 23.356 8.900 -32.488 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.737 8.649 -33.182 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.773 7.250 -32.811 1.00 0.35 H new ATOM 1730 N PRO A 116 22.523 8.347 -37.811 1.00 23.44 N ATOM 1731 CA PRO A 116 22.999 8.531 -39.184 1.00 12.20 C ATOM 1732 C PRO A 116 24.292 9.337 -39.247 1.00 62.14 C ATOM 1733 O PRO A 116 24.963 9.531 -38.234 1.00 15.32 O ATOM 1734 CB PRO A 116 21.858 9.299 -39.856 1.00 2.12 C ATOM 1735 CG PRO A 116 21.173 10.011 -38.740 1.00 24.01 C ATOM 1736 CD PRO A 116 21.295 9.115 -37.540 1.00 65.44 C ATOM 0 HA PRO A 116 23.233 7.581 -39.664 1.00 12.20 H new ATOM 0 HB2 PRO A 116 22.237 10.000 -40.600 1.00 2.12 H new ATOM 0 HB3 PRO A 116 21.176 8.623 -40.373 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.636 10.980 -38.552 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.127 10.200 -38.981 1.00 24.01 H new ATOM 0 HD2 PRO A 116 21.375 9.689 -36.617 1.00 65.44 H new ATOM 0 HD3 PRO A 116 20.428 8.463 -37.436 1.00 65.44 H new ATOM 1744 N ARG A 117 24.636 9.803 -40.443 1.00 4.04 N ATOM 1745 CA ARG A 117 25.849 10.588 -40.637 1.00 23.33 C ATOM 1746 C ARG A 117 25.525 12.076 -40.738 1.00 72.14 C ATOM 1747 O ARG A 117 24.450 12.456 -41.199 1.00 53.20 O ATOM 1748 CB ARG A 117 26.583 10.129 -41.899 1.00 24.40 C ATOM 1749 CG ARG A 117 28.035 10.573 -41.956 1.00 3.30 C ATOM 1750 CD ARG A 117 28.209 11.799 -42.839 1.00 34.14 C ATOM 1751 NE ARG A 117 29.508 11.813 -43.504 1.00 31.52 N ATOM 1752 CZ ARG A 117 30.659 11.996 -42.866 1.00 33.23 C ATOM 1753 NH1 ARG A 117 30.671 12.177 -41.552 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 31.801 11.998 -43.541 1.00 55.12 N ATOM 0 H ARG A 117 24.092 9.651 -41.292 1.00 4.04 H new ATOM 0 HA ARG A 117 26.494 10.432 -39.772 1.00 23.33 H new ATOM 0 HB2 ARG A 117 26.542 9.041 -41.957 1.00 24.40 H new ATOM 0 HB3 ARG A 117 26.060 10.515 -42.774 1.00 24.40 H new ATOM 0 HG2 ARG A 117 28.388 10.795 -40.949 1.00 3.30 H new ATOM 0 HG3 ARG A 117 28.651 9.758 -42.337 1.00 3.30 H new ATOM 0 HD2 ARG A 117 27.418 11.822 -43.588 1.00 34.14 H new ATOM 0 HD3 ARG A 117 28.101 12.700 -42.234 1.00 34.14 H new ATOM 0 HE ARG A 117 29.534 11.675 -44.514 1.00 31.52 H new ATOM 0 HH11 ARG A 117 29.795 12.176 -41.029 1.00 32.32 H new ATOM 0 HH12 ARG A 117 31.556 12.317 -41.065 1.00 