USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1029 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 26 SER OG : rot 87:sc= -4.02! USER MOD Set 1.2: A 28 THR OG1 : rot -81:sc= 0.0905 USER MOD Single : A 3 MET CE :methyl -157:sc= -0.65 (180deg=-3.05) USER MOD Single : A 4 THR OG1 : rot 92:sc= 0.676 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 31:sc= 0.18 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 35 SER OG : rot -177:sc= 1.25 USER MOD Single : A 36 ASN : amide:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.396 K(o=-0.4,f=-1.2) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -164:sc= -0.136 (180deg=-0.613) USER MOD Single : A 53 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.22) USER MOD Single : A 63 MET CE :methyl 139:sc= -0.905 (180deg=-6.42!) USER MOD Single : A 71 ASN : amide:sc=-0.00546 K(o=-0.0055,f=-0.77) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.473 F(o=-1.8,f=-0.47) USER MOD Single : A 75 THR OG1 : rot -170:sc= -0.215 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot -33:sc= 0.265 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.7!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 112:sc= -0.549 USER MOD Single : A 102 ASN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.85! C(o=-1.9!,f=-4.5!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= -0.182 (180deg=-0.182) USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot -51:sc= 0.167 USER MOD Single : A 130 ASN : amide:sc= -0.165 X(o=-0.17,f=0.21) USER MOD Single : A 131 THR OG1 : rot 68:sc= 1 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N VAL A 2 4.626 2.478 0.313 1.00 52.21 N ATOM 19 CA VAL A 2 3.402 3.205 -0.006 1.00 25.51 C ATOM 20 C VAL A 2 2.839 3.900 1.228 1.00 34.42 C ATOM 21 O VAL A 2 2.172 3.276 2.054 1.00 42.21 O ATOM 22 CB VAL A 2 2.329 2.267 -0.589 1.00 73.20 C ATOM 23 CG1 VAL A 2 1.084 3.053 -0.971 1.00 35.42 C ATOM 24 CG2 VAL A 2 2.879 1.508 -1.787 1.00 74.04 C ATOM 0 HA VAL A 2 3.663 3.954 -0.753 1.00 25.51 H new ATOM 0 HB VAL A 2 2.051 1.541 0.175 1.00 73.20 H new ATOM 0 HG11 VAL A 2 0.337 2.374 -1.381 1.00 35.42 H new ATOM 0 HG12 VAL A 2 0.680 3.546 -0.087 1.00 35.42 H new ATOM 0 HG13 VAL A 2 1.342 3.803 -1.719 1.00 35.42 H new ATOM 0 HG21 VAL A 2 2.107 0.850 -2.186 1.00 74.04 H new ATOM 0 HG22 VAL A 2 3.186 2.216 -2.557 1.00 74.04 H new ATOM 0 HG23 VAL A 2 3.738 0.913 -1.478 1.00 74.04 H new ATOM 34 N MET A 3 3.110 5.195 1.347 1.00 41.11 N ATOM 35 CA MET A 3 2.628 5.976 2.480 1.00 31.02 C ATOM 36 C MET A 3 1.350 6.726 2.119 1.00 33.12 C ATOM 37 O MET A 3 0.917 6.718 0.966 1.00 2.30 O ATOM 38 CB MET A 3 3.701 6.965 2.939 1.00 41.10 C ATOM 39 CG MET A 3 3.865 8.158 2.011 1.00 71.31 C ATOM 40 SD MET A 3 5.056 9.361 2.630 1.00 5.10 S ATOM 41 CE MET A 3 4.322 9.784 4.208 1.00 52.12 C ATOM 0 H MET A 3 3.661 5.726 0.673 1.00 41.11 H new ATOM 0 HA MET A 3 2.406 5.287 3.295 1.00 31.02 H new ATOM 0 HB2 MET A 3 3.450 7.323 3.937 1.00 41.10 H new ATOM 0 HB3 MET A 3 4.655 6.443 3.018 1.00 41.10 H new ATOM 0 HG2 MET A 3 4.184 7.808 1.029 1.00 71.31 H new ATOM 0 HG3 MET A 3 2.899 8.645 1.877 1.00 71.31 H new ATOM 0 HE1 MET A 3 4.677 10.765 4.523 1.00 52.12 H new ATOM 0 HE2 MET A 3 3.237 9.805 4.111 1.00 52.12 H new ATOM 0 HE3 MET A 3 4.605 9.040 4.952 1.00 52.12 H new ATOM 51 N THR A 4 0.748 7.373 3.112 1.00 11.33 N ATOM 52 CA THR A 4 -0.481 8.127 2.899 1.00 34.34 C ATOM 53 C THR A 4 -0.452 9.451 3.654 1.00 35.22 C ATOM 54 O THR A 4 -0.547 9.480 4.881 1.00 24.33 O ATOM 55 CB THR A 4 -1.717 7.322 3.344 1.00 14.22 C ATOM 56 OG1 THR A 4 -1.430 5.920 3.304 1.00 3.14 O ATOM 57 CG2 THR A 4 -2.911 7.626 2.451 1.00 62.21 C ATOM 0 H THR A 4 1.092 7.390 4.072 1.00 11.33 H new ATOM 0 HA THR A 4 -0.550 8.324 1.829 1.00 34.34 H new ATOM 0 HB THR A 4 -1.963 7.612 4.365 1.00 14.22 H new ATOM 0 HG1 THR A 4 -1.100 5.629 4.179 1.00 3.14 H new ATOM 0 HG21 THR A 4 -3.772 7.046 2.784 1.00 62.21 H new ATOM 0 HG22 THR A 4 -3.146 8.689 2.507 1.00 62.21 H new ATOM 0 HG23 THR A 4 -2.672 7.361 1.421 1.00 62.21 H new ATOM 65 N VAL A 5 -0.322 10.547 2.913 1.00 72.51 N ATOM 66 CA VAL A 5 -0.283 11.875 3.513 1.00 62.14 C ATOM 67 C VAL A 5 -1.673 12.500 3.556 1.00 22.31 C ATOM 68 O VAL A 5 -2.433 12.415 2.592 1.00 71.24 O ATOM 69 CB VAL A 5 0.665 12.812 2.740 1.00 30.50 C ATOM 70 CG1 VAL A 5 0.706 14.185 3.392 1.00 44.44 C ATOM 71 CG2 VAL A 5 2.059 12.209 2.658 1.00 23.35 C ATOM 0 H VAL A 5 -0.242 10.541 1.896 1.00 72.51 H new ATOM 0 HA VAL A 5 0.088 11.752 4.530 1.00 62.14 H new ATOM 0 HB VAL A 5 0.285 12.930 1.725 1.00 30.50 H new ATOM 0 HG11 VAL A 5 1.380 14.833 2.833 1.00 44.44 H new ATOM 0 HG12 VAL A 5 -0.295 14.617 3.393 1.00 44.44 H new ATOM 0 HG13 VAL A 5 1.062 14.090 4.418 1.00 44.44 H new ATOM 0 HG21 VAL A 5 2.716 12.884 2.109 1.00 23.35 H new ATOM 0 HG22 VAL A 5 2.451 12.060 3.664 1.00 23.35 H new ATOM 0 HG23 VAL A 5 2.011 11.250 2.142 1.00 23.35 H new ATOM 81 N ARG A 6 -1.998 13.128 4.681 1.00 33.43 N ATOM 82 CA ARG A 6 -3.298 13.767 4.851 1.00 24.42 C ATOM 83 C ARG A 6 -3.137 15.202 5.345 1.00 34.50 C ATOM 84 O ARG A 6 -2.396 15.464 6.292 1.00 0.20 O ATOM 85 CB ARG A 6 -4.157 12.970 5.835 1.00 4.32 C ATOM 86 CG ARG A 6 -3.994 11.465 5.706 1.00 61.45 C ATOM 87 CD ARG A 6 -5.056 10.719 6.498 1.00 10.24 C ATOM 88 NE ARG A 6 -4.594 10.370 7.839 1.00 62.10 N ATOM 89 CZ ARG A 6 -5.397 9.933 8.803 1.00 40.42 C ATOM 90 NH1 ARG A 6 -6.696 9.793 8.575 1.00 4.03 N ATOM 91 NH2 ARG A 6 -4.901 9.636 9.997 1.00 33.22 N ATOM 0 H ARG A 6 -1.380 13.208 5.488 1.00 33.43 H new ATOM 0 HA ARG A 6 -3.795 13.788 3.881 1.00 24.42 H new ATOM 0 HB2 ARG A 6 -3.901 13.269 6.852 1.00 4.32 H new ATOM 0 HB3 ARG A 6 -5.205 13.228 5.681 1.00 4.32 H new ATOM 0 HG2 ARG A 6 -4.055 11.180 4.656 1.00 61.45 H new ATOM 0 HG3 ARG A 6 -3.004 11.174 6.058 1.00 61.45 H new ATOM 0 HD2 ARG A 6 -5.952 11.335 6.572 1.00 10.24 H new ATOM 0 HD3 ARG A 6 -5.336 9.811 5.963 1.00 10.24 H new ATOM 0 HE ARG A 6 -3.600 10.467 8.047 1.00 62.10 H new ATOM 0 HH11 ARG A 6 -7.080 10.021 7.658 1.00 4.03 H new ATOM 0 HH12 ARG A 6 -7.311 9.457 9.317 1.00 4.03 H new ATOM 0 HH21 ARG A 6 -3.902 9.743 10.175 1.00 33.22 H new ATOM 0 HH22 ARG A 6 -5.518 9.301 10.737 1.00 33.22 H new ATOM 105 N VAL A 7 -3.837 16.127 4.696 1.00 34.23 N ATOM 106 CA VAL A 7 -3.774 17.535 5.069 1.00 24.13 C ATOM 107 C VAL A 7 -4.991 17.941 5.893 1.00 62.05 C ATOM 108 O VAL A 7 -6.097 17.448 5.669 1.00 64.42 O ATOM 109 CB VAL A 7 -3.682 18.441 3.827 1.00 31.02 C ATOM 110 CG1 VAL A 7 -3.479 19.891 4.238 1.00 53.51 C ATOM 111 CG2 VAL A 7 -2.561 17.976 2.911 1.00 44.05 C ATOM 0 H VAL A 7 -4.454 15.926 3.909 1.00 34.23 H new ATOM 0 HA VAL A 7 -2.874 17.663 5.670 1.00 24.13 H new ATOM 0 HB VAL A 7 -4.621 18.372 3.278 1.00 31.02 H new ATOM 0 HG11 VAL A 7 -3.416 20.516 3.347 1.00 53.51 H new ATOM 0 HG12 VAL A 7 -4.319 20.216 4.851 1.00 53.51 H new ATOM 0 HG13 VAL A 7 -2.556 19.981 4.810 1.00 53.51 H new ATOM 0 HG21 VAL A 7 -2.510 18.627 2.038 1.00 44.05 H new ATOM 0 HG22 VAL A 7 -1.613 18.014 3.448 1.00 44.05 H new ATOM 0 HG23 VAL A 7 -2.755 16.953 2.589 1.00 44.05 H new ATOM 121 N ILE A 8 -4.780 18.843 6.845 1.00 43.21 N ATOM 122 CA ILE A 8 -5.860 19.317 7.701 1.00 74.13 C ATOM 123 C ILE A 8 -5.804 20.831 7.870 1.00 3.32 C ATOM 124 O ILE A 8 -4.767 21.387 8.231 1.00 1.31 O ATOM 125 CB ILE A 8 -5.810 18.654 9.090 1.00 73.11 C ATOM 126 CG1 ILE A 8 -5.730 17.132 8.950 1.00 2.32 C ATOM 127 CG2 ILE A 8 -7.028 19.052 9.911 1.00 4.20 C ATOM 128 CD1 ILE A 8 -6.951 16.520 8.302 1.00 73.44 C ATOM 0 H ILE A 8 -3.871 19.260 7.043 1.00 43.21 H new ATOM 0 HA ILE A 8 -6.794 19.043 7.210 1.00 74.13 H new ATOM 0 HB ILE A 8 -4.917 19.000 9.610 1.00 73.11 H new ATOM 0 HG12 ILE A 8 -4.849 16.875 8.362 1.00 2.32 H new ATOM 0 HG13 ILE A 8 -5.593 16.691 9.937 1.00 2.32 H new ATOM 0 HG21 ILE A 8 -6.978 18.576 10.890 1.00 4.20 H new ATOM 0 HG22 ILE A 8 -7.045 20.135 10.035 1.00 4.20 H new ATOM 0 HG23 ILE A 8 -7.934 18.731 9.397 1.00 4.20 H new ATOM 0 HD11 ILE A 8 -6.825 15.439 8.235 1.00 73.44 H new ATOM 0 HD12 ILE A 8 -7.833 16.746 8.901 1.00 73.44 H new ATOM 0 HD13 ILE A 8 -7.077 16.933 7.301 1.00 73.44 H new ATOM 140 N ALA A 9 -6.926 21.493 7.609 1.00 73.11 N ATOM 141 CA ALA A 9 -7.006 22.943 7.736 1.00 21.32 C ATOM 142 C ALA A 9 -7.586 23.344 9.088 1.00 11.11 C ATOM 143 O ALA A 9 -8.237 22.553 9.771 1.00 60.11 O ATOM 144 CB ALA A 9 -7.842 23.527 6.607 1.00 65.33 C ATOM 0 H ALA A 9 -7.793 21.048 7.308 1.00 73.11 H new ATOM 0 HA ALA A 9 -5.995 23.345 7.670 1.00 21.32 H new ATOM 0 HB1 ALA A 9 -7.893 24.610 6.715 1.00 65.33 H new ATOM 0 HB2 ALA A 9 -7.384 23.279 5.649 1.00 65.33 H new ATOM 0 HB3 ALA A 9 -8.849 23.111 6.647 1.00 65.33 H new ATOM 150 N PRO A 10 -7.346 24.602 9.486 1.00 4.13 N ATOM 151 CA PRO A 10 -7.836 25.137 10.760 1.00 24.32 C ATOM 152 C PRO A 10 -9.349 25.319 10.768 1.00 15.52 C ATOM 153 O PRO A 10 -9.942 25.622 11.804 1.00 73.10 O ATOM 154 CB PRO A 10 -7.133 26.492 10.870 1.00 23.01 C ATOM 155 CG PRO A 10 -6.841 26.882 9.462 1.00 3.54 C ATOM 156 CD PRO A 10 -6.577 25.600 8.723 1.00 31.11 C ATOM 0 HA PRO A 10 -7.627 24.465 11.592 1.00 24.32 H new ATOM 0 HB2 PRO A 10 -7.768 27.229 11.361 1.00 23.01 H new ATOM 0 HB3 PRO A 10 -6.218 26.417 11.458 1.00 23.01 H new ATOM 0 HG2 PRO A 10 -7.682 27.419 9.023 1.00 3.54 H new ATOM 0 HG3 PRO A 10 -5.978 27.546 9.412 1.00 3.54 H new ATOM 0 HD2 PRO A 10 -6.910 25.658 7.687 1.00 31.11 H new ATOM 0 HD3 PRO A 10 -5.514 25.359 8.703 1.00 31.11 H new ATOM 164 N ASP A 11 -9.969 25.134 9.608 1.00 72.21 N ATOM 165 CA ASP A 11 -11.415 25.277 9.482 1.00 61.22 C ATOM 166 C ASP A 11 -12.085 23.914 9.339 1.00 34.02 C ATOM 167 O ASP A 11 -13.279 23.767 9.602 1.00 72.43 O ATOM 168 CB ASP A 11 -11.759 26.157 8.279 1.00 61.41 C ATOM 169 CG ASP A 11 -11.484 25.465 6.958 1.00 33.32 C ATOM 170 OD1 ASP A 11 -10.334 25.538 6.478 1.00 21.05 O ATOM 171 OD2 ASP A 11 -12.420 24.851 6.404 1.00 72.31 O ATOM 0 H ASP A 11 -9.493 24.885 8.741 1.00 72.21 H new ATOM 0 HA ASP A 11 -11.789 25.752 10.389 1.00 61.22 H new ATOM 0 HB2 ASP A 11 -12.811 26.438 8.327 1.00 61.41 H new ATOM 0 HB3 ASP A 11 -11.181 27.079 8.330 1.00 61.41 H new ATOM 176 N LYS A 12 -11.310 22.920 8.920 1.00 22.34 N ATOM 177 CA LYS A 12 -11.827 21.568 8.742 1.00 10.24 C ATOM 178 C LYS A 12 -10.756 20.647 8.168 1.00 62.05 C ATOM 179 O LYS A 12 -9.581 21.009 8.101 1.00 43.45 O ATOM 180 CB LYS A 12 -13.049 21.585 7.821 1.00 64.33 C ATOM 181 CG LYS A 12 -14.275 20.923 8.424 1.00 31.34 C ATOM 182 CD LYS A 12 -15.501 21.114 7.547 1.00 63.53 C ATOM 183 CE LYS A 12 -16.722 20.428 8.139 1.00 74.43 C ATOM 184 NZ LYS A 12 -17.955 21.245 7.967 1.00 11.22 N ATOM 0 H LYS A 12 -10.320 23.025 8.697 1.00 22.34 H new ATOM 0 HA LYS A 12 -12.122 21.187 9.720 1.00 10.24 H new ATOM 0 HB2 LYS A 12 -13.290 22.618 7.571 1.00 64.33 H new ATOM 0 HB3 LYS A 12 -12.797 21.082 6.888 1.00 64.33 H new ATOM 0 HG2 LYS A 12 -14.085 19.858 8.559 1.00 31.34 H new ATOM 0 HG3 LYS A 12 -14.465 21.340 9.413 1.00 31.34 H new ATOM 0 HD2 LYS A 12 -15.702 22.179 7.428 1.00 63.53 H new ATOM 0 HD3 LYS A 12 -15.304 20.714 6.552 1.00 63.53 H new ATOM 0 HE2 LYS A 12 -16.860 19.457 7.662 1.00 74.43 H new ATOM 0 HE3 LYS A 12 -16.555 20.241 9.200 1.00 74.43 H new ATOM 0 HZ1 LYS A 12 -18.765 20.743 8.384 1.00 11.22 H new ATOM 0 HZ2 LYS A 12 -17.833 22.161 8.443 1.00 11.22 H new ATOM 0 HZ3 LYS A 12 -18.129 21.402 6.954 1.00 11.22 H new ATOM 198 N THR A 13 -11.169 19.454 7.752 1.00 64.52 N ATOM 199 CA THR A 13 -10.245 18.481 7.182 1.00 23.13 C ATOM 200 C THR A 13 -10.137 18.645 5.671 1.00 62.44 C ATOM 201 O THR A 13 -11.147 18.705 4.969 1.00 44.11 O ATOM 202 CB THR A 13 -10.681 17.038 7.501 1.00 3.32 C ATOM 203 OG1 THR A 13 -11.890 16.726 6.801 1.00 71.11 