32.32 H new ATOM 0 HH21 ARG A 117 31.796 11.859 -44.551 1.00 55.12 H new ATOM 0 HH22 ARG A 117 32.684 12.139 -43.050 1.00 55.12 H new ATOM 1768 N ALA A 118 26.463 12.911 -40.304 1.00 53.11 N ATOM 1769 CA ALA A 118 26.278 14.356 -40.347 1.00 11.14 C ATOM 1770 C ALA A 118 26.231 14.861 -41.786 1.00 12.31 C ATOM 1771 O ALA A 118 27.261 14.975 -42.449 1.00 3.41 O ATOM 1772 CB ALA A 118 27.389 15.054 -39.578 1.00 11.25 C ATOM 0 H ALA A 118 27.359 12.612 -39.919 1.00 53.11 H new ATOM 0 HA ALA A 118 25.323 14.589 -39.876 1.00 11.14 H new ATOM 0 HB1 ALA A 118 27.238 16.133 -39.619 1.00 11.25 H new ATOM 0 HB2 ALA A 118 27.375 14.725 -38.539 1.00 11.25 H new ATOM 0 HB3 ALA A 118 28.352 14.806 -40.024 1.00 11.25 H new ATOM 1778 N THR A 119 25.027 15.162 -42.263 1.00 73.41 N ATOM 1779 CA THR A 119 24.844 15.653 -43.624 1.00 14.20 C ATOM 1780 C THR A 119 23.831 16.790 -43.666 1.00 51.53 C ATOM 1781 O THR A 119 23.182 17.095 -42.666 1.00 25.52 O ATOM 1782 CB THR A 119 24.379 14.529 -44.569 1.00 33.41 C ATOM 1783 OG1 THR A 119 24.420 14.982 -45.926 1.00 12.32 O ATOM 1784 CG2 THR A 119 22.967 14.080 -44.221 1.00 33.30 C ATOM 0 H THR A 119 24.164 15.074 -41.727 1.00 73.41 H new ATOM 0 HA THR A 119 25.813 16.022 -43.960 1.00 14.20 H new ATOM 0 HB THR A 119 25.053 13.681 -44.449 1.00 33.41 H new ATOM 0 HG1 THR A 119 24.125 14.261 -46.521 1.00 12.32 H new ATOM 0 HG21 THR A 119 22.660 13.286 -44.901 1.00 33.30 H new ATOM 0 HG22 THR A 119 22.945 13.709 -43.196 1.00 33.30 H new ATOM 0 HG23 THR A 119 22.283 14.924 -44.316 1.00 33.30 H new ATOM 1792 N LYS A 120 23.699 17.415 -44.832 1.00 3.41 N ATOM 1793 CA LYS A 120 22.762 18.519 -45.007 1.00 11.13 C ATOM 1794 C LYS A 120 21.343 18.000 -45.214 1.00 51.15 C ATOM 1795 O LYS A 120 21.132 16.805 -45.419 1.00 3.10 O ATOM 1796 CB LYS A 120 23.180 19.385 -46.197 1.00 73.35 C ATOM 1797 CG LYS A 120 24.211 20.444 -45.848 1.00 23.14 C ATOM 1798 CD LYS A 120 24.704 21.172 -47.087 1.00 22.41 C ATOM 1799 CE LYS A 120 25.715 20.338 -47.858 1.00 40.11 C ATOM 1800 NZ LYS A 120 26.537 21.173 -48.778 1.00 41.15 N1+ ATOM 0 H LYS A 120 24.229 17.176 -45.670 1.00 3.41 H new ATOM 0 HA LYS A 120 22.779 19.125 -44.101 1.00 11.13 H new ATOM 0 HB2 LYS A 120 23.583 18.742 -46.979 1.00 73.35 H new ATOM 0 HB3 LYS A 120 22.296 19.872 -46.609 1.00 73.35 H new ATOM 0 HG2 LYS A 120 23.776 21.161 -45.152 1.00 23.14 H new ATOM 0 HG3 LYS A 120 25.055 19.978 -45.339 1.00 23.14 H new ATOM 0 HD2 LYS A 120 23.858 21.408 -47.732 1.00 22.41 H new ATOM 0 HD3 LYS A 120 25.158 22.120 -46.797 1.00 22.41 H new ATOM 0 HE2 LYS A 120 26.369 19.820 -47.156 1.00 40.11 H new ATOM 0 HE3 LYS A 120 25.192 19.573 -48.432 1.00 40.11 H new ATOM 0 HZ1 LYS A 120 27.214 20.568 -49.285 1.00 41.15 H new ATOM 0 HZ2 LYS A 120 25.916 21.648 -49.464 1.00 41.15 H new ATOM 0 HZ3 LYS A 120 27.056 21.887 -48.228 1.00 41.15 H new ATOM 1814 N ASN A 121 20.373 18.907 -45.161 1.00 64.12 N ATOM 1815 CA ASN A 121 18.973 18.540 -45.345 1.00 63.15 C ATOM 1816 C ASN A 121 18.356 19.314 -46.506 1.00 0.51 C ATOM 1817 O ASN A 121 17.593 18.762 -47.297 1.00 31.55 O ATOM 1818 CB ASN A 121 18.183 18.807 -44.062 1.00 73.33 C ATOM 1819 CG ASN A 121 16.937 17.948 -43.963 1.00 44.14 C ATOM 1820 OD1 ASN A 121 16.230 17.743 -44.950 1.00 64.24 O ATOM 1821 ND2 ASN A 121 16.661 17.442 -42.766 1.00 40.14 N ATOM 0 H ASN A 121 20.530 19.901 -44.992 1.00 64.12 H new ATOM 0 HA ASN A 121 18.929 17.476 -45.577 1.00 63.15 H new ATOM 0 HB2 ASN A 121 18.821 18.618 -43.199 1.00 73.33 H new ATOM 0 HB3 ASN A 121 17.900 19.859 -44.025 1.00 73.33 H new ATOM 0 HD21 ASN A 121 15.835 16.857 -42.638 1.00 40.14 H new ATOM 0 HD22 ASN A 121 17.275 17.638 -41.976 1.00 40.14 H new ATOM 1828 N MET A 122 18.692 20.597 -46.600 1.00 74.51 N ATOM 1829 CA MET A 122 18.172 21.446 -47.664 1.00 43.31 C ATOM 1830 C MET A 122 16.652 21.547 -47.587 1.00 13.55 C ATOM 1831 O MET A 122 15.946 21.142 -48.510 1.00 15.21 O ATOM 1832 CB MET A 122 18.589 20.900 -49.032 1.00 33.13 C ATOM 1833 CG MET A 122 20.054 20.498 -49.104 1.00 63.32 C ATOM 1834 SD MET A 122 20.576 20.077 -50.778 1.00 33.21 S ATOM 1835 CE MET A 122 22.300 20.560 -50.724 1.00 62.33 C ATOM 0 H MET A 122 19.322 21.070 -45.952 1.00 74.51 H new ATOM 0 HA MET A 122 18.592 22.444 -47.535 1.00 43.31 H new ATOM 0 HB2 MET A 122 17.971 20.035 -49.273 1.00 33.13 H new ATOM 0 HB3 MET A 122 18.390 21.656 -49.792 1.00 33.13 H new ATOM 0 HG2 MET A 122 20.670 21.316 -48.730 1.00 63.32 H new ATOM 0 HG3 MET A 122 20.225 19.644 -48.448 1.00 63.32 H new ATOM 0 HE1 MET A 122 22.764 20.361 -51.690 1.00 62.33 H new ATOM 0 HE2 MET A 122 22.373 21.624 -50.499 1.00 62.33 H new ATOM 0 HE3 MET A 