O ATOM 204 CG2 THR A 13 -10.893 16.855 8.996 1.00 3.04 C ATOM 0 H THR A 13 -12.138 19.138 7.799 1.00 64.52 H new ATOM 0 HA THR A 13 -9.271 18.667 7.635 1.00 23.13 H new ATOM 0 HB THR A 13 -9.889 16.362 7.177 1.00 3.32 H new ATOM 0 HG1 THR A 13 -11.921 17.229 5.961 1.00 71.11 H new ATOM 0 HG21 THR A 13 -11.200 15.829 9.197 1.00 3.04 H new ATOM 0 HG22 THR A 13 -9.963 17.065 9.524 1.00 3.04 H new ATOM 0 HG23 THR A 13 -11.668 17.540 9.340 1.00 3.04 H new ATOM 212 N VAL A 14 -8.906 18.715 5.174 1.00 42.30 N ATOM 213 CA VAL A 14 -8.666 18.870 3.744 1.00 10.22 C ATOM 214 C VAL A 14 -8.945 17.571 2.996 1.00 4.33 C ATOM 215 O VAL A 14 -9.914 17.472 2.244 1.00 32.04 O ATOM 216 CB VAL A 14 -7.217 19.311 3.463 1.00 54.34 C ATOM 217 CG1 VAL A 14 -7.045 19.673 1.995 1.00 2.13 C ATOM 218 CG2 VAL A 14 -6.833 20.480 4.357 1.00 15.32 C ATOM 0 H VAL A 14 -8.059 18.667 5.741 1.00 42.30 H new ATOM 0 HA VAL A 14 -9.348 19.643 3.390 1.00 10.22 H new ATOM 0 HB VAL A 14 -6.551 18.478 3.688 1.00 54.34 H new ATOM 0 HG11 VAL A 14 -6.015 19.982 1.815 1.00 2.13 H new ATOM 0 HG12 VAL A 14 -7.277 18.806 1.377 1.00 2.13 H new ATOM 0 HG13 VAL A 14 -7.719 20.491 1.740 1.00 2.13 H new ATOM 0 HG21 VAL A 14 -5.806 20.778 4.145 1.00 15.32 H new ATOM 0 HG22 VAL A 14 -7.502 21.319 4.166 1.00 15.32 H new ATOM 0 HG23 VAL A 14 -6.915 20.181 5.402 1.00 15.32 H new ATOM 228 N TRP A 15 -8.089 16.578 3.208 1.00 3.22 N ATOM 229 CA TRP A 15 -8.243 15.284 2.554 1.00 71.20 C ATOM 230 C TRP A 15 -7.125 14.331 2.962 1.00 31.21 C ATOM 231 O TRP A 15 -6.353 14.620 3.877 1.00 54.13 O ATOM 232 CB TRP A 15 -8.254 15.456 1.034 1.00 32.52 C ATOM 233 CG TRP A 15 -9.438 14.817 0.373 1.00 52.51 C ATOM 234 CD1 TRP A 15 -10.012 13.622 0.697 1.00 34.53 C ATOM 235 CD2 TRP A 15 -10.191 15.341 -0.727 1.00 10.14 C ATOM 236 NE1 TRP A 15 -11.077 13.370 -0.135 1.00 2.15 N ATOM 237 CE2 TRP A 15 -11.208 14.410 -1.016 1.00 42.22 C ATOM 238 CE3 TRP A 15 -10.107 16.506 -1.493 1.00 44.33 C ATOM 239 CZ2 TRP A 15 -12.130 14.610 -2.040 1.00 11.11 C ATOM 240 CZ3 TRP A 15 -11.023 16.703 -2.509 1.00 45.11 C ATOM 241 CH2 TRP A 15 -12.024 15.760 -2.775 1.00 21.43 C ATOM 0 H TRP A 15 -7.281 16.644 3.827 1.00 3.22 H new ATOM 0 HA TRP A 15 -9.194 14.855 2.871 1.00 71.20 H new ATOM 0 HB2 TRP A 15 -8.244 16.520 0.796 1.00 32.52 H new ATOM 0 HB3 TRP A 15 -7.341 15.028 0.620 1.00 32.52 H new ATOM 0 HD1 TRP A 15 -9.678 12.970 1.491 1.00 34.53 H new ATOM 0 HE1 TRP A 15 -11.673 12.543 -0.101 1.00 2.15 H new ATOM 0 HE3 TRP A 15 -9.340 17.240 -1.295 1.00 44.33 H new ATOM 0 HZ2 TRP A 15 -12.902 13.883 -2.247 1.00 11.11 H new ATOM 0 HZ3 TRP A 15 -10.966 17.600 -3.108 1.00 45.11 H new ATOM 0 HH2 TRP A 15 -12.726 15.944 -3.575 1.00 21.43 H new ATOM 252 N ASP A 16 -7.043 13.195 2.279 1.00 73.51 N ATOM 253 CA ASP A 16 -6.018 12.199 2.570 1.00 1.31 C ATOM 254 C ASP A 16 -5.683 11.384 1.325 1.00 32.41 C ATOM 255 O ASP A 16 -6.375 10.420 0.998 1.00 52.22 O ATOM 256 CB ASP A 16 -6.482 11.271 3.693 1.00 13.15 C ATOM 257 CG ASP A 16 -7.862 10.698 3.437 1.00 31.54 C ATOM 258 OD1 ASP A 16 -8.855 11.424 3.649 1.00 0.33 O ATOM 259 OD2 ASP A 16 -7.949 9.521 3.026 1.00 51.41 O ATOM 0 H ASP A 16 -7.674 12.940 1.519 1.00 73.51 H new ATOM 0 HA ASP A 16 -5.118 12.723 2.892 1.00 1.31 H new ATOM 0 HB2 ASP A 16 -5.768 10.455 3.805 1.00 13.15 H new ATOM 0 HB3 ASP A 16 -6.489 11.820 4.635 1.00 13.15 H new ATOM 264 N ALA A 17 -4.618 11.777 0.635 1.00 51.44 N ATOM 265 CA ALA A 17 -4.191 11.083 -0.573 1.00 73.55 C ATOM 266 C ALA A 17 -2.924 10.272 -0.322 1.00 35.21 C ATOM 267 O ALA A 17 -2.174 10.525 0.621 1.00 63.53 O ATOM 268 CB ALA A 17 -3.968 12.077 -1.703 1.00 72.23 C ATOM 0 H ALA A 17 -4.035 12.573 0.892 1.00 51.44 H new ATOM 0 HA ALA A 17 -4.982 10.392 -0.863 1.00 73.55 H new ATOM 0 HB1 ALA A 17 -3.649 11.544 -2.599 1.00 72.23 H new ATOM 0 HB2 ALA A 17 -4.897 12.609 -1.908 1.00 72.23 H new ATOM 0 HB3 ALA A 17 -3.198 12.791 -1.413 1.00 72.23 H new ATOM 274 N PRO A 18 -2.679 9.273 -1.183 1.00 14.00 N ATOM 275 CA PRO A 18 -1.503 8.405 -1.074 1.00 74.31 C ATOM 276 C PRO A 18 -0.208 9.139 -1.405 1.00 33.43 C ATOM 277 O PRO A 18 -0.228 10.300 -1.811 1.00 13.14 O ATOM 278 CB PRO A 18 -1.775 7.308 -2.107 1.00 13.20 C ATOM 279 CG PRO A 18 -2.684 7.943 -3.103 1.00 21.43 C ATOM 280 CD PRO A 18 -3.531 8.915 -2.330 1.00 32.15 C ATOM 0 HA PRO A 18 -1.366 8.030 -0.060 1.00 74.31 H new ATOM 0 HB2 PRO A 18 -0.851 6.967 -2.575 1.00 13.20 H new ATOM 0 HB3 PRO A 18 -2.240 6.436 -1.646 1.00 13.20 H new ATOM 0 HG2 PRO A 18 -2.115 8.453 -3.880 1.00 21.43 H new ATOM 0 HG3 PRO A 18 -3.303 7.195 -3.599 1.00 21.43 H new ATOM 0 HD2 PRO A 18 -3.787 9.789 -2.929 1.00 32.15 H new ATOM 0 HD3 PRO A 18 -4.469 8.463 -2.008 1.00 32.15 H new ATOM 288 N ALA A 19 0.917 8.453 -1.229 1.00 35.04 N ATOM 289 CA ALA A 19 2.221 9.039 -1.511 1.00 12.42 C ATOM 290 C ALA A 19 3.339 8.028 -1.282 1.00 74.32 C ATOM 291 O ALA A 19 3.102 6.933 -0.772 1.00 2.43 O ATOM 292 CB ALA A 19 2.441 10.275 -0.651 1.00 51.32 C ATOM 0 H ALA A 19 0.951 7.491 -0.892 1.00 35.04 H new ATOM 0 HA ALA A 19 2.241 9.331 -2.561 1.00 12.42 H new ATOM 0 HB1 ALA A 19 3.419 10.703 -0.872 1.00 51.32 H new ATOM 0 HB2 ALA A 19 1.666 11.011 -0.866 1.00 51.32 H new ATOM 0 HB3 ALA A 19 2.396 9.998 0.402 1.00 51.32 H new ATOM 298 N GLU A 20 4.556 8.401 -1.664 1.00 51.33 N ATOM 299 CA GLU A 20 5.710 7.524 -1.502 1.00 14.44 C ATOM 300 C GLU A 20 6.748 8.157 -0.579 1.00 72.40 C ATOM 301 O GLU A 20 7.492 7.456 0.106 1.00 12.03 O ATOM 302 CB GLU A 20 6.340 7.216 -2.861 1.00 52.45 C ATOM 303 CG GLU A 20 6.341 5.738 -3.211 1.00 30.31 C ATOM 304 CD GLU A 20 7.557 5.330 -4.020 1.00 50.52 C ATOM 305 OE1 GLU A 20 7.662 5.759 -5.189 1.00 32.23 O ATOM 306 OE2 GLU A 20 8.403 4.584 -3.486 1.00 21.22 O ATOM 0 H GLU A 20 4.769 9.304 -2.088 1.00 51.33 H new ATOM 0 HA GLU A 20 5.366 6.593 -1.051 1.00 14.44 H new ATOM 0 HB2 GLU A 20 5.801 7.763 -3.634 1.00 52.45 H new ATOM 0 HB3 GLU A 20 7.366 7.583 -2.868 1.00 52.45 H new ATOM 0 HG2 GLU A 20 6.307 5.151 -2.293 1.00 30.31 H new ATOM 0 HG3 GLU A 20 5.438 5.501 -3.775 1.00 30.31 H new ATOM 313 N GLU A 21 6.791 9.485 -0.569 1.00 11.22 N ATOM 314 CA GLU A 21 7.739 10.212 0.268 1.00 34.42 C ATOM 315 C GLU A 21 7.505 11.717 0.174 1.00 65.33 C ATOM 316 O GLU A 21 7.374 12.269 -0.919 1.00 35.42 O ATOM 317 CB GLU A 21 9.175 9.880 -0.143 1.00 53.11 C ATOM 318 CG GLU A 21 10.219 10.751 0.535 1.00 14.05 C ATOM 319 CD GLU A 21 11.636 10.318 0.217 1.00 63.32 C ATOM 320 OE1 GLU A 21 11.882 9.893 -0.932 1.00 21.54 O ATOM 321 OE2 GLU A 21 12.500 10.403 1.115 1.00 55.41 O ATOM 0 H GLU A 21 6.181 10.079 -1.130 1.00 11.22 H new ATOM 0 HA GLU A 21 7.584 9.902 1.302 1.00 34.42 H new ATOM 0 HB2 GLU A 21 9.378 8.835 0.091 1.00 53.11 H new ATOM 0 HB3 GLU A 21 9.269 9.989 -1.223 1.00 53.11 H new ATOM 0 HG2 GLU A 21 10.081 11.786 0.223 1.00 14.05 H new ATOM 0 HG3 GLU A 21 10.067 10.720 1.614 1.00 14.05 H new ATOM 328 N VAL A 22 7.455 12.375 1.327 1.00 3.43 N ATOM 329 CA VAL A 22 7.239 13.816 1.376 1.00 13.40 C ATOM 330 C VAL A 22 8.451 14.535 1.958 1.00 50.04 C ATOM 331 O VAL A 22 8.872 14.254 3.080 1.00 2.00 O ATOM 332 CB VAL A 22 5.996 14.169 2.214 1.00 14.14 C ATOM 333 CG1 VAL A 22 4.724 13.833 1.451 1.00 34.10 C ATOM 334 CG2 VAL A 22 6.032 13.444 3.551 1.00 2.44 C ATOM 0 H VAL A 22 7.561 11.933 2.240 1.00 3.43 H new ATOM 0 HA VAL A 22 7.083 14.147 0.349 1.00 13.40 H new ATOM 0 HB VAL A 22 6.002 15.242 2.407 1.00 14.14 H new ATOM 0 HG11 VAL A 22 3.856 14.089 2.059 1.00 34.10 H new ATOM 0 HG12 VAL A 22 4.696 14.402 0.521 1.00 34.10 H new ATOM 0 HG13 VAL A 22 4.706 12.767 1.225 1.00 34.10 H new ATOM 0 HG21 VAL A 22 5.146 13.705 4.130 1.00 2.44 H new ATOM 0 HG22 VAL A 22 6.050 12.368 3.381 1.00 2.44 H new ATOM 0 HG23 VAL A 22 6.925 13.739 4.101 1.00 2.44 H new ATOM 344 N ILE A 23 9.007 15.464 1.187 1.00 22.40 N ATOM 345 CA ILE A 23 10.170 16.224 1.627 1.00 65.13 C ATOM 346 C ILE A 23 9.833 17.703 1.783 1.00 25.12 C ATOM 347 O ILE A 23 9.321 18.336 0.859 1.00 62.53 O ATOM 348 CB ILE A 23 11.344 16.078 0.640 1.00 1.01 C ATOM 349 CG1 ILE A 23 10.872 16.345 -0.791 1.00 23.33 C ATOM 350 CG2 ILE A 23 11.960 14.691 0.751 1.00 52.22 C ATOM 351 CD1 ILE A 23 11.742 17.329 -1.540 1.00 45.23 C ATOM 0 H ILE A 23 8.671 15.708 0.255 1.00 22.40 H new ATOM 0 HA ILE A 23 10.466 15.817 2.594 1.00 65.13 H new ATOM 0 HB ILE A 23 12.107 16.814 0.894 1.00 1.01 H new ATOM 0 HG12 ILE A 23 10.848 15.403 -1.339 1.00 23.33 H new ATOM 0 HG13 ILE A 23 9.850 16.723 -0.763 1.00 23.33 H new ATOM 0 HG21 ILE A 23 12.788 14.603 0.048 1.00 52.22 H new ATOM 0 HG22 ILE A 23 12.328 14.536 1.765 1.00 52.22 H new ATOM 0 HG23 ILE A 23 11.206 13.938 0.520 1.00 52.22 H new ATOM 0 HD11 ILE A 23 11.348 17.470 -2.547 1.00 45.23 H new ATOM 0 HD12 ILE A 23 11.746 18.284 -1.015 1.00 45.23 H new ATOM 0 HD13 ILE A 23 12.760 16.943 -1.599 1.00 45.23 H new ATOM 363 N LEU A 24 10.126 18.249 2.958 1.00 13.32 N ATOM 364 CA LEU A 24 9.856 19.656 3.236 1.00 33.33 C ATOM 365 C LEU A 24 10.801 20.190 4.307 1.00 3.41 C ATOM 366 O LEU A 24 11.393 19.437 5.080 1.00 63.52 O ATOM 367 CB LEU A 24 8.404 19.838 3.684 1.00 25.12 C ATOM 368 CG LEU A 24 7.826 18.723 4.557 1.00 44.22 C ATOM 369 CD1 LEU A 24 7.472 17.511 3.709 1.00 13.43 C ATOM 370 CD2 LEU A 24 8.810 18.340 5.653 1.00 14.23 C ATOM 0 H LEU A 24 10.550 17.740 3.733 1.00 13.32 H new ATOM 0 HA LEU A 24 10.020 20.221 2.318 1.00 33.33 H new ATOM 0 HB2 LEU A 24 8.329 20.777 4.232 1.00 25.12 H new ATOM 0 HB3 LEU A 24 7.780 19.937 2.796 1.00 25.12 H new ATOM 0 HG LEU A 24 6.914 19.091 5.027 1.00 44.22 H new ATOM 0 HD11 LEU A 24 7.062 16.728 4.347 1.00 13.43 H new ATOM 0 HD12 LEU A 24 6.732 17.794 2.961 1.00 13.43 H new ATOM 0 HD13 LEU A 24 8.368 17.141 3.211 1.00 13.43 H new ATOM 0 HD21 LEU A 24 8.382 17.545 6.265 1.00 14.23 H new ATOM 0 HD22 LEU A 24 9.739 17.991 5.202 1.00 14.23 H new ATOM 0 HD23 LEU A 24 9.014 19.209 6.278 1.00 14.23 H new ATOM 382 N PRO A 25 10.946 21.523 4.357 1.00 23.10 N ATOM 383 CA PRO A 25 11.817 22.188 5.331 1.00 55.50 C ATOM 384 C PRO A 25 11.273 22.096 6.753 1.00 54.25 C ATOM 385 O PRO A 25 10.128 22.465 7.014 1.00 33.54 O ATOM 386 CB PRO A 25 11.831 23.644 4.857 1.00 12.04 C ATOM 387 CG PRO A 25 10.553 23.812 4.111 1.00 73.14 C ATOM 388 CD PRO A 25 10.271 22.482 3.467 1.00 45.31 C ATOM 0 HA PRO A 25 12.805 21.730 5.375 1.00 55.50 H new ATOM 0 HB2 PRO A 25 11.892 24.334 5.699 1.00 12.04 H new ATOM 0 HB3 PRO A 25 12.691 23.844 4.218 1.00 12.04 H new ATOM 0 HG2 PRO A 25 9.744 24.100 4.783 1.00 73.14 H new ATOM 0 HG3 PRO A 25 10.639 24.598 3.361 1.00 73.14 H new ATOM 0 HD2 PRO A 25 9.201 22.286 3.402 1.00 45.31 H new ATOM 0 HD3 PRO A 25 10.666 22.435 2.452 1.00 45.31 H new ATOM 396 N SER A 26 12.101 21.603 7.667 1.00 21.53 N ATOM 397 CA SER A 26 11.701 21.459 9.062 1.00 25.13 C ATOM 398 C SER A 26 12.701 22.147 9.987 1.00 13.13 C ATOM 399 O SER A 26 13.584 22.877 9.535 1.00 15.00 O ATOM 400 CB SER A 26 11.583 19.979 9.431 1.00 25.22 C ATOM 401 OG SER A 26 12.838 19.328 9.335 1.00 63.54 O ATOM 0 H SER A 26 13.053 21.296 7.467 1.00 21.53 H new ATOM 0 HA SER A 26 10.729 21.936 9.187 1.00 25.13 H new ATOM 0 HB2 SER A 26 11.197 19.884 10.446 1.00 25.22 H new ATOM 0 HB3 SER A 26 10.866 19.492 8.770 1.00 25.22 H new ATOM 0 HG SER A 26 13.323 19.427 10.181 1.00 63.54 H new ATOM 407 N THR A 27 12.555 21.909 11.287 1.00 3.32 N ATOM 408 CA THR A 27 13.443 22.506 12.277 1.00 12.03 C ATOM 409 C THR A 27 14.905 22.315 11.891 1.00 20.12 C ATOM 410 O THR A 27 15.645 23.284 11.719 1.00 52.23 O ATOM 411 CB THR A 27 13.210 21.904 13.676 1.00 60.22 C ATOM 412 OG1 THR A 27 12.085 21.019 13.647 1.00 15.01 O ATOM 413 CG2 THR A 27 12.974 23.000 14.704 1.00 30.54 C ATOM 0 H THR A 27 11.830 21.307 11.678 1.00 3.32 H new