122 22.814 19.989 -49.950 1.00 62.33 H new ATOM 1845 N ALA A 123 16.155 22.088 -46.480 1.00 62.43 N ATOM 1846 CA ALA A 123 14.719 22.242 -46.283 1.00 20.11 C ATOM 1847 C ALA A 123 14.346 23.708 -46.084 1.00 52.22 C ATOM 1848 O ALA A 123 15.217 24.576 -46.014 1.00 2.23 O ATOM 1849 CB ALA A 123 14.256 21.412 -45.095 1.00 51.33 C ATOM 0 H ALA A 123 16.726 22.427 -45.706 1.00 62.43 H new ATOM 0 HA ALA A 123 14.214 21.884 -47.180 1.00 20.11 H new ATOM 0 HB1 ALA A 123 13.182 21.537 -44.960 1.00 51.33 H new ATOM 0 HB2 ALA A 123 14.479 20.361 -45.277 1.00 51.33 H new ATOM 0 HB3 ALA A 123 14.775 21.743 -44.196 1.00 51.33 H new ATOM 1855 N VAL A 124 13.048 23.976 -45.993 1.00 12.32 N ATOM 1856 CA VAL A 124 12.561 25.338 -45.801 1.00 34.21 C ATOM 1857 C VAL A 124 11.847 25.482 -44.461 1.00 0.24 C ATOM 1858 O VAL A 124 11.018 24.648 -44.095 1.00 1.13 O ATOM 1859 CB VAL A 124 11.599 25.753 -46.929 1.00 43.14 C ATOM 1860 CG1 VAL A 124 11.253 27.230 -46.819 1.00 44.35 C ATOM 1861 CG2 VAL A 124 12.206 25.440 -48.289 1.00 31.53 C ATOM 0 H VAL A 124 12.315 23.269 -46.049 1.00 12.32 H new ATOM 0 HA VAL A 124 13.433 25.992 -45.817 1.00 34.21 H new ATOM 0 HB VAL A 124 10.678 25.179 -46.826 1.00 43.14 H new ATOM 0 HG11 VAL A 124 10.572 27.505 -47.625 1.00 44.35 H new ATOM 0 HG12 VAL A 124 10.775 27.421 -45.858 1.00 44.35 H new ATOM 0 HG13 VAL A 124 12.164 27.824 -46.895 1.00 44.35 H new ATOM 0 HG21 VAL A 124 11.513 25.740 -49.075 1.00 31.53 H new ATOM 0 HG22 VAL A 124 13.142 25.986 -48.404 1.00 31.53 H new ATOM 0 HG23 VAL A 124 12.398 24.370 -48.364 1.00 31.53 H new ATOM 1871 N ASP A 125 12.174 26.545 -43.735 1.00 50.35 N ATOM 1872 CA ASP A 125 11.563 26.801 -42.435 1.00 62.21 C ATOM 1873 C ASP A 125 11.122 28.257 -42.319 1.00 45.30 C ATOM 1874 O ASP A 125 11.783 29.159 -42.831 1.00 64.33 O ATOM 1875 CB ASP A 125 12.544 26.461 -41.312 1.00 71.03 C ATOM 1876 CG ASP A 125 13.936 27.001 -41.575 1.00 62.23 C ATOM 1877 OD1 ASP A 125 14.745 26.281 -42.198 1.00 41.11 O ATOM 1878 OD2 ASP A 125 14.216 28.144 -41.159 1.00 63.51 O1- ATOM 0 H ASP A 125 12.859 27.244 -44.024 1.00 50.35 H new ATOM 0 HA ASP A 125 10.682 26.165 -42.343 1.00 62.21 H new ATOM 0 HB2 ASP A 125 12.171 26.868 -40.372 1.00 71.03 H new ATOM 0 HB3 ASP A 125 12.594 25.379 -41.193 1.00 71.03 H new ATOM 1883 N GLY A 126 9.999 28.477 -41.643 1.00 32.22 N ATOM 1884 CA GLY A 126 9.487 29.824 -41.473 1.00 22.23 C ATOM 1885 C GLY A 126 8.664 29.976 -40.209 1.00 23.11 C ATOM 1886 O GLY A 126 7.460 30.223 -40.270 1.00 73.43 O ATOM 0 H GLY A 126 9.434 27.746 -41.210 1.00 32.22 H new ATOM 0 HA2 GLY A 126 10.321 30.526 -41.447 1.00 22.23 H new ATOM 0 HA3 GLY A 126 8.875 30.088 -42.335 1.00 22.23 H new ATOM 1890 N PHE A 127 9.316 29.828 -39.060 1.00 42.33 N ATOM 1891 CA PHE A 127 8.637 29.949 -37.776 1.00 23.03 C ATOM 1892 C PHE A 127 9.145 31.163 -37.003 1.00 1.32 C ATOM 1893 O PHE A 127 10.341 31.288 -36.738 1.00 74.31 O ATOM 1894 CB PHE A 127 8.840 28.680 -36.946 1.00 35.24 C ATOM 1895 CG PHE A 127 7.913 27.561 -37.326 1.00 61.51 C ATOM 1896 CD1 PHE A 127 8.327 26.568 -38.199 1.00 3.43 C ATOM 1897 CD2 PHE A 127 6.629 27.501 -36.809 1.00 41.13 C ATOM 1898 CE1 PHE A 127 7.476 25.536 -38.551 1.00 12.22 C ATOM 1899 CE2 PHE A 127 5.774 26.471 -37.156 1.00 13.40 C ATOM 1900 CZ PHE A 127 6.198 25.489 -38.029 1.00 1.02 C ATOM 0 H PHE A 127 10.313 29.624 -38.993 1.00 42.33 H new ATOM 0 HA PHE A 127 7.572 30.083 -37.968 1.00 23.03 H new ATOM 0 HB2 PHE A 127 9.870 28.342 -37.059 1.00 35.24 H new ATOM 0 HB3 PHE A 127 8.697 28.918 -35.892 1.00 35.24 H new ATOM 0 HD1 PHE A 127 9.326 26.600 -38.609 1.00 3.43 H new ATOM 0 HD2 PHE A 127 6.292 28.268 -36.127 1.00 41.13 H new ATOM 0 HE1 PHE A 127 7.810 24.768 -39.233 1.00 12.22 H new ATOM 0 HE2 PHE A 127 4.776 26.435 -36.745 1.00 13.40 H new ATOM 0 HZ PHE A 127 5.531 24.685 -38.303 1.00 1.02 H new ATOM 1910 N LYS A 128 8.229 32.055 -36.643 1.00 65.05 N ATOM 1911 CA LYS A 128 8.581 33.259 -35.900 1.00 0.22 C ATOM 1912 C LYS A 128 7.638 33.467 -34.721 1.00 2.55 C ATOM 1913 O LYS A 128 6.513 32.964 -34.698 1.00 2.22 O ATOM 1914 CB LYS A 128 8.543 34.480 -36.821 1.00 35.34 C ATOM 1915 CG LYS A 128 7.356 34.491 -37.768 1.00 41.42 C ATOM 1916 CD LYS A 128 7.691 33.817 -39.089 1.00 55.02 C ATOM 1917 CE LYS A 128 8.262 34.808 -40.091 1.00 44.30 C ATOM 1918 NZ LYS A 128 9.717 35.044 -39.870 1.00 71.43 N1+ ATOM 0 H LYS A 128 7.235 31.967 -36.854 1.00 65.05 H new ATOM 0 HA LYS A 128 9.593 33.135 -35.514 1.00 0.22 H new ATOM 0 HB2 LYS A 128 8.519 35.384 -36.212 1.00 35.34 H new ATOM 0 HB3 LYS A 128 9.463 34.513 -37.405 1.00 35.34 H new ATOM 0 HG2 LYS A 128 6.513 33.981 -37.302 1.00 