ATOM 0 HA THR A 27 13.214 23.571 12.305 1.00 12.03 H new ATOM 0 HB THR A 27 14.102 21.347 13.961 1.00 60.22 H new ATOM 0 HG1 THR A 27 11.945 20.639 14.539 1.00 15.01 H new ATOM 0 HG21 THR A 27 12.812 22.551 15.684 1.00 30.54 H new ATOM 0 HG22 THR A 27 13.845 23.655 14.744 1.00 30.54 H new ATOM 0 HG23 THR A 27 12.096 23.581 14.421 1.00 30.54 H new ATOM 421 N THR A 28 15.317 21.058 11.756 1.00 42.22 N ATOM 422 CA THR A 28 16.692 20.740 11.390 1.00 34.22 C ATOM 423 C THR A 28 17.015 21.232 9.984 1.00 75.31 C ATOM 424 O THR A 28 18.179 21.305 9.593 1.00 32.34 O ATOM 425 CB THR A 28 16.956 19.224 11.465 1.00 2.20 C ATOM 426 OG1 THR A 28 15.715 18.510 11.476 1.00 0.23 O ATOM 427 CG2 THR A 28 17.759 18.876 12.709 1.00 32.25 C ATOM 0 H THR A 28 14.718 20.244 11.895 1.00 42.22 H new ATOM 0 HA THR A 28 17.336 21.250 12.106 1.00 34.22 H new ATOM 0 HB THR A 28 17.533 18.934 10.587 1.00 2.20 H new ATOM 0 HG1 THR A 28 15.344 18.513 12.383 1.00 0.23 H new ATOM 0 HG21 THR A 28 17.933 17.800 12.741 1.00 32.25 H new ATOM 0 HG22 THR A 28 18.716 19.398 12.682 1.00 32.25 H new ATOM 0 HG23 THR A 28 17.204 19.180 13.597 1.00 32.25 H new ATOM 435 N GLY A 29 15.975 21.569 9.226 1.00 0.15 N ATOM 436 CA GLY A 29 16.170 22.051 7.871 1.00 32.44 C ATOM 437 C GLY A 29 15.649 21.079 6.831 1.00 44.34 C ATOM 438 O GLY A 29 14.970 21.479 5.886 1.00 73.34 O ATOM 0 H GLY A 29 15.002 21.517 9.526 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.665 23.010 7.753 1.00 32.44 H new ATOM 0 HA3 GLY A 29 17.232 22.227 7.700 1.00 32.44 H new ATOM 442 N GLN A 30 15.971 19.801 7.003 1.00 15.22 N ATOM 443 CA GLN A 30 15.532 18.771 6.069 1.00 42.01 C ATOM 444 C GLN A 30 14.700 17.709 6.780 1.00 11.44 C ATOM 445 O GLN A 30 15.092 17.199 7.831 1.00 52.02 O ATOM 446 CB GLN A 30 16.739 18.120 5.391 1.00 4.24 C ATOM 447 CG GLN A 30 16.693 18.184 3.873 1.00 11.23 C ATOM 448 CD GLN A 30 17.798 17.378 3.221 1.00 24.31 C ATOM 449 OE1 GLN A 30 17.922 16.174 3.450 1.00 42.15 O ATOM 450 NE2 GLN A 30 18.610 18.038 2.403 1.00 14.10 N ATOM 0 H GLN A 30 16.534 19.454 7.780 1.00 15.22 H new ATOM 0 HA GLN A 30 14.910 19.246 5.311 1.00 42.01 H new ATOM 0 HB2 GLN A 30 17.648 18.609 5.739 1.00 4.24 H new ATOM 0 HB3 GLN A 30 16.800 17.077 5.701 1.00 4.24 H new ATOM 0 HG2 GLN A 30 15.727 17.816 3.527 1.00 11.23 H new ATOM 0 HG3 GLN A 30 16.770 19.224 3.555 1.00 11.23 H new ATOM 0 HE21 GLN A 30 18.471 19.036 2.242 1.00 14.10 H new ATOM 0 HE22 GLN A 30 19.373 17.547 1.936 1.00 14.10 H new ATOM 459 N LEU A 31 13.550 17.381 6.202 1.00 13.25 N ATOM 460 CA LEU A 31 12.661 16.380 6.781 1.00 31.25 C ATOM 461 C LEU A 31 12.100 15.460 5.702 1.00 63.23 C ATOM 462 O LEU A 31 11.666 15.918 4.646 1.00 73.32 O ATOM 463 CB LEU A 31 11.515 17.060 7.533 1.00 23.33 C ATOM 464 CG LEU A 31 11.171 16.475 8.904 1.00 63.04 C ATOM 465 CD1 LEU A 31 10.650 15.053 8.762 1.00 41.43 C ATOM 466 CD2 LEU A 31 12.386 16.511 9.819 1.00 64.40 C ATOM 0 H LEU A 31 13.211 17.794 5.333 1.00 13.25 H new ATOM 0 HA LEU A 31 13.240 15.778 7.481 1.00 31.25 H new ATOM 0 HB2 LEU A 31 11.766 18.113 7.662 1.00 23.33 H new ATOM 0 HB3 LEU A 31 10.623 17.019 6.909 1.00 23.33 H new ATOM 0 HG LEU A 31 10.386 17.085 9.351 1.00 63.04 H new ATOM 0 HD11 LEU A 31 10.411 14.653 9.747 1.00 41.43 H new ATOM 0 HD12 LEU A 31 9.753 15.054 8.143 1.00 41.43 H new ATOM 0 HD13 LEU A 31 11.413 14.431 8.294 1.00 41.43 H new ATOM 0 HD21 LEU A 31 12.123 16.091 10.790 1.00 64.40 H new ATOM 0 HD22 LEU A 31 13.192 15.926 9.377 1.00 64.40 H new ATOM 0 HD23 LEU A 31 12.715 17.542 9.947 1.00 64.40 H new ATOM 478 N GLY A 32 12.112 14.159 5.975 1.00 32.43 N ATOM 479 CA GLY A 32 11.600 13.195 5.019 1.00 62.24 C ATOM 480 C GLY A 32 10.776 12.106 5.677 1.00 63.23 C ATOM 481 O GLY A 32 11.307 11.281 6.421 1.00 2.34 O ATOM 0 H GLY A 32 12.467 13.755 6.842 1.00 32.43 H new ATOM 0 HA2 GLY A 32 10.989 13.712 4.279 1.00 62.24 H new ATOM 0 HA3 GLY A 32 12.434 12.742 4.483 1.00 62.24 H new ATOM 485 N ILE A 33 9.476 12.103 5.403 1.00 0.14 N ATOM 486 CA ILE A 33 8.578 11.108 5.975 1.00 31.42 C ATOM 487 C ILE A 33 8.186 10.061 4.938 1.00 21.51 C ATOM 488 O ILE A 33 7.710 10.394 3.852 1.00 13.12 O ATOM 489 CB ILE A 33 7.301 11.759 6.538 1.00 30.25 C ATOM 490 CG1 ILE A 33 7.659 12.791 7.610 1.00 73.11 C ATOM 491 CG2 ILE A 33 6.372 10.697 7.107 1.00 13.04 C ATOM 492 CD1 ILE A 33 6.532 13.749 7.926 1.00 35.24 C ATOM 0 H ILE A 33 9.021 12.778 4.789 1.00 0.14 H new ATOM 0 HA ILE A 33 9.119 10.626 6.789 1.00 31.42 H new ATOM 0 HB ILE A 33 6.783 12.270 5.727 1.00 30.25 H new ATOM 0 HG12 ILE A 33 7.949 12.270 8.522 1.00 73.11 H new ATOM 0 HG13 ILE A 33 8.527 13.361 7.279 1.00 73.11 H new ATOM 0 HG21 ILE A 33 5.474 11.173 7.501 1.00 13.04 H new ATOM 0 HG22 ILE A 33 6.096 9.996 6.320 1.00 13.04 H new ATOM 0 HG23 ILE A 33 6.880 10.161 7.908 1.00 13.04 H new ATOM 0 HD11 ILE A 33 6.856 14.452 8.694 1.00 35.24 H new ATOM 0 HD12 ILE A 33 6.257 14.297 7.025 1.00 35.24 H new ATOM 0 HD13 ILE A 33 5.669 13.189 8.288 1.00 35.24 H new ATOM 504 N LEU A 34 8.388 8.793 5.280 1.00 60.10 N ATOM 505 CA LEU A 34 8.054 7.695 4.379 1.00 20.03 C ATOM 506 C LEU A 34 7.002 6.782 5.001 1.00 64.53 C ATOM 507 O LEU A 34 6.553 7.010 6.124 1.00 60.32 O ATOM 508 CB LEU A 34 9.309 6.889 4.038 1.00 12.25 C ATOM 509 CG LEU A 34 9.811 7.007 2.599 1.00 25.51 C ATOM 510 CD1 LEU A 34 11.222 7.575 2.571 1.00 54.21 C ATOM 511 CD2 LEU A 34 9.767 5.652 1.906 1.00 14.35 C ATOM 0 H LEU A 34 8.781 8.500 6.174 1.00 60.10 H new ATOM 0 HA LEU A 34 7.644 8.120 3.463 1.00 20.03 H new ATOM 0 HB2 LEU A 34 10.110 7.201 4.708 1.00 12.25 H new ATOM 0 HB3 LEU A 34 9.110 5.838 4.247 1.00 12.25 H new ATOM 0 HG LEU A 34 9.155 7.691 2.060 1.00 25.51 H new ATOM 0 HD11 LEU A 34 11.563 7.652 1.539 1.00 54.21 H new ATOM 0 HD12 LEU A 34 11.225 8.564 3.029 1.00 54.21 H new ATOM 0 HD13 LEU A 34 11.890 6.916 3.126 1.00 54.21 H new ATOM 0 HD21 LEU A 34 10.128 5.755 0.883 1.00 14.35 H new ATOM 0 HD22 LEU A 34 10.400 4.947 2.445 1.00 14.35 H new ATOM 0 HD23 LEU A 34 8.742 5.283 1.894 1.00 14.35 H new ATOM 523 N SER A 35 6.616 5.745 4.263 1.00 12.34 N ATOM 524 CA SER A 35 5.616 4.798 4.741 1.00 31.34 C ATOM 525 C SER A 35 6.151 3.993 5.922 1.00 14.23 C ATOM 526 O SER A 35 5.465 3.818 6.929 1.00 65.11 O ATOM 527 CB SER A 35 5.198 3.853 3.613 1.00 32.43 C ATOM 528 OG SER A 35 5.786 4.236 2.382 1.00 25.25 O ATOM 0 H SER A 35 6.981 5.540 3.333 1.00 12.34 H new ATOM 0 HA SER A 35 4.745 5.363 5.073 1.00 31.34 H new ATOM 0 HB2 SER A 35 5.495 2.834 3.860 1.00 32.43 H new ATOM 0 HB3 SER A 35 4.112 3.854 3.517 1.00 32.43 H new ATOM 0 HG SER A 35 5.467 3.644 1.669 1.00 25.25 H new ATOM 534 N ASN A 36 7.380 3.506 5.790 1.00 1.11 N ATOM 535 CA ASN A 36 8.008 2.719 6.845 1.00 1.23 C ATOM 536 C ASN A 36 8.221 3.562 8.099 1.00 41.21 C ATOM 537 O ASN A 36 8.434 3.030 9.189 1.00 44.40 O ATOM 538 CB ASN A 36 9.346 2.156 6.362 1.00 22.15 C ATOM 539 CG ASN A 36 9.294 0.658 6.134 1.00 21.42 C ATOM 540 OD1 ASN A 36 10.080 -0.097 6.707 1.00 5.53 O ATOM 541 ND2 ASN A 36 8.365 0.219 5.293 1.00 54.40 N ATOM 0 H ASN A 36 7.961 3.642 4.963 1.00 1.11 H new ATOM 0 HA ASN A 36 7.342 1.893 7.093 1.00 1.23 H new ATOM 0 HB2 ASN A 36 9.632 2.652 5.435 1.00 22.15 H new ATOM 0 HB3 ASN A 36 10.119 2.382 7.097 1.00 22.15 H new ATOM 0 HD21 ASN A 36 8.282 -0.779 5.100 1.00 54.40 H new ATOM 0 HD22 ASN A 36 7.734 0.880 4.840 1.00 54.40 H new ATOM 548 N HIS A 37 8.161 4.880 7.937 1.00 42.25 N ATOM 549 CA HIS A 37 8.346 5.798 9.055 1.00 22.43 C ATOM 550 C HIS A 37 7.462 5.402 10.234 1.00 25.33 C ATOM 551 O HIS A 37 6.236 5.410 10.133 1.00 1.34 O ATOM 552 CB HIS A 37 8.031 7.230 8.625 1.00 52.41 C ATOM 553 CG HIS A 37 8.775 8.268 9.407 1.00 1.32 C ATOM 554 ND1 HIS A 37 9.657 9.157 8.830 1.00 63.03 N ATOM 555 CD2 HIS A 37 8.763 8.558 10.729 1.00 24.34 C ATOM 556 CE1 HIS A 37 10.157 9.947 9.763 1.00 63.10 C ATOM 557 NE2 HIS A 37 9.631 9.604 10.925 1.00 53.32 N ATOM 0 H HIS A 37 7.986 5.336 7.042 1.00 42.25 H new ATOM 0 HA HIS A 37 9.388 5.743 9.370 1.00 22.43 H new ATOM 0 HB2 HIS A 37 8.269 7.344 7.567 1.00 52.41 H new ATOM 0 HB3 HIS A 37 6.960 7.405 8.731 1.00 52.41 H new ATOM 0 HD2 HIS A 37 8.179 8.059 11.489 1.00 24.34 H new ATOM 0 HE1 HIS A 37 10.874 10.739 9.603 1.00 63.10 H new ATOM 0 HE2 HIS A 37 9.836 10.044 11.822 1.00 53.32 H new ATOM 565 N ALA A 38 8.094 5.055 11.351 1.00 62.41 N ATOM 566 CA ALA A 38 7.365 4.657 12.549 1.00 64.11 C ATOM 567 C ALA A 38 6.417 5.760 13.006 1.00 0.11 C ATOM 568 O ALA A 38 6.513 6.911 12.579 1.00 21.12 O ATOM 569 CB ALA A 38 8.337 4.298 13.663 1.00 4.43 C ATOM 0 H ALA A 38 9.109 5.042 11.451 1.00 62.41 H new ATOM 0 HA ALA A 38 6.768 3.778 12.306 1.00 64.11 H new ATOM 0 HB1 ALA A 38 7.779 4.003 14.552 1.00 4.43 H new ATOM 0 HB2 ALA A 38 8.970 3.471 13.341 1.00 4.43 H new ATOM 0 HB3 ALA A 38 8.959 5.162 13.896 1.00 4.43 H new ATOM 575 N PRO A 39 5.478 5.403 13.895 1.00 53.44 N ATOM 576 CA PRO A 39 4.493 6.349 14.429 1.00 44.33 C ATOM 577 C PRO A 39 5.124 7.378 15.361 1.00 23.31 C ATOM 578 O PRO A 39 5.424 7.080 16.518 1.00 3.32 O ATOM 579 CB PRO A 39 3.522 5.452 15.200 1.00 1.55 C ATOM 580 CG PRO A 39 4.326 4.253 15.570 1.00 54.54 C ATOM 581 CD PRO A 39 5.305 4.049 14.447 1.00 54.32 C ATOM 0 HA PRO A 39 4.019 6.934 13.640 1.00 44.33 H new ATOM 0 HB2 PRO A 39 3.134 5.957 16.085 1.00 1.55 H new ATOM 0 HB3 PRO A 39 2.663 5.179 14.587 1.00 1.55 H new ATOM 0 HG2 PRO A 39 4.844 4.407 16.516 1.00 54.54 H new ATOM 0 HG3 PRO A 39 3.688 3.378 15.695 1.00 54.54 H new ATOM 0 HD2 PRO A 39 6.248 3.638 14.806 1.00 54.32 H new ATOM 0 HD3 PRO A 39 4.920 3.356 13.699 1.00 54.32 H new ATOM 589 N LEU A 40 5.323 8.588 14.851 1.00 12.24 N ATOM 590 CA LEU A 40 5.918 9.662 15.639 1.00 0.04 C ATOM 591 C LEU A 40 5.378 11.021 15.204 1.00 62.40 C ATOM 592 O LEU A 40 4.996 11.207 14.048 1.00 14.21 O ATOM 593 CB LEU A 40 7.441 9.638 15.502 1.00 23.00 C ATOM 594 CG LEU A 40 8.210 10.626 16.380 1.00 41.33 C ATOM 595 CD1 LEU A 40 9.349 9.924 17.103 1.00 14.12 C ATOM 596 CD2 LEU A 40 8.739 11.782 15.543 1.00 5.25 C ATOM 0 H LEU A 40 5.081 8.850 13.895 1.00 12.24 H new ATOM 0 HA LEU A 40 5.651 9.503 16.684 1.00 0.04 H new ATOM 0 HB2 LEU A 40 7.790 8.631 15.731 1.00 23.00 H new ATOM 0 HB3 LEU A 40 7.695 9.834 14.460 1.00 23.00 H new ATOM 0 HG LEU A 40 7.526 11.027 17.128 1.00 41.33 H new ATOM 0 HD11 LEU A 40 9.885 10.643 17.723 1.00 14.12 H new ATOM 0 HD12 LEU A 40 8.946 9.131 17.733 1.00 14.12 H new ATOM 0 HD13 LEU A 40 10.034 9.494 16.372 1.00 14.12 H new ATOM 0 HD21 LEU A 40 9.284 12.476 16.184 1.00 5.25 H new ATOM 0 HD22 LEU A 40 9.408 11.397 14.773 1.00 5.25 H new ATOM 0 HD23 LEU A 40 7.905 12.302 15.072 1.00 5.25 H new ATOM 608 N LEU A 41 5.352 11.967 16.136 1.00 51.03 N ATOM 609 CA LEU A 41 4.861 13.310 15.848 1.00 1.41 C ATOM 610 C LEU A 41 6.017 14.298 15.724 1.00 23.44 C ATOM 611 O LEU A 41 7.059 14.135 16.361 1.00 32.41 O ATOM 612 CB LEU A 41 3.899 13.769 16.945 1.00 1.05 C ATOM 613 CG LEU A 41 4.407 13.636 18.382 1.00 52.13 C ATOM 614 CD1 LEU A 41 4.209 14.939 19.141 1.00 54.04 C ATOM 615 CD2 LEU A 41 3.702 12.490 19.093 1.00 51.14 C ATOM 0 H LEU A 41 5.665 11.829 17.097 1.00 51.03 H new ATOM 0 HA LEU A 41 4.330 13.279 14.897 1.00 1.41 H new ATOM 0 HB2 LEU A 41 3.647 14.814 16.765 1.00 1.05 H new ATOM 0 HB3 LEU A 41 2.975 13.198 16.853 1.00 1.05 H new ATOM 0 HG LEU A 41 5.474 13.416 18.351 1.00 52.13 H new ATOM 0 HD11 LEU A 41 4.576 14.825 20.161 1.00 54.04 H new ATOM 0 HD12 LEU A 41 4.760 15.737 18.644 1.00 54.04 H new ATOM 0 HD13 LEU A 41 3.148 15.190 19.163 1.00 54.04 H new ATOM 0 HD21 LEU A 41 4.076 12.410 20.114 1.00 51.14 H new ATOM 0 HD22 LEU A 41 2.629 12.680 19.113 1.00 51.14 H new ATOM 0 HD23 LEU A 41 3.896 11.558 18.562 1.00 51.14 H new ATOM 627 N THR A 42 5.827 15.324 14.902 1.00 54.43 N ATOM 628 CA THR A 42 6.852 16.339 14.695 1.00 23.10 C ATOM 629 C THR A 42 6.230 17.710 14.458 1.00 73.02 C ATOM 630 O THR A 42 5.011 17.838 14.346 1.00 71.41 O ATOM 631 CB THR A 42 7.759 15.986 13.501 1.00 22.10 C ATOM 632 OG1 THR A 42 7.006 15.288 12.503 1.00 54.40 O ATOM 633 CG2 THR A 42 8.934 15.129 13.948 1.00 34.43 C ATOM 0 H THR A 42 4.971 15.474 14.368 1.00 54.43 H new ATOM 0 HA THR A 42 7.454 16.369 15.603 1.00 23.10 H new ATOM 0 HB THR A 42 8.146 16.914 13.081 1.00 22.10 H new ATOM 0 HG1 THR A 42 7.589 15.069 11.747 1.00 54.40 H new ATOM 0 HG21 THR A 42 9.560 14.893 13.088 1.00 34.43 H new ATOM 0 HG22 THR A 42 9.522 15.674 14.686 1.00 34.43 H new ATOM 0 HG23 THR A 42 8.563 14.205 14.391 1.00 34.43 H new ATOM 641 N ALA A 43 7.074 18.733 14.381 1.00 4.12 N ATOM 642 CA ALA A 43 6.606 20.095 14.154 1.00 25.32 C ATOM 643 C ALA A 43 7.203 20.674 12.876 1.00 2.42 C ATOM 644 O ALA A 43 8.343 20.375 12.519 1.00 24.55 O ATOM 645 CB ALA A 43 6.949 20.976 15.346 1.00 2.21 C ATOM 0 H ALA A 43 8.086 18.645 14.472 1.00 4.12 H new ATOM 0 HA ALA A 43 5.523 20.067 14.037 1.00 25.32 H new ATOM 0 HB1 ALA A 43 6.594 21.990 15.163 1.00 2.21 H new ATOM 0 HB2 ALA A 43 6.470 20.580 16.241 1.00 2.21 H new ATOM 0 HB3 ALA A 43 8.029 20.990 15.489 1.00 2.21 H new ATOM 651 N LEU A 44 6.426 21.505 12.190 1.00 2.20 N ATOM 652 CA LEU A 44 6.878 22.127 10.950 1.00 31.01 C ATOM 653 C LEU A 44 6.414 23.578 10.868 1.00 71.31 C ATOM 654 O LEU A 44 5.403 23.950 11.463 1.00 44.21 O ATOM 655 CB LEU A 44 6.356 21.344 9.744 1.00 25.41 C ATOM 656 CG LEU A 44 7.419 20.711 8.844 1.00 13.13 C ATOM 657 CD1 LEU A 44 7.789 19.325 9.349 1.00 44.20 C ATOM 658 CD2 LEU A 44 6.927 20.643 7.406 1.00 42.03 C ATOM 0 H LEU A 44 5.480 21.764 12.471 1.00 2.20 H new ATOM 0 HA LEU A 44 7.968 22.112 10.941 1.00 31.01 H new ATOM 0 HB2 LEU A 44 5.698 20.554 10.106 1.00 25.41 H new ATOM 0 HB3 LEU A 44 5.747 22.014 9.137 1.00 25.41 H new ATOM 0 HG LEU A 44 8.312 21.336 8.873 1.00 13.13 H new ATOM 0 HD11 LEU A 44 8.546 18.890 8.697 1.00 44.20 H new ATOM 0 HD12 LEU A 44 8.183 19.400 10.362 1.00 44.20 H new ATOM 0 HD13 LEU A 44 6.903 18.690 9.350 1.00 44.20 H new ATOM 0 HD21 LEU A 44 7.695 20.190 6.780 1.00 42.03 H new ATOM 0 HD22 LEU A 44 6.020 20.041 7.360 1.00 42.03 H new ATOM 0 HD23 LEU A 44 6.713 21.650 7.047 1.00 42.03 H new ATOM 670 N GLU A 45 7.158 24.391 10.125 1.00 64.42 N ATOM 671 CA GLU A 45 6.822 25.800 9.964 1.00 15.20 C ATOM 672 C GLU A 45 6.185 26.055 8.601 1.00 51.42 C ATOM 673 O GLU A 45 6.021 25.137 7.797 1.00 71.00 O ATOM 674 CB GLU A 45 8.071 26.668 10.126 1.00 65.21 C ATOM 675 CG GLU A 45 8.608 26.703 11.547 1.00 50.20 C ATOM 676 CD GLU A 45 9.995 27.311 11.632 1.00 33.21 C ATOM 677 OE1 GLU A 45 10.809 27.060 10.719 1.00 73.04 O ATOM 678 OE2 GLU A 45 10.266 28.036 12.611 1.00 1.43 O ATOM 0 H GLU A 45 7.997 24.098 9.625 1.00 64.42 H new ATOM 0 HA GLU A 45 6.102 26.066 10.738 1.00 15.20 H new ATOM 0 HB2 GLU A 45 8.850 26.296 9.461 1.00 65.21 H new ATOM 0 HB3 GLU A 45 7.840 27.685 9.809 1.00 65.21 H new ATOM 0 HG2 GLU A 45 7.925 27.275 12.175 1.00 50.20 H new ATOM 0 HG3 GLU A 45 8.635 25.689 11.946 1.00 50.20 H new ATOM 685 N THR A 46 5.827 27.310 8.347 1.00 51.40 N ATOM 686 CA THR A 46 5.207 27.687 7.083 1.00 13.52 C ATOM 687 C THR A 46 6.028 27.192 5.898 1.00 32.23 C ATOM 688 O THR A 46 7.236 26.990 6.009 1.00 44.40 O ATOM 689 CB THR A 46 5.039 29.215 6.974 1.00 74.34 C ATOM 690 OG1 THR A 46 6.320 29.841 6.849 1.00 3.05 O ATOM 691 CG2 THR A 46 4.314 29.768 8.191 1.00 11.12 C ATOM 0 H THR A 46 5.956 28.083 9.000 1.00 51.40 H new ATOM 0 HA THR A 46 4.224 27.218 7.061 1.00 13.52 H new ATOM 0 HB THR A 46 4.443 29.430 6.087 1.00 74.34 H new ATOM 0 HG1 THR A 46 6.204 30.812 6.779 1.00 3.05 H new ATOM 0 HG21 THR A 46 4.207 30.848 8.091 1.00 11.12 H new ATOM 0 HG22 THR A 46 3.327 29.311 8.265 1.00 11.12 H new ATOM 0 HG23 THR A 46 4.887 29.542 9.090 1.00 11.12 H new ATOM 699 N GLY A 47 5.363 26.997 4.763 1.00 0.33 N ATOM 700 CA GLY A 47 6.048 26.527 3.574 1.00 42.14 C ATOM 701 C GLY A 47 5.250 25.482 2.820 1.00 52.25 C ATOM 702 O GLY A 47 4.252 24.968 3.325 1.00 1.24 O ATOM 0 H GLY A 47 4.362 27.156 4.646 1.00 0.33 H new ATOM 0 HA2 GLY A 47 6.248 27.372 2.915 1.00 42.14 H new ATOM 0 HA3 GLY A 47 7.014 26.108 3.857 1.00 42.14 H new ATOM 706 N VAL A 48 5.688 25.168 1.605 1.00 61.34 N ATOM 707 CA VAL A 48 5.007 24.178 0.779 1.00 61.23 C ATOM 708 C VAL A 48 5.682 22.815 0.885 1.00 2.04 C ATOM 709 O VAL A 48 6.909 22.716 0.876 1.00 12.41 O ATOM 710 CB VAL A 48 4.974 24.608 -0.700 1.00 31.41 C ATOM 711 CG1 VAL A 48 6.382 24.874 -1.211 1.00 33.34 C ATOM 712 CG2 VAL A 48 4.282 23.550 -1.546 1.00 71.24 C ATOM 0 H VAL A 48 6.511 25.585 1.171 1.00 61.34 H new ATOM 0 HA VAL A 48 3.985 24.104 1.152 1.00 61.23 H new ATOM 0 HB VAL A 48 4.404 25.534 -0.779 1.00 31.41 H new ATOM 0 HG11 VAL A 48 6.338 25.176 -2.257 1.00 33.34 H new ATOM 0 HG12 VAL A 48 6.839 25.669 -0.622 1.00 33.34 H new ATOM 0 HG13 VAL A 48 6.979 23.967 -1.120 1.00 33.34 H new ATOM 0 HG21 VAL A 48 4.267 23.870 -2.588 1.00 71.24 H new ATOM 0 HG22 VAL A 48 4.823 22.607 -1.463 1.00 71.24 H new ATOM 0 HG23 VAL A 48 3.259 23.414 -1.194 1.00 71.24 H new ATOM 722 N MET A 49 4.873 21.766 0.986 1.00 35.04 N ATOM 723 CA MET A 49 5.392 20.408 1.093 1.00 21.41 C ATOM 724 C MET A 49 5.420 19.727 -0.272 1.00 43.50 C ATOM 725 O MET A 49 4.462 19.816 -1.040 1.00 31.44 O ATOM 726 CB MET A 49 4.542 19.589 2.066 1.00 21.54 C ATOM 727 CG MET A 49 4.212 20.326 3.354 1.00 52.12 C ATOM 728 SD MET A 49 4.120 19.227 4.780 1.00 31.11 S ATOM 729 CE MET A 49 3.121 17.896 4.118 1.00 71.10 C ATOM 0 H MET A 49 3.855 21.830 0.996 1.00 35.04 H new ATOM 0 HA MET A 49 6.412 20.465 1.472 1.00 21.41 H new ATOM 0 HB2 MET A 49 3.613 19.303 1.572 1.00 21.54 H new ATOM 0 HB3 MET A 49 5.070 18.667 2.310 1.00 21.54 H new ATOM 0 HG2 MET A 49 4.970 21.088 3.536 1.00 52.12 H new ATOM 0 HG3 MET A 49 3.260 20.844 3.238 1.00 52.12 H new ATOM 0 HE1 MET A 49 2.738 17.287 4.937 1.00 71.10 H new ATOM 0 HE2 MET A 49 2.286 18.313 3.555 1.00 71.10 H new ATOM 0 HE3 MET A 49 3.730 17.277 3.459 1.00 71.10 H new ATOM 739 N ARG A 50 6.525 19.050 -0.568 1.00 12.10 N ATOM 740 CA ARG A 50 6.678 18.357 -1.841 1.00 74.33 C ATOM 741 C ARG A 50 6.303 16.884 -1.707 1.00 21.35 C ATOM 742 O ARG A 50 6.982 16.120 -1.021 1.00 24.43 O ATOM 743 CB ARG A 50 8.116 18.484 -2.346 1.00 41.12 C ATOM 744 CG ARG A 50 8.252 19.355 -3.584 1.00 41.23 C ATOM 745 CD ARG A 50 9.525 20.187 -3.543 1.00 73.44 C ATOM 746 NE ARG A 50 9.671 21.023 -4.732 1.00 34.12 N ATOM 747 CZ ARG A 50 10.800 21.638 -5.063 1.00 41.41 C ATOM 748 NH1 ARG A 50 11.877 21.511 -4.300 1.00 13.53 N ATOM 749 NH2 ARG A 50 10.854 22.382 -6.161 1.00 5.35 N ATOM 0 H ARG A 50 7.327 18.967 0.057 1.00 12.10 H new ATOM 0 HA ARG A 50 6.005 18.822 -2.562 1.00 74.33 H new ATOM 0 HB2 ARG A 50 8.736 18.898 -1.551 1.00 41.12 H new ATOM 0 HB3 ARG A 50 8.504 17.490 -2.567 1.00 41.12 H new ATOM 0 HG2 ARG A 50 8.256 18.726 -4.474 1.00 41.23 H new ATOM 0 HG3 ARG A 50 7.388 20.014 -3.663 1.00 41.23 H new ATOM 0 HD2 ARG A 50 9.517 20.819 -2.655 1.00 73.44 H new ATOM 0 HD3 ARG A 50 10.387 19.526 -3.456 1.00 73.44 H new ATOM 0 HE ARG A 50 8.861 21.141 -5.341 1.00 34.12 H new ATOM 0 HH11 ARG A 50 11.840 20.939 -3.456 1.00 13.53 H new ATOM 0 HH12 ARG A 50 12.743 21.985 -4.557 1.00 13.53 H new ATOM 0 HH21 ARG A 50 10.028 22.481 -6.751 1.00 5.35 H new ATOM 0 HH22 ARG A 50 11.722 22.854 -6.415 1.00 5.35 H new ATOM 763 N VAL A 51 5.217 16.492 -2.365 1.00 61.24 N ATOM 764 CA VAL A 51 4.752 15.111 -2.320 1.00 20.31 C ATOM 765 C VAL A 51 5.214 14.334 -3.548 1.00 3.51 C ATOM 766 O VAL A 51 5.128 14.825 -4.674 1.00 10.03 O ATOM 767 CB VAL A 51 3.216 15.038 -2.229 1.00 2.34 C ATOM 768 CG1 VAL A 51 2.762 13.606 -1.993 1.00 21.12 C ATOM 769 CG2 VAL A 51 2.704 15.956 -1.129 1.00 4.41 C ATOM 0 H VAL A 51 4.642 17.112 -2.936 1.00 61.24 H new ATOM 0 HA VAL A 51 5.184 14.662 -1.426 1.00 20.31 H new ATOM 0 HB VAL A 51 2.797 15.375 -3.177 1.00 2.34 H new ATOM 0 HG11 VAL A 51 1.674 13.575 -1.932 1.00 21.12 H new ATOM 0 HG12 VAL A 51 3.097 12.977 -2.818 1.00 21.12 H new ATOM 0 HG13 VAL A 51 3.189 13.238 -1.060 1.00 21.12 H new ATOM 0 HG21 VAL A 51 1.617 15.892 -1.078 1.00 4.41 H new ATOM 0 HG22 VAL A 51 3.130 15.651 -0.173 1.00 4.41 H new ATOM 0 HG23 VAL A 51 2.997 16.983 -1.346 1.00 4.41 H new ATOM 779 N ARG A 52 5.705 13.120 -3.323 1.00 71.12 N ATOM 780 CA ARG A 52 6.182 12.275 -4.412 1.00 11.34 C ATOM 781 C ARG A 52 5.595 10.871 -4.307 1.00 71.30 C ATOM 782 O ARG A 52 5.968 10.096 -3.427 1.00 3.35 O ATOM 783 CB ARG A 52 7.710 12.203 -4.398 1.00 11.33 C ATOM 784 CG ARG A 52 8.385 13.547 -4.617 1.00 11.41 C ATOM 785 CD ARG A 52 9.821 13.537 -4.118 1.00 3.44 C ATOM 786 NE ARG A 52 10.778 13.768 -5.197 1.00 54.00 N ATOM 787 CZ ARG A 52 11.074 14.973 -5.671 1.00 61.12 C ATOM 788 NH1 ARG A 52 10.492 16.051 -5.163 1.00 61.53 N ATOM 789 NH2 ARG A 52 11.955 15.102 -6.655 1.00 70.31 N ATOM 0 H ARG A 52 5.783 12.699 -2.397 1.00 71.12 H new ATOM 0 HA ARG A 52 5.855 12.718 -5.353 1.00 11.34 H new ATOM 0 HB2 ARG A 52 8.037 11.793 -3.443 1.00 11.33 H new ATOM 0 HB3 ARG A 52 8.040 11.510 -5.172 1.00 11.33 H new ATOM 0 HG2 ARG A 52 8.369 13.795 -5.678 1.00 11.41 H new ATOM 0 HG3 ARG A 52 7.824 14.326 -4.100 1.00 11.41 H new ATOM 0 HD2 ARG A 52 9.944 14.304 -3.354 1.00 3.44 H new ATOM 0 HD3 ARG A 52 10.033 12.579 -3.644 1.00 3.44 H new ATOM 0 HE ARG A 52 11.244 12.960 -5.609 1.00 54.00 H new ATOM 0 HH11 ARG A 52 9.815 15.956 -4.406 1.00 61.53 H new ATOM 0 HH12 ARG A 52 10.722 16.975 -5.529 1.00 61.53 H new ATOM 0 HH21 ARG A 52 12.405 14.275 -7.048 1.00 70.31 H new ATOM 0 HH22 ARG A 52 12.182 16.028 -7.018 1.00 70.31 H new ATOM 803 N GLN A 53 4.675 10.551 -5.211 1.00 35.30 N ATOM 804 CA GLN A 53 4.036 9.240 -5.219 1.00 15.11 C ATOM 805 C GLN A 53 4.878 8.228 -5.988 1.00 42.34 C ATOM 806 O GLN A 53 4.899 7.043 -5.656 1.00 63.04 O ATOM 807 CB GLN A 53 2.639 9.334 -5.837 1.00 23.22 C ATOM 808 CG GLN A 53 1.747 10.368 -5.169 1.00 72.43 C ATOM 809 CD GLN A 53 0.582 10.786 -6.045 1.00 21.40 C ATOM 810 OE1 GLN A 53 0.759 11.115 -7.218 1.00 44.30 O ATOM 811 NE2 GLN A 53 -0.619 10.774 -5.479 1.00 21.15 N ATOM 0 H GLN A 53 4.355 11.181 -5.947 1.00 35.30 H new ATOM 0 HA GLN A 53 3.947 8.901 -4.187 1.00 15.11 H new ATOM 0 HB2 GLN A 53 2.734 9.578 -6.895 1.00 23.22 H new ATOM 0 HB3 GLN A 53 2.158 8.358 -5.777 1.00 23.22 H new ATOM 0 HG2 GLN A 53 1.365 9.962 -4.232 1.00 72.43 H new ATOM 0 HG3 GLN A 53 2.341 11.247 -4.917 1.00 72.43 H new ATOM 0 HE21 GLN A 53 -0.720 10.494 -4.503 1.00 21.15 H new ATOM 0 HE22 GLN A 53 -1.440 11.044 -6.020 1.00 21.15 H new ATOM 820 N ASP A 54 5.571 8.704 -7.018 1.00 32.35 N ATOM 821 CA ASP A 54 6.416 7.841 -7.834 1.00 60.54 C ATOM 822 C ASP A 54 7.113 8.642 -8.930 1.00 31.53 C ATOM 823 O ASP A 54 8.314 8.900 -8.855 1.00 23.24 O ATOM 824 CB ASP A 54 5.585 6.718 -8.457 1.00 34.22 C ATOM 825 CG ASP A 54 6.327 5.991 -9.561 1.00 2.30 C ATOM 826 OD1 ASP A 54 7.439 5.486 -9.296 1.00 54.44 O ATOM 827 OD2 ASP A 54 5.797 5.927 -10.689 1.00 73.14 O ATOM 0 H ASP A 54 5.564 9.682 -7.307 1.00 32.35 H new ATOM 0 HA ASP A 54 7.177 7.404 -7.188 1.00 60.54 H new ATOM 0 HB2 ASP A 54 5.304 6.005 -7.682 1.00 34.22 H new ATOM 0 HB3 ASP A 54 4.660 7.134 -8.858 1.00 34.22 H new ATOM 832 N ARG A 55 6.351 9.031 -9.947 1.00 22.32 N ATOM 833 CA ARG A 55 6.896 9.800 -11.059 1.00 1.12 C ATOM 834 C ARG A 55 6.276 11.193 -11.111 1.00 50.45 C ATOM 835 O ARG A 55 6.877 12.131 -11.634 1.00 63.14 O ATOM 836 CB ARG A 55 6.650 9.070 -12.381 1.00 1.53 C ATOM 837 CG ARG A 55 7.741 9.298 -13.414 1.00 41.02 C ATOM 838 CD ARG A 55 7.463 8.530 -14.697 1.00 33.55 C ATOM 839 NE ARG