41.42 H new ATOM 0 HG3 LYS A 128 7.045 35.519 -37.952 1.00 41.42 H new ATOM 0 HD2 LYS A 128 8.410 33.016 -38.918 1.00 55.02 H new ATOM 0 HD3 LYS A 128 6.793 33.357 -39.502 1.00 55.02 H new ATOM 0 HE2 LYS A 128 8.104 34.434 -41.102 1.00 44.30 H new ATOM 0 HE3 LYS A 128 7.725 35.753 -40.014 1.00 44.30 H new ATOM 0 HZ1 LYS A 128 10.151 35.387 -40.751 1.00 71.43 H new ATOM 0 HZ2 LYS A 128 9.844 35.755 -39.122 1.00 71.43 H new ATOM 0 HZ3 LYS A 128 10.173 34.155 -39.583 1.00 71.43 H new ATOM 1932 N PRO A 129 8.100 34.227 -33.718 1.00 72.11 N ATOM 1933 CA PRO A 129 7.311 34.521 -32.517 1.00 73.12 C ATOM 1934 C PRO A 129 6.138 35.449 -32.808 1.00 21.15 C ATOM 1935 O PRO A 129 6.196 36.273 -33.721 1.00 62.32 O ATOM 1936 CB PRO A 129 8.318 35.205 -31.589 1.00 45.02 C ATOM 1937 CG PRO A 129 9.336 35.794 -32.504 1.00 53.15 C ATOM 1938 CD PRO A 129 9.430 34.857 -33.677 1.00 34.35 C ATOM 0 HA PRO A 129 6.863 33.622 -32.093 1.00 73.12 H new ATOM 0 HB2 PRO A 129 7.839 35.974 -30.982 1.00 45.02 H new ATOM 0 HB3 PRO A 129 8.770 34.491 -30.900 1.00 45.02 H new ATOM 0 HG2 PRO A 129 9.041 36.793 -32.825 1.00 53.15 H new ATOM 0 HG3 PRO A 129 10.300 35.892 -32.004 1.00 53.15 H new ATOM 0 HD2 PRO A 129 9.650 35.391 -34.601 1.00 34.35 H new ATOM 0 HD3 PRO A 129 10.220 34.119 -33.539 1.00 34.35 H new ATOM 1946 N LYS A 130 5.071 35.310 -32.027 1.00 15.20 N ATOM 1947 CA LYS A 130 3.883 36.138 -32.199 1.00 11.44 C ATOM 1948 C LYS A 130 3.307 36.549 -30.848 1.00 3.25 C ATOM 1949 O LYS A 130 2.241 36.089 -30.436 1.00 43.11 O ATOM 1950 CB LYS A 130 2.826 35.385 -33.011 1.00 1.11 C ATOM 1951 CG LYS A 130 1.778 36.292 -33.633 1.00 1.34 C ATOM 1952 CD LYS A 130 2.332 37.042 -34.833 1.00 53.24 C ATOM 1953 CE LYS A 130 1.239 37.370 -35.838 1.00 72.42 C ATOM 1954 NZ LYS A 130 0.873 36.187 -36.666 1.00 22.44 N1+ ATOM 0 H LYS A 130 5.005 34.631 -31.269 1.00 15.20 H new ATOM 0 HA LYS A 130 4.172 37.040 -32.739 1.00 11.44 H new ATOM 0 HB2 LYS A 130 3.321 34.820 -33.801 1.00 1.11 H new ATOM 0 HB3 LYS A 130 2.330 34.661 -32.364 1.00 1.11 H new ATOM 0 HG2 LYS A 130 0.917 35.698 -33.940 1.00 1.34 H new ATOM 0 HG3 LYS A 130 1.424 37.005 -32.888 1.00 1.34 H new ATOM 0 HD2 LYS A 130 2.809 37.963 -34.499 1.00 53.24 H new ATOM 0 HD3 LYS A 130 3.103 36.441 -35.315 1.00 53.24 H new ATOM 0 HE2 LYS A 130 0.356 37.731 -35.310 1.00 72.42 H new ATOM 0 HE3 LYS A 130 1.574 38.178 -36.488 1.00 72.42 H new ATOM 0 HZ1 LYS A 130 0.137 36.456 -37.350 1.00 22.44 H new ATOM 0 HZ2 LYS A 130 1.713 35.848 -37.177 1.00 22.44 H new ATOM 0 HZ3 LYS A 130 0.513 35.430 -36.050 1.00 22.44 H new ATOM 1968 N PRO A 131 4.024 37.435 -30.142 1.00 61.00 N ATOM 1969 CA PRO A 131 3.600 37.928 -28.828 1.00 32.35 C ATOM 1970 C PRO A 131 2.379 38.838 -28.916 1.00 31.34 C ATOM 1971 O PRO A 131 1.428 38.693 -28.147 1.00 23.11 O ATOM 1972 CB PRO A 131 4.817 38.714 -28.336 1.00 15.11 C ATOM 1973 CG PRO A 131 5.529 39.129 -29.577 1.00 73.03 C ATOM 1974 CD PRO A 131 5.302 38.025 -30.572 1.00 44.23 C ATOM 0 HA PRO A 131 3.302 37.116 -28.165 1.00 32.35 H new ATOM 0 HB2 PRO A 131 4.517 39.579 -27.744 1.00 15.11 H new ATOM 0 HB3 PRO A 131 5.455 38.099 -27.701 1.00 15.11 H new ATOM 0 HG2 PRO A 131 5.142 40.077 -29.951 1.00 73.03 H new ATOM 0 HG3 PRO A 131 6.593 39.271 -29.388 1.00 73.03 H new ATOM 0 HD2 PRO A 131 5.245 38.408 -31.591 1.00 44.23 H new ATOM 0 HD3 PRO A 131 6.110 37.293 -30.551 1.00 44.23 H new ATOM 1982 N HIS A 132 2.411 39.775 -29.859 1.00 72.12 N ATOM 1983 CA HIS A 132 1.306 40.708 -30.047 1.00 11.44 C ATOM 1984 C HIS A 132 0.465 40.315 -31.258 1.00 44.33 C ATOM 1985 O HIS A 132 0.845 40.634 -32.383 1.00 51.01 O ATOM 1986 CB HIS A 132 1.837 42.131 -30.220 1.00 21.33 C ATOM 1987 CG HIS A 132 2.058 42.850 -28.925 1.00 14.41 C ATOM 1988 ND1 HIS A 132 1.379 43.999 -28.576 1.00 32.41 N ATOM 1989 CD2 HIS A 132 2.888 42.576 -27.891 1.00 31.54 C ATOM 1990 CE1 HIS A 132 1.783 44.400 -27.384 1.00 53.00 C ATOM 1991 NE2 HIS A 132 2.698 43.555 -26.947 1.00 24.25 N ATOM 0 H HIS A 132 3.190 39.908 -30.504 1.00 72.12 H new ATOM 0 HA HIS A 132 0.674 40.670 -29.160 1.00 11.44 H new ATOM 0 HB2 HIS A 132 2.777 42.095 -30.771 1.00 21.33 H new ATOM 0 HB3 HIS A 132 1.134 42.701 -30.827 1.00 21.33 H new ATOM 0 HD2 HIS A 132 3.572 41.743 -27.822 1.00 31.54 H new ATOM 0 HE1 HIS A 132 1.425 45.272 -26.856 1.00 53.00 H new ATOM 0 HE2 HIS A 132 3.185 43.619 -26.053 1.00 24.25 H new TER 1999 HIS A 132 HETATM 2000 FE1 FES A 200 12.447 19.013 -35.778 1.00 71.43 FE HETATM 2001 FE2 FES A 200 11.467 16.471 -35.581 1.00 2.34 FE HETATM 2002 S1 FES A 200 12.083 17.784 -33.994 1.00 50.50 S HETATM 2003 S2 FES A 200 11.759 17.706 -37.377 1.00 65.42 S