A 55 8.386 7.412 -14.876 1.00 75.12 N ATOM 840 CZ ARG A 55 8.357 6.597 -15.925 1.00 24.13 C ATOM 841 NH1 ARG A 55 7.458 6.774 -16.883 1.00 10.35 N ATOM 842 NH2 ARG A 55 9.231 5.602 -16.017 1.00 14.11 N ATOM 0 H ARG A 55 5.355 8.826 -10.024 1.00 22.32 H new ATOM 0 HA ARG A 55 7.970 9.905 -10.905 1.00 1.12 H new ATOM 0 HB2 ARG A 55 6.564 8.001 -12.186 1.00 1.53 H new ATOM 0 HB3 ARG A 55 5.696 9.396 -12.795 1.00 1.53 H new ATOM 0 HG2 ARG A 55 7.817 10.363 -13.635 1.00 41.02 H new ATOM 0 HG3 ARG A 55 8.702 8.988 -13.004 1.00 41.02 H new ATOM 0 HD2 ARG A 55 6.439 8.156 -14.681 1.00 33.55 H new ATOM 0 HD3 ARG A 55 7.542 9.206 -15.549 1.00 33.55 H new ATOM 0 HE ARG A 55 9.091 7.248 -14.157 1.00 75.12 H new ATOM 0 HH11 ARG A 55 6.785 7.538 -16.816 1.00 10.35 H new ATOM 0 HH12 ARG A 55 7.439 6.146 -17.687 1.00 10.35 H new ATOM 0 HH21 ARG A 55 9.925 5.463 -15.282 1.00 14.11 H new ATOM 0 HH22 ARG A 55 9.209 4.976 -16.822 1.00 14.11 H new ATOM 856 N GLU A 56 5.070 11.320 -10.567 1.00 30.24 N ATOM 857 CA GLU A 56 4.369 12.598 -10.553 1.00 53.23 C ATOM 858 C GLU A 56 4.924 13.512 -9.465 1.00 3.21 C ATOM 859 O GLU A 56 5.904 13.177 -8.799 1.00 14.04 O ATOM 860 CB GLU A 56 2.870 12.381 -10.336 1.00 32.31 C ATOM 861 CG GLU A 56 1.997 13.096 -11.354 1.00 21.33 C ATOM 862 CD GLU A 56 0.657 13.516 -10.781 1.00 23.52 C ATOM 863 OE1 GLU A 56 -0.175 12.626 -10.505 1.00 65.44 O ATOM 864 OE2 GLU A 56 0.440 14.733 -10.608 1.00 45.03 O ATOM 0 H GLU A 56 4.558 10.553 -10.130 1.00 30.24 H new ATOM 0 HA GLU A 56 4.523 13.078 -11.520 1.00 53.23 H new ATOM 0 HB2 GLU A 56 2.657 11.313 -10.374 1.00 32.31 H new ATOM 0 HB3 GLU A 56 2.603 12.724 -9.336 1.00 32.31 H new ATOM 0 HG2 GLU A 56 2.522 13.977 -11.723 1.00 21.33 H new ATOM 0 HG3 GLU A 56 1.833 12.441 -12.210 1.00 21.33 H new ATOM 871 N TRP A 57 4.292 14.667 -9.292 1.00 5.42 N ATOM 872 CA TRP A 57 4.724 15.631 -8.285 1.00 35.41 C ATOM 873 C TRP A 57 3.557 16.498 -7.827 1.00 54.50 C ATOM 874 O TRP A 57 2.953 17.216 -8.625 1.00 71.41 O ATOM 875 CB TRP A 57 5.844 16.512 -8.839 1.00 51.04 C ATOM 876 CG TRP A 57 7.153 15.795 -8.972 1.00 24.01 C ATOM 877 CD1 TRP A 57 8.002 15.445 -7.961 1.00 2.32 C ATOM 878 CD2 TRP A 57 7.764 15.342 -10.185 1.00 55.24 C ATOM 879 NE1 TRP A 57 9.103 14.802 -8.473 1.00 5.42 N ATOM 880 CE2 TRP A 57 8.981 14.726 -9.835 1.00 34.31 C ATOM 881 CE3 TRP A 57 7.399 15.396 -11.533 1.00 64.45 C ATOM 882 CZ2 TRP A 57 9.833 14.169 -10.784 1.00 44.35 C ATOM 883 CZ3 TRP A 57 8.247 14.843 -12.475 1.00 0.23 C ATOM 884 CH2 TRP A 57 9.452 14.236 -12.097 1.00 30.10 C ATOM 0 H TRP A 57 3.479 14.959 -9.835 1.00 5.42 H new ATOM 0 HA TRP A 57 5.100 15.077 -7.425 1.00 35.41 H new ATOM 0 HB2 TRP A 57 5.546 16.894 -9.815 1.00 51.04 H new ATOM 0 HB3 TRP A 57 5.975 17.374 -8.185 1.00 51.04 H new ATOM 0 HD1 TRP A 57 7.833 15.644 -6.913 1.00 2.32 H new ATOM 0 HE1 TRP A 57 9.885 14.440 -7.927 1.00 5.42 H new ATOM 0 HE3 TRP A 57 6.472 15.861 -11.833 1.00 64.45 H new ATOM 0 HZ2 TRP A 57 10.762 13.700 -10.495 1.00 44.35 H new ATOM 0 HZ3 TRP A 57 7.976 14.880 -13.520 1.00 0.23 H new ATOM 0 HH2 TRP A 57 10.093 13.813 -12.856 1.00 30.10 H new ATOM 895 N VAL A 58 3.243 16.429 -6.537 1.00 5.30 N ATOM 896 CA VAL A 58 2.149 17.210 -5.973 1.00 1.21 C ATOM 897 C VAL A 58 2.634 18.086 -4.823 1.00 45.14 C ATOM 898 O VAL A 58 3.067 17.584 -3.787 1.00 24.32 O ATOM 899 CB VAL A 58 1.013 16.301 -5.467 1.00 4.10 C ATOM 900 CG1 VAL A 58 -0.195 17.131 -5.062 1.00 53.23 C ATOM 901 CG2 VAL A 58 0.637 15.279 -6.529 1.00 30.44 C ATOM 0 H VAL A 58 3.731 15.840 -5.863 1.00 5.30 H new ATOM 0 HA VAL A 58 1.768 17.844 -6.773 1.00 1.21 H new ATOM 0 HB VAL A 58 1.365 15.764 -4.587 1.00 4.10 H new ATOM 0 HG11 VAL A 58 -0.987 16.472 -4.707 1.00 53.23 H new ATOM 0 HG12 VAL A 58 0.087 17.820 -4.266 1.00 53.23 H new ATOM 0 HG13 VAL A 58 -0.552 17.697 -5.922 1.00 53.23 H new ATOM 0 HG21 VAL A 58 -0.167 14.645 -6.155 1.00 30.44 H new ATOM 0 HG22 VAL A 58 0.303 15.795 -7.429 1.00 30.44 H new ATOM 0 HG23 VAL A 58 1.505 14.663 -6.765 1.00 30.44 H new ATOM 911 N ALA A 59 2.559 19.399 -5.014 1.00 54.14 N ATOM 912 CA ALA A 59 2.988 20.346 -3.992 1.00 72.25 C ATOM 913 C ALA A 59 1.801 21.115 -3.424 1.00 15.25 C ATOM 914 O ALA A 59 0.967 21.629 -4.170 1.00 11.10 O ATOM 915 CB ALA A 59 4.018 21.308 -4.564 1.00 41.52 C ATOM 0 H ALA A 59 2.205 19.831 -5.867 1.00 54.14 H new ATOM 0 HA ALA A 59 3.445 19.783 -3.178 1.00 72.25 H new ATOM 0 HB1 ALA A 59 4.330 22.010 -3.790 1.00 41.52 H new ATOM 0 HB2 ALA A 59 4.884 20.747 -4.915 1.00 41.52 H new ATOM 0 HB3 ALA A 59 3.579 21.858 -5.397 1.00 41.52 H new ATOM 921 N ILE A 60 1.730 21.190 -2.099 1.00 32.22 N ATOM 922 CA ILE A 60 0.644 21.897 -1.431 1.00 3.01 C ATOM 923 C ILE A 60 1.184 22.932 -0.450 1.00 2.21 C ATOM 924 O ILE A 60 1.920 22.598 0.478 1.00 42.20 O ATOM 925 CB ILE A 60 -0.281 20.924 -0.676 1.00 2.31 C ATOM 926 CG1 ILE A 60 -0.867 19.891 -1.641 1.00 11.45 C ATOM 927 CG2 ILE A 60 -1.391 21.689 0.029 1.00 32.00 C ATOM 928 CD1 ILE A 60 -1.766 18.878 -0.967 1.00 61.14 C ATOM 0 H ILE A 60 2.412 20.770 -1.467 1.00 32.22 H new ATOM 0 HA ILE A 60 0.070 22.401 -2.209 1.00 3.01 H new ATOM 0 HB ILE A 60 0.306 20.398 0.077 1.00 2.31 H new ATOM 0 HG12 ILE A 60 -1.433 20.409 -2.415 1.00 11.45 H new ATOM 0 HG13 ILE A 60 -0.051 19.367 -2.139 1.00 11.45 H new ATOM 0 HG21 ILE A 60 -2.037 20.988 0.558 1.00 32.00 H new ATOM 0 HG22 ILE A 60 -0.955 22.389 0.741 1.00 32.00 H new ATOM 0 HG23 ILE A 60 -1.978 22.239 -0.707 1.00 32.00 H new ATOM 0 HD11 ILE A 60 -2.146 18.177 -1.710 1.00 61.14 H new ATOM 0 HD12 ILE A 60 -1.199 18.334 -0.212 1.00 61.14 H new ATOM 0 HD13 ILE A 60 -2.602 19.392 -0.493 1.00 61.14 H new ATOM 940 N ALA A 61 0.812 24.190 -0.661 1.00 55.31 N ATOM 941 CA ALA A 61 1.255 25.274 0.207 1.00 51.34 C ATOM 942 C ALA A 61 0.430 25.324 1.488 1.00 12.21 C ATOM 943 O ALA A 61 -0.788 25.502 1.448 1.00 74.02 O ATOM 944 CB ALA A 61 1.174 26.605 -0.527 1.00 63.44 C ATOM 0 H ALA A 61 0.205 24.484 -1.426 1.00 55.31 H new ATOM 0 HA ALA A 61 2.293 25.085 0.481 1.00 51.34 H new ATOM 0 HB1 ALA A 61 1.508 27.405 0.133 1.00 63.44 H new ATOM 0 HB2 ALA A 61 1.812 26.573 -1.410 1.00 63.44 H new ATOM 0 HB3 ALA A 61 0.144 26.791 -0.831 1.00 63.44 H new ATOM 950 N LEU A 62 1.100 25.166 2.624 1.00 31.40 N ATOM 951 CA LEU A 62 0.428 25.192 3.919 1.00 61.13 C ATOM 952 C LEU A 62 1.209 26.037 4.920 1.00 13.11 C ATOM 953 O LEU A 62 2.438 25.993 4.959 1.00 11.30 O ATOM 954 CB LEU A 62 0.259 23.770 4.457 1.00 70.14 C ATOM 955 CG LEU A 62 -0.264 22.734 3.461 1.00 21.43 C ATOM 956 CD1 LEU A 62 0.023 21.325 3.958 1.00 75.14 C ATOM 957 CD2 LEU A 62 -1.755 22.925 3.226 1.00 50.22 C ATOM 0 H LEU A 62 2.108 25.019 2.675 1.00 31.40 H new ATOM 0 HA LEU A 62 -0.556 25.641 3.781 1.00 61.13 H new ATOM 0 HB2 LEU A 62 1.223 23.428 4.834 1.00 70.14 H new ATOM 0 HB3 LEU A 62 -0.422 23.803 5.308 1.00 70.14 H new ATOM 0 HG LEU A 62 0.254 22.876 2.512 1.00 21.43 H new ATOM 0 HD11 LEU A 62 -0.356 20.601 3.237 1.00 75.14 H new ATOM 0 HD12 LEU A 62 1.099 21.192 4.075 1.00 75.14 H new ATOM 0 HD13 LEU A 62 -0.468 21.171 4.919 1.00 75.14 H new ATOM 0 HD21 LEU A 62 -2.110 22.179 2.515 1.00 50.22 H new ATOM 0 HD22 LEU A 62 -2.290 22.810 4.169 1.00 50.22 H new ATOM 0 HD23 LEU A 62 -1.935 23.923 2.826 1.00 50.22 H new ATOM 969 N MET A 63 0.486 26.804 5.730 1.00 52.13 N ATOM 970 CA MET A 63 1.111 27.657 6.734 1.00 21.20 C ATOM 971 C MET A 63 1.648 26.826 7.895 1.00 64.43 C ATOM 972 O MET A 63 1.619 25.596 7.856 1.00 1.32 O ATOM 973 CB MET A 63 0.109 28.690 7.252 1.00 32.14 C ATOM 974 CG MET A 63 0.498 30.125 6.938 1.00 2.33 C ATOM 975 SD MET A 63 0.650 30.432 5.168 1.00 41.30 S ATOM 976 CE MET A 63 2.285 31.160 5.090 1.00 72.14 C ATOM 0 H MET A 63 -0.533 26.852 5.711 1.00 52.13 H new ATOM 0 HA MET A 63 1.947 28.176 6.264 1.00 21.20 H new ATOM 0 HB2 MET A 63 -0.869 28.484 6.818 1.00 32.14 H new ATOM 0 HB3 MET A 63 0.009 28.577 8.332 1.00 32.14 H new ATOM 0 HG2 MET A 63 -0.249 30.800 7.357 1.00 2.33 H new ATOM 0 HG3 MET A 63 1.445 30.356 7.425 1.00 2.33 H new ATOM 0 HE1 MET A 63 2.816 30.769 4.222 1.00 72.14 H new ATOM 0 HE2 MET A 63 2.197 32.243 5.004 1.00 72.14 H new ATOM 0 HE3 MET A 63 2.838 30.911 5.996 1.00 72.14 H new ATOM 986 N GLY A 64 2.139 27.505 8.927 1.00 44.44 N ATOM 987 CA GLY A 64 2.677 26.813 10.083 1.00 34.22 C ATOM 988 C GLY A 64 1.711 25.788 10.646 1.00 43.35 C ATOM 989 O GLY A 64 0.497 25.922 10.497 1.00 23.12 O ATOM 0 H GLY A 64 2.174 28.523 8.983 1.00 44.44 H new ATOM 0 HA2 GLY A 64 3.607 26.317 9.806 1.00 34.22 H new ATOM 0 HA3 GLY A 64 2.922 27.541 10.857 1.00 34.22 H new ATOM 993 N GLY A 65 2.252 24.760 11.292 1.00 1.24 N ATOM 994 CA GLY A 65 1.416 23.723 11.867 1.00 31.34 C ATOM 995 C GLY A 65 2.224 22.558 12.405 1.00 50.40 C ATOM 996 O GLY A 65 3.437 22.666 12.585 1.00 22.12 O ATOM 0 H GLY A 65 3.254 24.627 11.427 1.00 1.24 H new ATOM 0 HA2 GLY A 65 0.817 24.148 12.672 1.00 31.34 H new ATOM 0 HA3 GLY A 65 0.721 23.360 11.110 1.00 31.34 H new ATOM 1000 N PHE A 66 1.551 21.442 12.664 1.00 53.33 N ATOM 1001 CA PHE A 66 2.214 20.253 13.187 1.00 55.41 C ATOM 1002 C PHE A 66 1.867 19.025 12.351 1.00 53.03 C ATOM 1003 O PHE A 66 0.729 18.861 11.911 1.00 1.22 O ATOM 1004 CB PHE A 66 1.814 20.021 14.645 1.00 32.14 C ATOM 1005 CG PHE A 66 2.112 21.188 15.542 1.00 0.31 C ATOM 1006 CD1 PHE A 66 1.196 22.217 15.690 1.00 33.02 C ATOM 1007 CD2 PHE A 66 3.309 21.257 16.237 1.00 41.35 C ATOM 1008 CE1 PHE A 66 1.467 23.293 16.515 1.00 72.41 C ATOM 1009 CE2 PHE A 66 3.586 22.330 17.063 1.00 55.11 C ATOM 1010 CZ PHE A 66 2.664 23.350 17.201 1.00 31.53 C ATOM 0 H PHE A 66 0.547 21.336 12.520 1.00 53.33 H new ATOM 0 HA PHE A 66 3.291 20.414 13.134 1.00 55.41 H new ATOM 0 HB2 PHE A 66 0.747 19.802 14.690 1.00 32.14 H new ATOM 0 HB3 PHE A 66 2.336 19.141 15.021 1.00 32.14 H new ATOM 0 HD1 PHE A 66 0.259 22.178 15.154 1.00 33.02 H new ATOM 0 HD2 PHE A 66 4.034 20.463 16.132 1.00 41.35 H new ATOM 0 HE1 PHE A 66 0.744 24.088 16.623 1.00 72.41 H new ATOM 0 HE2 PHE A 66 4.522 22.371 17.600 1.00 55.11 H new ATOM 0 HZ PHE A 66 2.879 24.190 17.844 1.00 31.53 H new ATOM 1020 N ALA A 67 2.857 18.165 12.135 1.00 74.11 N ATOM 1021 CA ALA A 67 2.657 16.951 11.353 1.00 30.12 C ATOM 1022 C ALA A 67 2.967 15.708 12.180 1.00 2.05 C ATOM 1023 O ALA A 67 3.859 15.723 13.028 1.00 21.20 O ATOM 1024 CB ALA A 67 3.520 16.982 10.100 1.00 14.22 C ATOM 0 H ALA A 67 3.805 18.286 12.490 1.00 74.11 H new ATOM 0 HA ALA A 67 1.609 16.907 11.058 1.00 30.12 H new ATOM 0 HB1 ALA A 67 3.361 16.069 9.526 1.00 14.22 H new ATOM 0 HB2 ALA A 67 3.248 17.845 9.492 1.00 14.22 H new ATOM 0 HB3 ALA A 67 4.570 17.054 10.383 1.00 14.22 H new ATOM 1030 N GLU A 68 2.225 14.635 11.929 1.00 73.54 N ATOM 1031 CA GLU A 68 2.421 13.384 12.652 1.00 32.14 C ATOM 1032 C GLU A 68 2.153 12.184 11.748 1.00 0.22 C ATOM 1033 O GLU A 68 1.047 12.014 11.235 1.00 31.44 O ATOM 1034 CB GLU A 68 1.505 13.328 13.877 1.00 54.34 C ATOM 1035 CG GLU A 68 0.047 13.619 13.560 1.00 62.21 C ATOM 1036 CD GLU A 68 -0.891 12.563 14.111 1.00 12.14 C ATOM 1037 OE1 GLU A 68 -0.739 11.381 13.740 1.00 72.32 O ATOM 1038 OE2 GLU A 68 -1.778 12.920 14.915 1.00 1.02 O ATOM 0 H GLU A 68 1.482 14.606 11.230 1.00 73.54 H new ATOM 0 HA GLU A 68 3.459 13.344 12.981 1.00 32.14 H new ATOM 0 HB2 GLU A 68 1.579 12.340 14.331 1.00 54.34 H new ATOM 0 HB3 GLU A 68 1.858 14.046 14.617 1.00 54.34 H new ATOM 0 HG2 GLU A 68 -0.224 14.591 13.972 1.00 62.21 H new ATOM 0 HG3 GLU A 68 -0.080 13.685 12.479 1.00 62.21 H new ATOM 1045 N VAL A 69 3.174 11.355 11.557 1.00 44.34 N ATOM 1046 CA VAL A 69 3.051 10.171 10.715 1.00 14.11 C ATOM 1047 C VAL A 69 2.989 8.902 11.558 1.00 44.12 C ATOM 1048 O VAL A 69 3.600 8.823 12.623 1.00 1.31 O ATOM 1049 CB VAL A 69 4.225 10.061 9.725 1.00 23.31 C ATOM 1050 CG1 VAL A 69 5.466 9.527 10.425 1.00 34.04 C ATOM 1051 CG2 VAL A 69 3.847 9.177 8.546 1.00 33.12 C ATOM 0 H VAL A 69 4.096 11.482 11.974 1.00 44.34 H new ATOM 0 HA VAL A 69 2.123 10.277 10.154 1.00 14.11 H new ATOM 0 HB VAL A 69 4.451 11.057 9.345 1.00 23.31 H new ATOM 0 HG11 VAL A 69 6.285 9.456 9.709 1.00 34.04 H new ATOM 0 HG12 VAL A 69 5.747 10.203 11.233 1.00 34.04 H new ATOM 0 HG13 VAL A 69 5.256 8.539 10.835 1.00 34.04 H new ATOM 0 HG21 VAL A 69 4.689 9.111 7.857 1.00 33.12 H new ATOM 0 HG22 VAL A 69 3.593 8.180 8.906 1.00 33.12 H new ATOM 0 HG23 VAL A 69 2.988 9.606 8.030 1.00 33.12 H new ATOM 1061 N GLU A 70 2.248 7.911 11.072 1.00 23.02 N ATOM 1062 CA GLU A 70 2.108 6.645 11.782 1.00 75.01 C ATOM 1063 C GLU A 70 1.361 5.623 10.929 1.00 0.20 C ATOM 1064 O GLU A 70 0.226 5.855 10.515 1.00 0.33 O ATOM 1065 CB GLU A 70 1.370 6.856 13.106 1.00 43.30 C ATOM 1066 CG GLU A 70 0.092 7.666 12.968 1.00 33.33 C ATOM 1067 CD GLU A 70 -1.110 6.966 13.574 1.00 5.44 C ATOM 1068 OE1 GLU A 70 -1.628 6.022 12.943 1.00 11.20 O ATOM 1069 OE2 GLU A 70 -1.531 7.364 14.681 1.00 63.01 O ATOM 0 H GLU A 70 1.736 7.960 10.191 1.00 23.02 H new ATOM 0 HA GLU A 70 3.107 6.261 11.988 1.00 75.01 H new ATOM 0 HB2 GLU A 70 1.129 5.884 13.537 1.00 43.30 H new ATOM 0 HB3 GLU A 70 2.036 7.360 13.807 1.00 43.30 H new ATOM 0 HG2 GLU A 70 0.226 8.634 13.451 1.00 33.33 H new ATOM 0 HG3 GLU A 70 -0.099 7.860 11.912 1.00 33.33 H new ATOM 1076 N ASN A 71 2.008 4.492 10.670 1.00 22.41 N ATOM 1077 CA ASN A 71 1.407 3.434 9.866 1.00 50.14 C ATOM 1078 C ASN A 71 0.862 3.992 8.554 1.00 33.42 C ATOM 1079 O ASN A 71 -0.285 3.736 8.188 1.00 24.53 O ATOM 1080 CB ASN A 71 0.285 2.746 10.646 1.00 1.30 C ATOM 1081 CG ASN A 71 0.811 1.902 11.791 1.00 13.21 C ATOM 1082 OD1 ASN A 71 1.858 1.265 11.677 1.00 34.42 O ATOM 1083 ND2 ASN A 71 0.084 1.895 12.902 1.00 31.44 N ATOM 0 H ASN A 71 2.949 4.284 11.005 1.00 22.41 H new ATOM 0 HA ASN A 71 2.181 2.702 9.636 1.00 50.14 H new ATOM 0 HB2 ASN A 71 -0.397 3.501 11.038 1.00 1.30 H new ATOM 0 HB3 ASN A 71 -0.291 2.116 9.969 1.00 1.30 H new ATOM 0 HD21 ASN A 71 0.387 1.346 13.706 1.00 31.44 H new ATOM 0 HD22 ASN A 71 -0.778 2.439 12.951 1.00 31.44 H new ATOM 1090 N ASN A 72 1.692 4.755 7.851 1.00 22.32 N ATOM 1091 CA ASN A 72 1.294 5.349 6.580 1.00 34.32 C ATOM 1092 C ASN A 72 0.129 6.315 6.773 1.00 41.31 C ATOM 1093 O ASN A 72 -0.745 6.428 5.914 1.00 21.22 O ATOM 1094 CB ASN A 72 0.904 4.256 5.583 1.00 62.14 C ATOM 1095 CG ASN A 72 1.729 2.995 5.755 1.00 34.25 C ATOM 1096 OD1 ASN A 72 3.045 3.154 5.830 1.00 61.34 O flip ATOM 1097 ND2 ASN A 72 1.188 1.891 5.822 1.00 51.22 N flip ATOM 0 H ASN A 72 2.645 4.977 8.140 1.00 22.32 H new ATOM 0 HA ASN A 72 2.144 5.906 6.185 1.00 34.32 H new ATOM 0 HB2 ASN A 72 -0.152 4.016 5.706 1.00 62.14 H new ATOM 0 HB3 ASN A 72 1.029 4.633 4.568 1.00 62.14 H new ATOM 0 HD21 ASN A 72 0.173 1.816 5.760 1.00 51.22 H new ATOM 0 HD22 ASN A 72 1.755 1.051 5.940 1.00 51.22 H new ATOM 1104 N GLU A 73 0.126 7.011 7.906 1.00 74.22 N ATOM 1105 CA GLU A 73 -0.932 7.968 8.211 1.00 64.32 C ATOM 1106 C GLU A 73 -0.345 9.289 8.698 1.00 12.44 C ATOM 1107 O GLU A 73 0.030 9.423 9.863 1.00 21.23 O ATOM 1108 CB GLU A 73 -1.878 7.396 9.268 1.00 20.15 C ATOM 1109 CG GLU A 73 -2.296 5.960 8.999 1.00 4.01 C ATOM 1110 CD GLU A 73 -3.801 5.781 8.999 1.00 73.32 C ATOM 1111 OE1 GLU A 73 -4.419 5.947 7.926 1.00 20.24 O ATOM 1112 OE2 GLU A 73 -4.362 5.474 10.072 1.00 62.31 O ATOM 0 H GLU A 73 0.843 6.930 8.627 1.00 74.22 H new ATOM 0 HA GLU A 73 -1.493 8.155 7.296 1.00 64.32 H new ATOM 0 HB2 GLU A 73 -1.393 7.448 10.243 1.00 20.15 H new ATOM 0 HB3 GLU A 73 -2.769 8.021 9.322 1.00 20.15 H new ATOM 0 HG2 GLU A 73 -1.896 5.644 8.036 1.00 4.01 H new ATOM 0 HG3 GLU A 73 -1.857 5.310 9.755 1.00 4.01 H new ATOM 1119 N VAL A 74 -0.269 10.264 7.798 1.00 41.30 N ATOM 1120 CA VAL A 74 0.271 11.576 8.135 1.00 30.02 C ATOM 1121 C VAL A 74 -0.846 12.577 8.406 1.00 14.13 C ATOM 1122 O VAL A 74 -1.795 12.692 7.629 1.00 1.13 O ATOM 1123 CB VAL A 74 1.170 12.119 7.009 1.00 41.42 C ATOM 1124 CG1 VAL A 74 2.110 13.188 7.545 1.00 42.45 C ATOM 1125 CG2 VAL A 74 1.951 10.988 6.359 1.00 65.34 C ATOM 0 H VAL A 74 -0.575 10.170 6.829 1.00 41.30 H new ATOM 0 HA VAL A 74 0.869 11.450 9.038 1.00 30.02 H new ATOM 0 HB VAL A 74 0.536 12.575 6.249 1.00 41.42 H new ATOM 0 HG11 VAL A 74 2.738 13.560 6.735 1.00 42.45 H new ATOM 0 HG12 VAL A 74 1.527 14.010 7.959 1.00 42.45 H new ATOM 0 HG13 VAL A 74 2.740 12.761 8.325 1.00 42.45 H new ATOM 0 HG21 VAL A 74 2.581 11.390 5.566 1.00 65.34 H new ATOM 0 HG22 VAL A 74 2.576 10.501 7.107 1.00 65.34 H new ATOM 0 HG23 VAL A 74 1.256 10.261 5.938 1.00 65.34 H new ATOM 1135 N THR A 75 -0.728 13.302 9.515 1.00 74.42 N ATOM 1136 CA THR A 75 -1.728 14.293 9.890 1.00 54.23 C ATOM 1137 C THR A 75 -1.095 15.666 10.085 1.00 53.14 C ATOM 1138 O THR A 75 -0.445 15.922 11.098 1.00 24.54 O ATOM 1139 CB THR A 75 -2.462 13.890 11.183 1.00 3.41 C ATOM 1140 OG1 THR A 75 -2.228 12.507 11.468 1.00 22.22 O ATOM 1141 CG2 THR A 75 -3.957 14.142 11.058 1.00 22.03 C ATOM 0 H THR A 75 0.051 13.221 10.169 1.00 74.42 H new ATOM 0 HA THR A 75 -2.448 14.340 9.073 1.00 54.23 H new ATOM 0 HB THR A 75 -2.075 14.499 12.000 1.00 3.41 H new ATOM 0 HG1 THR A 75 -2.818 12.218 12.195 1.00 22.22 H new ATOM 0 HG21 THR A 75 -4.454 13.850 11.983 1.00 22.03 H new ATOM 0 HG22 THR A 75 -4.133 15.201 10.871 1.00 22.03 H new ATOM 0 HG23 THR A 75 -4.357 13.556 10.231 1.00 22.03 H new ATOM 1149 N ILE A 76 -1.290 16.546 9.109 1.00 53.44 N ATOM 1150 CA ILE A 76 -0.739 17.894 9.175 1.00 53.22 C ATOM 1151 C ILE A 76 -1.819 18.913 9.523 1.00 52.13 C ATOM 1152 O ILE A 76 -2.772 19.107 8.767 1.00 73.32 O ATOM 1153 CB ILE A 76 -0.078 18.298 7.844 1.00 50.02 C ATOM 1154 CG1 ILE A 76 0.907 17.218 7.390 1.00 11.53 C ATOM 1155 CG2 ILE A 76 0.627 19.639 7.988 1.00 75.33 C ATOM 1156 CD1 ILE A 76 0.414 16.407 6.213 1.00 70.12 C ATOM 0 H ILE A 76 -1.825 16.350 8.263 1.00 53.44 H new ATOM 0 HA ILE A 76 0.018 17.887 9.960 1.00 53.22 H new ATOM 0 HB ILE A 76 -0.854 18.397 7.085 1.00 50.02 H new ATOM 0 HG12 ILE A 76 1.854 17.689 7.125 1.00 11.53 H new ATOM 0 HG13 ILE A 76 1.108 16.547 8.225 1.00 11.53 H new ATOM 0 HG21 ILE A 76 1.089 19.911 7.039 1.00 75.33 H new ATOM 0 HG22 ILE A 76 -0.098 20.403 8.271 1.00 75.33 H new ATOM 0 HG23 ILE A 76 1.395 19.565 8.758 1.00 75.33 H new ATOM 0 HD11 ILE A 76 1.163 15.661 5.946 1.00 70.12 H new ATOM 0 HD12 ILE A 76 -0.517 15.907 6.480 1.00 70.12 H new ATOM 0 HD13 ILE A 76 0.240 17.067 5.363 1.00 70.12 H new ATOM 1168 N LEU A 77 -1.663 19.564 10.670 1.00 31.44 N ATOM 1169 CA LEU A 77 -2.624 20.565 11.119 1.00 51.53 C ATOM 1170 C LEU A 77 -2.039 21.970 11.005 1.00 34.35 C ATOM 1171 O LEU A 77 -1.414 22.470 11.940 1.00 3.40 O ATOM 1172 CB LEU A 77 -3.041 20.289 12.564 1.00 14.53 C ATOM 1173 CG LEU A 77 -4.044 21.271 13.173 1.00 44.24 C ATOM 1174 CD1 LEU A 77 -5.464 20.749 13.017 1.00 5.22 C ATOM 1175 CD2 LEU A 77 -3.723 21.521 14.639 1.00 24.20 C ATOM 0 H LEU A 77 -0.880 19.417 11.306 1.00 31.44 H new ATOM 0 HA LEU A 77 -3.503 20.504 10.477 1.00 51.53 H new ATOM 0 HB2 LEU A 77 -3.468 19.287 12.613 1.00 14.53 H new ATOM 0 HB3 LEU A 77 -2.145 20.284 13.185 1.00 14.53 H new ATOM 0 HG LEU A 77 -3.967 22.218 12.639 1.00 44.24 H new ATOM 0 HD11 LEU A 77 -6.163 21.460 13.456 1.00 5.22 H new ATOM 0 HD12 LEU A 77 -5.691 20.623 11.958 1.00 5.22 H new ATOM 0 HD13 LEU A 77 -5.557 19.789 13.525 1.00 5.22 H new ATOM 0 HD21 LEU A 77 -4.447 22.222 15.056 1.00 24.20 H new ATOM 0 HD22 LEU A 77 -3.771 20.580 15.188 1.00 24.20 H new ATOM 0 HD23 LEU A 77 -2.721 21.940 14.726 1.00 24.20 H new ATOM 1187 N VAL A 78 -2.249 22.602 9.855 1.00 74.30 N ATOM 1188 CA VAL A 78 -1.746 23.950 9.620 1.00 33.13 C ATOM 1189 C VAL A 78 -2.816 24.995 9.915 1.00 34.24 C ATOM 1190 O VAL A 78 -3.952 24.658 10.249 1.00 43.24 O ATOM 1191 CB VAL A 78 -1.261 24.123 8.169 1.00 54.33 C ATOM 1192 CG1 VAL A 78 -0.066 23.224 7.894 1.00 43.21 C ATOM 1193 CG2 VAL A 78 -2.391 23.835 7.192 1.00 74.30 C ATOM 0 H VAL A 78 -2.764 22.202 9.071 1.00 74.30 H new ATOM 0 HA VAL A 78 -0.904 24.096 10.296 1.00 33.13 H new ATOM 0 HB VAL A 78 -0.946 25.157 8.031 1.00 54.33 H new ATOM 0 HG11 VAL A 78 0.262 23.360 6.864 1.00 43.21 H new ATOM 0 HG12 VAL A 78 0.748 23.483 8.571 1.00 43.21 H new ATOM 0 HG13 VAL A 78 -0.350 22.183 8.049 1.00 43.21 H new ATOM 0 HG21 VAL A 78 -2.031 23.962 6.171 1.00 74.30 H new ATOM 0 HG22 VAL A 78 -2.739 22.811 7.329 1.00 74.30 H new ATOM 0 HG23 VAL A 78 -3.215 24.525 7.375 1.00 74.30 H new ATOM 1203 N ASN A 79 -2.446 26.265 9.790 1.00 2.10 N ATOM 1204 CA ASN A 79 -3.374 27.361 10.043 1.00 33.35 C ATOM 1205 C ASN A 79 -3.649 28.147 8.765 1.00 13.34 C ATOM 1206 O ASN A 79 -4.003 29.325 8.813 1.00 75.54 O ATOM 1207 CB ASN A 79 -2.814 28.293 11.119 1.00 2.41 C ATOM 1208 CG ASN A 79 -2.771 27.639 12.486 1.00 4.04 C ATOM 1209 OD1 ASN A 79 -1.756 27.064 12.880 1.00 63.12 O ATOM 1210 ND2 ASN A 79 -3.876 27.724 13.218 1.00 64.10 N ATOM 0 H ASN A 79 -1.509 26.561 9.515 1.00 2.10 H new ATOM 0 HA ASN A 79 -4.314 26.935 10.395 1.00 33.35 H new ATOM 0 HB2 ASN A 79 -1.809 28.606 10.837 1.00 2.41 H new ATOM 0 HB3 ASN A 79 -3.426 29.194 11.169 1.00 2.41 H new ATOM 0 HD21 ASN A 79 -3.906 27.303 14.147 1.00 64.10 H new ATOM 0 HD22 ASN A 79 -4.694 28.210 12.852 1.00 64.10 H new ATOM 1217 N GLY A 80 -3.484 27.487 7.623 1.00 20.02 N ATOM 1218 CA GLY A 80 -3.719 28.139 6.348 1.00 0.54 C ATOM 1219 C GLY A 80 -3.466 27.219 5.171 1.00 42.32 C ATOM 1220 O GLY A 80 -2.694 26.266 5.274 1.00 54.10 O ATOM 0 H GLY A 80 -3.192 26.512 7.558 1.00 20.02 H new ATOM 0 HA2 GLY A 80 -4.748 28.497 6.311 1.00 0.54 H new ATOM 0 HA3 GLY A 80 -3.074 29.014 6.267 1.00 0.54 H new ATOM 1224 N ALA A 81 -4.118 27.504 4.048 1.00 32.05 N ATOM 1225 CA ALA A 81 -3.959 26.695 2.846 1.00 35.04 C ATOM 1226 C ALA A 81 -3.736 27.573 1.620 1.00 70.45 C ATOM 1227 O ALA A 81 -4.238 28.694 1.548 1.00 22.12 O ATOM 1228 CB ALA A 81 -5.176 25.804 2.646 1.00 71.33 C ATOM 0 H ALA A 81 -4.761 28.289 3.946 1.00 32.05 H new ATOM 0 HA ALA A 81 -3.079 26.065 2.974 1.00 35.04 H new ATOM 0 HB1 ALA A 81 -5.044 25.205 1.745 1.00 71.33 H new ATOM 0 HB2 ALA A 81 -5.290 25.145 3.507 1.00 71.33 H new ATOM 0 HB3 ALA A 81 -6.067 26.423 2.543 1.00 71.33 H new ATOM 1234 N GLU A 82 -2.979 27.055 0.657 1.00 75.31 N ATOM 1235 CA GLU A 82 -2.689 27.793 -0.566 1.00 51.53 C ATOM 1236 C GLU A 82 -2.306 26.844 -1.698 1.00 33.43 C ATOM 1237 O GLU A 82 -1.470 25.957 -1.522 1.00 50.41 O ATOM 1238 CB GLU A 82 -1.561 28.799 -0.326 1.00 22.43 C ATOM 1239 CG GLU A 82 -1.944 30.233 -0.651 1.00 24.34 C ATOM 1240 CD GLU A 82 -0.864 30.964 -1.424 1.00 64.10 C ATOM 1241 OE1 GLU A 82 -0.244 30.342 -2.312 1.00 34.40 O ATOM 1242 OE2 GLU A 82 -0.638 32.159 -1.141 1.00 11.31 O ATOM 0 H GLU A 82 -2.556 26.128 0.701 1.00 75.31 H new ATOM 0 HA GLU A 82 -3.591 28.331 -0.857 1.00 51.53 H new ATOM 0 HB2 GLU A 82 -1.251 28.742 0.717 1.00 22.43 H new ATOM 0 HB3 GLU A 82 -0.699 28.516 -0.930 1.00 22.43 H new ATOM 0 HG2 GLU A 82 -2.866 30.236 -1.232 1.00 24.34 H new ATOM 0 HG3 GLU A 82 -2.149 30.769 0.276 1.00 24.34 H new ATOM 1249 N ARG A 83 -2.925 27.035 -2.858 1.00 51.41 N ATOM 1250 CA ARG A 83 -2.651 26.195 -4.018 1.00 13.51 C ATOM 1251 C ARG A 83 -1.593 26.833 -4.913 1.00 64.10 C ATOM 1252 O ARG A 83 -1.695 28.004 -5.276 1.00 75.35 O ATOM 1253 CB ARG A 83 -3.934 25.958 -4.817 1.00 12.13 C ATOM 1254 CG ARG A 83 -4.718 24.738 -4.362 1.00 22.31 C ATOM 1255 CD ARG A 83 -6.192 25.061 -4.173 1.00 62.44 C ATOM 1256 NE ARG A 83 -6.958 24.856 -5.400 1.00 0.52 N ATOM 1257 CZ ARG A 83 -7.389 23.668 -5.808 1.00 13.13 C ATOM 1258 NH1 ARG A 83 -7.131 22.583 -5.090 1.00 51.43 N ATOM 1259 NH2 ARG A 83 -8.081 23.563 -6.935 1.00 42.13 N ATOM 0 H ARG A 83 -3.620 27.764 -3.020 1.00 51.41 H new ATOM 0 HA ARG A 83 -2.271 25.238 -3.661 1.00 13.51 H new ATOM 0 HB2 ARG A 83 -4.570 26.839 -4.736 1.00 12.13 H new ATOM 0 HB3 ARG A 83 -3.680 25.844 -5.871 1.00 12.13 H new ATOM 0 HG2 ARG A 83 -4.611 23.940 -5.097 1.00 22.31 H new ATOM 0 HG3 ARG A 83 -4.303 24.366 -3.425 1.00 22.31 H new ATOM 0 HD2 ARG A 83 -6.602 24.435 -3.381 1.00 62.44 H new ATOM 0 HD3 ARG A 83 -6.298 26.096 -3.848 1.00 62.44 H new ATOM 0 HE ARG A 83 -7.174 25.670 -5.975 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -6.600 22.660 -4.222 1.00 51.43 H new ATOM 0 HH12 ARG A 83 -7.463 21.672 -5.406 1.00 51.43 H new ATOM 0 HH21 ARG A 83 -8.283 24.395 -7.489 1.00 42.13 H new ATOM 0 HH22 ARG A 83 -8.411 22.650 -7.247 1.00 42.13 H new ATOM 1273 N GLY A 84 -0.574 26.053 -5.264 1.00 54.34 N ATOM 1274 CA GLY A 84 0.489 26.559 -6.113 1.00 74.12 C ATOM 1275 C GLY A 84 0.048 26.733 -7.553 1.00 13.10 C ATOM 1276 O GLY A 84 0.790 27.269 -8.376 1.00 60.11 O ATOM 0 H GLY A 84 -0.466 25.081 -4.976 1.00 54.34 H new ATOM 0 HA2 GLY A 84 0.836 27.517 -5.724 1.00 74.12 H new ATOM 0 HA3 GLY A 84 1.336 25.874 -6.076 1.00 74.12 H new ATOM 1280 N ASP A 85 -1.163 26.278 -7.858 1.00 45.44 N ATOM 1281 CA ASP A 85 -1.701 26.386 -9.209 1.00 53.03 C ATOM 1282 C ASP A 85 -2.268 27.780 -9.459 1.00 12.13 C ATOM 1283 O ASP A 85 -2.341 28.238 -10.600 1.00 14.04 O ATOM 1284 CB ASP A 85 -2.787 25.333 -9.434 1.00 33.44 C ATOM 1285 CG ASP A 85 -2.262 23.919 -9.282 1.00 33.52 C ATOM 1286 OD1 ASP A 85 -1.624 23.418 -10.231 1.00 71.11 O ATOM 1287 OD2 ASP A 85 -2.490 23.312 -8.214 1.00 34.00 O ATOM 0 H ASP A 85 -1.790 25.831 -7.188 1.00 45.44 H new ATOM 0 HA ASP A 85 -0.886 26.213 -9.912 1.00 53.03 H new ATOM 0 HB2 ASP A 85 -3.598 25.495 -8.724 1.00 33.44 H new ATOM 0 HB3 ASP A 85 -3.207 25.456 -10.432 1.00 33.44 H new ATOM 1292 N THR A 86 -2.670 28.451 -8.384 1.00 0.34 N ATOM 1293 CA THR A 86 -3.233 29.792 -8.486 1.00 24.24 C ATOM 1294 C THR A 86 -2.163 30.855 -8.263 1.00 52.32 C ATOM 1295 O THR A 86 -2.432 31.908 -7.683 1.00 74.51 O ATOM 1296 CB THR A 86 -4.370 30.003 -7.468 1.00 64.21 C ATOM 1297 OG1 THR A 86 -4.956 31.296 -7.650 1.00 54.24 O ATOM 1298 CG2 THR A 86 -3.852 29.871 -6.044 1.00 13.25 C ATOM 0 H THR A 86 -2.616 28.088 -7.432 1.00 0.34 H new ATOM 0 HA THR A 86 -3.635 29.890 -9.494 1.00 24.24 H new ATOM 0 HB THR A 86 -5.126 29.235 -7.635 1.00 64.21 H new ATOM 0 HG1 THR A 86 -4.268 31.928 -7.945 1.00 54.24 H new ATOM 0 HG21 THR A 86 -4.672 30.024 -5.343 1.00 13.25 H new ATOM 0 HG22 THR A 86 -3.433 28.875 -5.900 1.00 13.25 H new ATOM 0 HG23 THR A 86 -3.079 30.619 -5.867 1.00 13.25 H new ATOM 1306 N ILE A 87 -0.951 30.575 -8.728 1.00 64.52 N ATOM 1307 CA ILE A 87 0.159 31.509 -8.581 1.00 75.22 C ATOM 1308 C ILE A 87 0.287 32.407 -9.807 1.00 21.31 C ATOM 1309 O ILE A 87 0.747 31.971 -10.863 1.00 3.34 O ATOM 1310 CB ILE A 87 1.491 30.770 -8.358 1.00 62.20 C ATOM 1311 CG1 ILE A 87 1.408 29.887 -7.111 1.00 15.42 C ATOM 1312 CG2 ILE A 87 2.635 31.766 -8.233 1.00 74.42 C ATOM 1313 CD1 ILE A 87 2.634 29.029 -6.894 1.00 42.24 C ATOM 0 H ILE A 87 -0.712 29.709 -9.210 1.00 64.52 H new ATOM 0 HA ILE A 87 -0.057 32.122 -7.706 1.00 75.22 H new ATOM 0 HB ILE A 87 1.683 30.131 -9.220 1.00 62.20 H new ATOM 0 HG12 ILE A 87 1.259 30.521 -6.237 1.00 15.42 H new ATOM 0 HG13 ILE A 87 0.533 29.242 -7.190 1.00 15.42 H new ATOM 0 HG21 ILE A 87 3.570 31.228 -8.076 1.00 74.42 H new ATOM 0 HG22 ILE A 87 2.705 32.356 -9.147 1.00 74.42 H new ATOM 0 HG23 ILE A 87 2.450 32.428 -7.387 1.00 74.42 H new ATOM 0 HD11 ILE A 87 2.504 28.430 -5.992 1.00 42.24 H new ATOM 0 HD12 ILE A 87 2.773 28.370 -7.751 1.00 42.24 H new ATOM 0 HD13 ILE A 87 3.510 29.668 -6.782 1.00 42.24 H new ATOM 1325 N ASP A 88 -0.121 33.662 -9.659 1.00 3.31 N ATOM 1326 CA ASP A 88 -0.049 34.624 -10.753 1.00 64.41 C ATOM 1327 C ASP A 88 0.513 35.957 -10.269 1.00 64.31 C ATOM 1328 O ASP A 88 0.516 36.261 -9.076 1.00 72.20 O ATOM 1329 CB ASP A 88 -1.433 34.833 -11.369 1.00 31.05 C ATOM 1330 CG ASP A 88 -1.568 34.175 -12.728 1.00 10.03 C ATOM 1331 OD1 ASP A 88 -0.853 33.183 -12.980 1.00 5.31 O ATOM 1332 OD2 ASP A 88 -2.389 34.652 -13.539 1.00 44.35 O ATOM 0 H ASP A 88 -0.505 34.038 -8.792 1.00 3.31 H new ATOM 0 HA ASP A 88 0.621 34.223 -11.513 1.00 64.41 H new ATOM 0 HB2 ASP A 88 -2.191 34.431 -10.697 1.00 31.05 H new ATOM 0 HB3 ASP A 88 -1.627 35.901 -11.465 1.00 31.05 H new ATOM 1337 N PRO A 89 1.003 36.772 -11.215 1.00 75.35 N ATOM 1338 CA PRO A 89 1.577 38.085 -10.909 1.00 51.24 C ATOM 1339 C PRO A 89 0.522 39.087 -10.453 1.00 51.34 C ATOM 1340 O PRO A 89 0.839 40.084 -9.805 1.00 25.44 O ATOM 1341 CB PRO A 89 2.190 38.523 -12.242 1.00 1.33 C ATOM 1342 CG PRO A 89 1.409 37.791 -13.277 1.00 71.14 C ATOM 1343 CD PRO A 89 1.032 36.474 -12.657 1.00 70.13 C ATOM 0 HA PRO A 89 2.294 38.036 -10.090 1.00 51.24 H new ATOM 0 HB2 PRO A 89 2.113 39.602 -12.378 1.00 1.33 H new ATOM 0 HB3 PRO A 89 3.249 38.270 -12.293 1.00 1.33 H new ATOM 0 HG2 PRO A 89 0.522 38.354 -13.567 1.00 71.14 H new ATOM 0 HG3 PRO A 89 2.001 37.642 -14.180 1.00 71.14 H new ATOM 0 HD2 PRO A 89 0.064 36.124 -13.015 1.00 70.13 H new ATOM 0 HD3 PRO A 89 1.759 35.696 -12.892 1.00 70.13 H new ATOM 1351 N GLN A 90 -0.733 38.816 -10.797 1.00 31.22 N ATOM 1352 CA GLN A 90 -1.834 39.695 -10.422 1.00 73.11 C ATOM 1353 C GLN A 90 -2.170 39.547 -8.942 1.00 24.24 C ATOM 1354 O GLN A 90 -2.359 40.538 -8.237 1.00 24.52 O ATOM 1355 CB GLN A 90 -3.070 39.389 -11.270 1.00 51.11 C ATOM 1356 CG GLN A 90 -4.122 40.486 -11.230 1.00 32.33 C ATOM 1357 CD GLN A 90 -5.418 40.076 -11.902 1.00 10.25 C ATOM 1358 OE1 GLN A 90 -6.368 39.657 -11.240 1.00 32.10 O ATOM 1359 NE2 GLN A 90 -5.464 40.196 -13.223 1.00 65.12 N ATOM 0 H GLN A 90 -1.012 37.995 -11.334 1.00 31.22 H new ATOM 0 HA GLN A 90 -1.522 40.723 -10.604 1.00 73.11 H new ATOM 0 HB2 GLN A 90 -2.761 39.231 -12.303 1.00 51.11 H new ATOM 0 HB3 GLN A 90 -3.516 38.457 -10.924 1.00 51.11 H new ATOM 0 HG2 GLN A 90 -4.324 40.753 -10.193 1.00 32.33 H new ATOM 0 HG3 GLN A 90 -3.730 41.378 -11.719 1.00 32.33 H new ATOM 0 HE21 GLN A 90 -4.653 40.548 -13.732 1.00 65.12 H new ATOM 0 HE22 GLN A 90 -6.310 39.936 -13.730 1.00 65.12 H new ATOM 1368 N GLU A 91 -2.242 38.303 -8.478 1.00 0.02 N ATOM 1369 CA GLU A 91 -2.556 38.026 -7.081 1.00 1.51 C ATOM 1370 C GLU A 91 -1.564 38.722 -6.152 1.00 74.15 C ATOM 1371 O GLU A 91 -1.955 39.358 -5.174 1.00 52.23 O ATOM 1372 CB GLU A 91 -2.543 36.519 -6.821 1.00 73.41 C ATOM 1373 CG GLU A 91 -3.628 36.057 -5.862 1.00 4.21 C ATOM 1374 CD GLU A 91 -3.534 36.732 -4.507 1.00 62.02 C ATOM 1375 OE1 GLU A 91 -2.522 36.518 -3.807 1.00 63.23 O ATOM 1376 OE2 GLU A 91 -4.472 37.473 -4.147 1.00 4.43 O ATOM 0 H GLU A 91 -2.087 37.472 -9.049 1.00 0.02 H new ATOM 0 HA GLU A 91 -3.554 38.414 -6.876 1.00 1.51 H new ATOM 0 HB2 GLU A 91 -2.660 35.994 -7.769 1.00 73.41 H new ATOM 0 HB3 GLU A 91 -1.570 36.237 -6.419 1.00 73.41 H new ATOM 0 HG2 GLU A 91 -4.605 36.262 -6.299 1.00 4.21 H new ATOM 0 HG3 GLU A 91 -3.557 34.977 -5.732 1.00 4.21 H new ATOM 1383 N ALA A 92 -0.279 38.595 -6.467 1.00 34.44 N ATOM 1384 CA ALA A 92 0.768 39.211 -5.662 1.00 43.34 C ATOM 1385 C ALA A 92 0.494 40.696 -5.448 1.00 34.10 C ATOM 1386 O ALA A 92 0.744 41.232 -4.369 1.00 51.51 O ATOM 1387 CB ALA A 92 2.125 39.014 -6.322 1.00 22.41 C ATOM 0 H ALA A 92 0.061 38.071 -7.273 1.00 34.44 H new ATOM 0 HA ALA A 92 0.775 38.725 -4.686 1.00 43.34 H new ATOM 0 HB1 ALA A 92 2.898 39.479 -5.710 1.00 22.41 H new ATOM 0 HB2 ALA A 92 2.331 37.948 -6.419 1.00 22.41 H new ATOM 0 HB3 ALA A 92 2.119 39.474 -7.310 1.00 22.41 H new ATOM 1393 N GLN A 93 -0.021 41.353 -6.482 1.00 53.11 N ATOM 1394 CA GLN A 93 -0.328 42.777 -6.406 1.00 32.52 C ATOM 1395 C GLN A 93 -1.487 43.033 -5.448 1.00 3.14 C ATOM 1396 O GLN A 93 -1.445 43.965 -4.645 1.00 51.22 O ATOM 1397 CB GLN A 93 -0.669 43.322 -7.794 1.00 24.51 C ATOM 1398 CG GLN A 93 0.142 44.548 -8.182 1.00 31.33 C ATOM 1399 CD GLN A 93 -0.495 45.841 -7.712 1.00 72.22 C ATOM 1400 OE1 GLN A 93 -1.713 45.922 -7.546 1.00 44.02 O ATOM 1401 NE2 GLN A 93 0.326 46.861 -7.495 1.00 44.11 N ATOM 0 H GLN A 93 -0.234 40.923 -7.382 1.00 53.11 H new ATOM 0 HA GLN A 93 0.554 43.293 -6.027 1.00 32.52 H new ATOM 0 HB2 GLN A 93 -0.504 42.538 -8.534 1.00 24.51 H new ATOM 0 HB3 GLN A 93 -1.729 43.573 -7.826 1.00 24.51 H new ATOM 0 HG2 GLN A 93 1.143 44.466 -7.759 1.00 31.33 H new ATOM 0 HG3 GLN A 93 0.255 44.576 -9.266 1.00 31.33 H new ATOM 0 HE21 GLN A 93 1.329 46.750 -7.645 1.00 44.11 H new ATOM 0 HE22 GLN A 93 -0.046 47.756 -7.178 1.00 44.11 H new ATOM 1410 N GLN A 94 -2.519 42.200 -5.538 1.00 45.32 N ATOM 1411 CA GLN A 94 -3.689 42.339 -4.679 1.00 62.44 C ATOM 1412 C GLN A 94 -3.303 42.215 -3.209 1.00 42.22 C ATOM 1413 O GLN A 94 -3.764 42.987 -2.368 1.00 35.24 O ATOM 1414 CB GLN A 94 -4.736 41.282 -5.034 1.00 61.55 C ATOM 1415 CG GLN A 94 -6.153 41.827 -5.101 1.00 51.43 C ATOM 1416 CD GLN A 94 -7.155 40.938 -4.391 1.00 40.53 C ATOM 1417 OE1 GLN A 94 -7.275 39.752 -4.697 1.00 32.33 O ATOM 1418 NE2 GLN A 94 -7.881 41.509 -3.437 1.00 10.00 N ATOM 0 H GLN A 94 -2.569 41.423 -6.196 1.00 45.32 H new ATOM 0 HA GLN A 94 -4.113 43.330 -4.842 1.00 62.44 H new ATOM 0 HB2 GLN A 94 -4.480 40.839 -5.996 1.00 61.55 H new ATOM 0 HB3 GLN A 94 -4.698 40.482 -4.294 1.00 61.55 H new ATOM 0 HG2 GLN A 94 -6.177 42.822 -4.656 1.00 51.43 H new ATOM 0 HG3 GLN A 94 -6.447 41.937 -6.145 1.00 51.43 H new ATOM 0 HE21 GLN A 94 -7.748 42.496 -3.217 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -8.572 40.961 -2.925 1.00 10.00 H new ATOM 1427 N THR A 95 -2.453 41.239 -2.905 1.00 41.13 N ATOM 1428 CA THR A 95 -2.006 41.013 -1.537 1.00 2.43 C ATOM 1429 C THR A 95 -1.101 42.144 -1.060 1.00 54.21 C ATOM 1430 O THR A 95 -1.076 42.475 0.126 1.00 14.11 O ATOM 1431 CB THR A 95 -1.251 39.677 -1.405 1.00 44.34 C ATOM 1432 OG1 THR A 95 -2.078 38.600 -1.860 1.00 2.34 O ATOM 1433 CG2 THR A 95 -0.834 39.430 0.037 1.00 53.43 C ATOM 0 H THR A 95 -2.060 40.592 -3.589 1.00 41.13 H new ATOM 0 HA THR A 95 -2.900 40.979 -0.915 1.00 2.43 H new ATOM 0 HB THR A 95 -0.353 39.730 -2.021 1.00 44.34 H new ATOM 0 HG1 THR A 95 -1.705 38.228 -2.686 1.00 2.34 H new ATOM 0 HG21 THR A 95 -0.303 38.481 0.105 1.00 53.43 H new ATOM 0 HG22 THR A 95 -0.180 40.236 0.370 1.00 53.43 H new ATOM 0 HG23 THR A 95 -1.720 39.396 0.671 1.00 53.43 H new ATOM 1441 N LEU A 96 -0.360 42.735 -1.991 1.00 20.50 N ATOM 1442 CA LEU A 96 0.546 43.830 -1.666 1.00 5.31 C ATOM 1443 C LEU A 96 -0.231 45.104 -1.347 1.00 23.51 C ATOM 1444 O LEU A 96 0.202 45.918 -0.533 1.00 4.31 O ATOM 1445 CB LEU A 96 1.509 44.084 -2.828 1.00 13.14 C ATOM 1446 CG LEU A 96 2.959 44.381 -2.445 1.00 41.22 C ATOM 1447 CD1 LEU A 96 3.025 45.539 -1.462 1.00 3.25 C ATOM 1448 CD2 LEU A 96 3.621 43.142 -1.859 1.00 15.52 C ATOM 0 H LEU A 96 -0.369 42.474 -2.977 1.00 20.50 H new ATOM 0 HA LEU A 96 1.118 43.545 -0.783 1.00 5.31 H new ATOM 0 HB2 LEU A 96 1.498 43.211 -3.480 1.00 13.14 H new ATOM 0 HB3 LEU A 96 1.129 44.923 -3.412 1.00 13.14 H new ATOM 0 HG LEU A 96 3.502 44.666 -3.346 1.00 41.22 H new ATOM 0 HD11 LEU A 96 4.065 45.736 -1.201 1.00 3.25 H new ATOM 0 HD12 LEU A 96 2.591 46.429 -1.918 1.00 3.25 H new ATOM 0 HD13 LEU A 96 2.467 45.284 -0.561 1.00 3.25 H new ATOM 0 HD21 LEU A 96 4.652 43.372 -1.592 1.00 15.52 H new ATOM 0 HD22 LEU A 96 3.078 42.826 -0.968 1.00 15.52 H new ATOM 0 HD23 LEU A 96 3.607 42.339 -2.596 1.00 15.52 H new ATOM 1460 N GLU A 97 -1.381 45.266 -1.993 1.00 33.13 N ATOM 1461 CA GLU A 97 -2.219 46.440 -1.776 1.00 70.40 C ATOM 1462 C GLU A 97 -2.886 46.386 -0.405 1.00 35.12 C ATOM 1463 O GLU A 97 -2.825 47.345 0.365 1.00 41.11 O ATOM 1464 CB GLU A 97 -3.284 46.543 -2.870 1.00 61.40 C ATOM 1465 CG GLU A 97 -4.089 47.830 -2.816 1.00 73.12 C ATOM 1466 CD GLU A 97 -5.416 47.659 -2.102 1.00 23.35 C ATOM 1467 OE1 GLU A 97 -6.257 46.878 -2.593 1.00 73.04 O ATOM 1468 OE2 GLU A 97 -5.612 48.305 -1.051 1.00 53.04 O ATOM 0 H GLU A 97 -1.754 44.600 -2.670 1.00 33.13 H new ATOM 0 HA GLU A 97 -1.581 47.323 -1.816 1.00 70.40 H new ATOM 0 HB2 GLU A 97 -2.801 46.467 -3.844 1.00 61.40 H new ATOM 0 HB3 GLU A 97 -3.964 45.695 -2.785 1.00 61.40 H new ATOM 0 HG2 GLU A 97 -3.505 48.599 -2.310 1.00 73.12 H new ATOM 0 HG3 GLU A 97 -4.270 48.184 -3.831 1.00 73.12 H new ATOM 1475 N ILE A 98 -3.524 45.259 -0.107 1.00 60.34 N ATOM 1476 CA ILE A 98 -4.202 45.080 1.170 1.00 33.52 C ATOM 1477 C ILE A 98 -3.226 45.213 2.334 1.00 14.33 C ATOM 1478 O ILE A 98 -3.564 45.767 3.380 1.00 10.11 O ATOM 1479 CB ILE A 98 -4.896 43.707 1.252 1.00 70.13 C ATOM 1480 CG1 ILE A 98 -5.570 43.532 2.614 1.00 54.01 C ATOM 1481 CG2 ILE A 98 -3.892 42.591 1.004 1.00 33.33 C ATOM 1482 CD1 ILE A 98 -6.498 42.339 2.680 1.00 23.23 C ATOM 0 H ILE A 98 -3.585 44.456 -0.733 1.00 60.34 H new ATOM 0 HA ILE A 98 -4.956 45.864 1.239 1.00 33.52 H new ATOM 0 HB ILE A 98 -5.663 43.657 0.480 1.00 70.13 H new ATOM 0 HG12 ILE A 98 -4.802 43.427 3.380 1.00 54.01 H new ATOM 0 HG13 ILE A 98 -6.134 44.434 2.850 1.00 54.01 H new ATOM 0 HG21 ILE A 98 -4.397 41.627 1.065 1.00 33.33 H new ATOM 0 HG22 ILE A 98 -3.454 42.709 0.013 1.00 33.33 H new ATOM 0 HG23 ILE A 98 -3.104 42.636 1.756 1.00 33.33 H new ATOM 0 HD11 ILE A 98 -6.940 42.277 3.674 1.00 23.23 H new ATOM 0 HD12 ILE A 98 -7.288 42.451 1.938 1.00 23.23 H new ATOM 0 HD13 ILE A 98 -5.935 41.428 2.476 1.00 23.23 H new ATOM 1494 N ALA A 99 -2.014 44.704 2.144 1.00 22.52 N ATOM 1495 CA ALA A 99 -0.987 44.769 3.177 1.00 51.43 C ATOM 1496 C ALA A 99 -0.480 46.196 3.357 1.00 54.32 C ATOM 1497 O ALA A 99 -0.355 46.683 4.480 1.00 35.42 O ATOM 1498 CB ALA A 99 0.166 43.837 2.835 1.00 53.11 C ATOM 0 H ALA A 99 -1.719 44.242 1.284 1.00 22.52 H new ATOM 0 HA ALA A 99 -1.433 44.447 4.118 1.00 51.43 H new ATOM 0 HB1 ALA A 99 0.925 43.896 3.615 1.00 53.11 H new ATOM 0 HB2 ALA A 99 -0.202 42.814 2.764 1.00 53.11 H new ATOM 0 HB3 ALA A 99 0.602 44.133 1.881 1.00 53.11 H new ATOM 1504 N GLU A 100 -0.190 46.861 2.243 1.00 44.20 N ATOM 1505 CA GLU A 100 0.305 48.232 2.280 1.00 43.42 C ATOM 1506 C GLU A 100 -0.741 49.173 2.872 1.00 25.53 C ATOM 1507 O GLU A 100 -0.415 50.071 3.648 1.00 63.23 O ATOM 1508 CB GLU A 100 0.687 48.698 0.873 1.00 3.23 C ATOM 1509 CG GLU A 100 1.986 48.096 0.364 1.00 21.33 C ATOM 1510 CD GLU A 100 3.188 48.976 0.648 1.00 71.32 C ATOM 1511 OE1 GLU A 100 3.174 49.688 1.673 1.00 55.40 O ATOM 1512 OE2 GLU A 100 4.143 48.951 -0.156 1.00 43.12 O ATOM 0 H GLU A 100 -0.289 46.473 1.305 1.00 44.20 H new ATOM 0 HA GLU A 100 1.190 48.254 2.916 1.00 43.42 H new ATOM 0 HB2 GLU A 100 -0.117 48.441 0.184 1.00 3.23 H new ATOM 0 HB3 GLU A 100 0.774 49.784 0.870 1.00 3.23 H new ATOM 0 HG2 GLU A 100 2.137 47.121 0.828 1.00 21.33 H new ATOM 0 HG3 GLU A 100 1.908 47.929 -0.710 1.00 21.33 H new ATOM 1519 N ALA A 101 -1.998 48.959 2.500 1.00 34.43 N ATOM 1520 CA ALA A 101 -3.092 49.785 2.995 1.00 34.12 C ATOM 1521 C ALA A 101 -3.180 49.726 4.516 1.00 34.34 C ATOM 1522 O ALA A 101 -3.272 50.756 5.183 1.00 75.34 O ATOM 1523 CB ALA A 101 -4.409 49.347 2.371 1.00 61.41 C ATOM 0 H ALA A 101 -2.284 48.220 1.857 1.00 34.43 H new ATOM 0 HA ALA A 101 -2.893 50.818 2.708 1.00 34.12 H new ATOM 0 HB1 ALA A 101 -5.217 49.973 2.750 1.00 61.41 H new ATOM 0 HB2 ALA A 101 -4.350 49.448 1.287 1.00 61.41 H new ATOM 0 HB3 ALA A 101 -4.605 48.306 2.628 1.00 61.41 H new ATOM 1529 N ASN A 102 -3.152 48.513 5.059 1.00 31.14 N ATOM 1530 CA ASN A 102 -3.230 48.320 6.503 1.00 71.32 C ATOM 1531 C ASN A 102 -1.984 48.866 7.193 1.00 51.31 C ATOM 1532 O ASN A 102 -2.066 49.454 8.272 1.00 10.22 O ATOM 1533 CB ASN A 102 -3.399 46.835 6.831 1.00 21.13 C ATOM 1534 CG ASN A 102 -4.854 46.410 6.856 1.00 14.12 C ATOM 1535 OD1 ASN A 102 -5.361 45.951 7.880 1.00 13.41 O ATOM 1536 ND2 ASN A 102 -5.534 46.561 5.725 1.00 30.04 N ATOM 0 H ASN A 102 -3.076 47.649 4.521 1.00 31.14 H new ATOM 0 HA ASN A 102 -4.097 48.868 6.872 1.00 71.32 H new ATOM 0 HB2 ASN A 102 -2.862 46.239 6.093 1.00 21.13 H new ATOM 0 HB3 ASN A 102 -2.946 46.626 7.800 1.00 21.13 H new ATOM 0 HD21 ASN A 102 -6.517 46.292 5.681 1.00 30.04 H new ATOM 0 HD22 ASN A 102 -5.073 46.946 4.900 1.00 30.04 H new ATOM 1543 N LEU A 103 -0.831 48.669 6.563 1.00 13.10 N ATOM 1544 CA LEU A 103 0.433 49.143 7.115 1.00 22.43 C ATOM 1545 C LEU A 103 0.472 50.667 7.158 1.00 31.12 C ATOM 1546 O LEU A 103 1.162 51.257 7.990 1.00 70.04 O ATOM 1547 CB LEU A 103 1.605 48.614 6.285 1.00 14.54 C ATOM 1548 CG LEU A 103 2.995 49.087 6.710 1.00 3.13 C ATOM 1549 CD1 LEU A 103 3.944 47.906 6.840 1.00 20.33 C ATOM 1550 CD2 LEU A 103 3.540 50.104 5.717 1.00 34.24 C ATOM 0 H LEU A 103 -0.746 48.184 5.670 1.00 13.10 H new ATOM 0 HA LEU A 103 0.519 48.768 8.135 1.00 22.43 H new ATOM 0 HB2 LEU A 103 1.587 47.525 6.321 1.00 14.54 H new ATOM 0 HB3 LEU A 103 1.447 48.902 5.246 1.00 14.54 H new ATOM 0 HG LEU A 103 2.911 49.569 7.684 1.00 3.13 H new ATOM 0 HD11 LEU A 103 4.929 48.262 7.143 1.00 20.33 H new ATOM 0 HD12 LEU A 103 3.562 47.213 7.590 1.00 20.33 H new ATOM 0 HD13 LEU A 103 4.023 47.395 5.880 1.00 20.33 H new ATOM 0 HD21 LEU A 103 4.530 50.429 6.036 1.00 34.24 H new ATOM 0 HD22 LEU A 103 3.609 49.648 4.729 1.00 34.24 H new ATOM 0 HD23 LEU A 103 2.872 50.964 5.674 1.00 34.24 H new ATOM 1562 N ARG A 104 -0.275 51.298 6.258 1.00 11.13 N ATOM 1563 CA ARG A 104 -0.327 52.754 6.194 1.00 21.31 C ATOM 1564 C ARG A 104 -0.705 53.345 7.549 1.00 31.41 C ATOM 1565 O ARG A 104 -0.335 54.474 7.871 1.00 34.14 O ATOM 1566 CB ARG A 104 -1.332 53.203 5.131 1.00 5.15 C ATOM 1567 CG ARG A 104 -1.105 54.624 4.641 1.00 21.23 C ATOM 1568 CD ARG A 104 -0.539 54.643 3.230 1.00 24.41 C ATOM 1569 NE ARG A 104 0.475 55.680 3.061 1.00 42.11 N ATOM 1570 CZ ARG A 104 1.360 55.689 2.070 1.00 73.42 C ATOM 1571 NH1 ARG A 104 1.355 54.721 1.164 1.00 74.51 N ATOM 1572 NH2 ARG A 104 2.251 56.667 1.983 1.00 5.42 N ATOM 0 H ARG A 104 -0.852 50.824 5.563 1.00 11.13 H new ATOM 0 HA ARG A 104 0.665 53.117 5.923 1.00 21.31 H new ATOM 0 HB2 ARG A 104 -1.279 52.522 4.282 1.00 5.15 H new ATOM 0 HB3 ARG A 104 -2.340 53.125 5.539 1.00 5.15 H new ATOM 0 HG2 ARG A 104 -2.047 55.173 4.664 1.00 21.23 H new ATOM 0 HG3 ARG A 104 -0.420 55.138 5.316 1.00 21.23 H new ATOM 0 HD2 ARG A 104 -0.104 53.670 3.001 1.00 24.41 H new ATOM 0 HD3 ARG A 104 -1.347 54.807 2.517 1.00 24.41 H new ATOM 0 HE ARG A 104 0.506 56.439 3.741 1.00 42.11 H new ATOM 0 HH11 ARG A 104 0.671 53.967 1.227 1.00 74.51 H new ATOM 0 HH12 ARG A 104 2.035 54.730 0.404 1.00 74.51 H new ATOM 0 HH21 ARG A 104 2.258 57.414 2.678 1.00 5.42 H new ATOM 0 HH22 ARG A 104 2.930 56.672 1.222 1.00 5.42 H new ATOM 1586 N LYS A 105 -1.445 52.574 8.339 1.00 23.32 N ATOM 1587 CA LYS A 105 -1.873 53.019 9.660 1.00 72.11 C ATOM 1588 C LYS A 105 -1.231 52.173 10.754 1.00 22.43 C ATOM 1589 O LYS A 105 -0.860 52.684 11.810 1.00 10.33 O ATOM 1590 CB LYS A 105 -3.398 52.948 9.775 1.00 43.43 C ATOM 1591 CG LYS A 105 -4.060 54.307 9.919 1.00 13.51 C ATOM 1592 CD LYS A 105 -4.021 54.797 11.357 1.00 44.21 C ATOM 1593 CE LYS A 105 -5.078 54.112 12.208 1.00 15.14 C ATOM 1594 NZ LYS A 105 -5.621 55.021 13.256 1.00 31.21 N ATOM 0 H LYS A 105 -1.761 51.637 8.087 1.00 23.32 H new ATOM 0 HA LYS A 105 -1.552 54.053 9.789 1.00 72.11 H new ATOM 0 HB2 LYS A 105 -3.798 52.450 8.892 1.00 43.43 H new ATOM 0 HB3 LYS A 105 -3.661 52.332 10.635 1.00 43.43 H new ATOM 0 HG2 LYS A 105 -3.557 55.028 9.274 1.00 13.51 H new ATOM 0 HG3 LYS A 105 -5.095 54.246 9.582 1.00 13.51 H new ATOM 0 HD2 LYS A 105 -3.034 54.609 11.780 1.00 44.21 H new ATOM 0 HD3 LYS A 105 -4.177 55.876 11.379 1.00 44.21 H new ATOM 0 HE2 LYS A 105 -5.891 53.767 11.569 1.00 15.14 H new ATOM 0 HE3 LYS A 105 -4.648 53.229 12.681 1.00 15.14 H new ATOM 0 HZ1 LYS A 105 -6.339 54.517 13.815 1.00 31.21 H new ATOM 0 HZ2 LYS A 105 -4.849 55.330 13.881 1.00 31.21 H new ATOM 0 HZ3 LYS A 105 -6.054 55.852 12.804 1.00 31.21 H new ATOM 1608 N ALA A 106 -1.101 50.876 10.494 1.00 71.22 N ATOM 1609 CA ALA A 106 -0.500 49.960 11.455 1.00 31.14 C ATOM 1610 C ALA A 106 1.011 49.880 11.267 1.00 70.11 C ATOM 1611 O ALA A 106 1.587 50.627 10.476 1.00 31.44 O ATOM 1612 CB ALA A 106 -1.124 48.578 11.329 1.00 63.13 C ATOM 0 H ALA A 106 -1.404 50.436 9.625 1.00 71.22 H new ATOM 0 HA ALA A 106 -0.695 50.344 12.456 1.00 31.14 H new ATOM 0 HB1 ALA A 106 -0.665 47.904 12.053 1.00 63.13 H new ATOM 0 HB2 ALA A 106 -2.195 48.643 11.522 1.00 63.13 H new ATOM 0 HB3 ALA A 106 -0.959 48.195 10.322 1.00 63.13 H new ATOM 1618 N GLU A 107 1.647 48.970 11.999 1.00 52.24 N ATOM 1619 CA GLU A 107 3.092 48.795 11.912 1.00 52.01 C ATOM 1620 C GLU A 107 3.561 47.678 12.839 1.00 30.42 C ATOM 1621 O GLU A 107 3.945 47.924 13.982 1.00 53.23 O ATOM 1622 CB GLU A 107 3.808 50.100 12.265 1.00 42.20 C ATOM 1623 CG GLU A 107 3.310 50.739 13.550 1.00 3.34 C ATOM 1624 CD GLU A 107 4.436 51.303 14.396 1.00 51.03 C ATOM 1625 OE1 GLU A 107 5.395 50.555 14.680 1.00 0.32 O ATOM 1626 OE2 GLU A 107 4.358 52.491 14.773 1.00 70.22 O ATOM 0 H GLU A 107 1.185 48.344 12.658 1.00 52.24 H new ATOM 0 HA GLU A 107 3.338 48.520 10.886 1.00 52.01 H new ATOM 0 HB2 GLU A 107 4.877 49.905 12.356 1.00 42.20 H new ATOM 0 HB3 GLU A 107 3.682 50.807 11.445 1.00 42.20 H new ATOM 0 HG2 GLU A 107 2.609 51.537 13.306 1.00 3.34 H new ATOM 0 HG3 GLU A 107 2.760 49.998 14.131 1.00 3.34 H new ATOM 1633 N GLY A 108 3.526 46.447 12.338 1.00 64.52 N ATOM 1634 CA GLY A 108 3.950 45.309 13.134 1.00 55.24 C ATOM 1635 C GLY A 108 4.152 44.060 12.299 1.00 41.44 C ATOM 1636 O GLY A 108 3.362 43.771 11.401 1.00 35.21 O ATOM 0 H GLY A 108 3.212 46.217 11.395 1.00 64.52 H new ATOM 0 HA2 GLY A 108 4.880 45.554 13.646 1.00 55.24 H new ATOM 0 HA3 GLY A 108 3.205 45.111 13.904 1.00 55.24 H new ATOM 1640 N ALA A 109 5.215 43.320 12.593 1.00 24.42 N ATOM 1641 CA ALA A 109 5.519 42.095 11.863 1.00 3.21 C ATOM 1642 C ALA A 109 4.372 41.096 11.965 1.00 31.02 C ATOM 1643 O ALA A 109 3.941 40.527 10.962 1.00 15.22 O ATOM 1644 CB ALA A 109 6.808 41.477 12.383 1.00 23.44 C ATOM 0 H ALA A 109 5.881 43.547 13.332 1.00 24.42 H new ATOM 0 HA ALA A 109 5.650 42.351 10.812 1.00 3.21 H new ATOM 0 HB1 ALA A 109 7.023 40.563 11.829 1.00 23.44 H new ATOM 0 HB2 ALA A 109 7.629 42.182 12.252 1.00 23.44 H new ATOM 0 HB3 ALA A 109 6.698 41.242 13.442 1.00 23.44 H new ATOM 1650 N ARG A 110 3.883 40.886 13.183 1.00 55.41 N ATOM 1651 CA ARG A 110 2.786 39.954 13.416 1.00 62.13 C ATOM 1652 C ARG A 110 1.571 40.321 12.569 1.00 42.12 C ATOM 1653 O ARG A 110 0.885 39.447 12.041 1.00 74.14 O ATOM 1654 CB ARG A 110 2.404 39.942 14.897 1.00 41.31 C ATOM 1655 CG ARG A 110 2.046 38.562 15.423 1.00 73.03 C ATOM 1656 CD ARG A 110 2.580 38.346 16.830 1.00 70.11 C ATOM 1657 NE ARG A 110 4.039 38.385 16.873 1.00 2.25 N ATOM 1658 CZ ARG A 110 4.741 38.388 18.001 1.00 10.13 C ATOM 1659 NH1 ARG A 110 4.120 38.354 19.172 1.00 22.23 N ATOM 1660 NH2 ARG A 110 6.067 38.425 17.959 1.00 33.12 N ATOM 0 H ARG A 110 4.229 41.349 14.024 1.00 55.41 H new ATOM 0 HA ARG A 110 3.122 38.958 13.127 1.00 62.13 H new ATOM 0 HB2 ARG A 110 3.234 40.340 15.481 1.00 41.31 H new ATOM 0 HB3 ARG A 110 1.557 40.611 15.050 1.00 41.31 H new ATOM 0 HG2 ARG A 110 0.963 38.441 15.421 1.00 73.03 H new ATOM 0 HG3 ARG A 110 2.453 37.801 14.757 1.00 73.03 H new ATOM 0 HD2 ARG A 110 2.177 39.112 17.492 1.00 70.11 H new ATOM 0 HD3 ARG A 110 2.232 37.384 17.206 1.00 70.11 H new ATOM 0 HE ARG A 110 4.547 38.411 15.989 1.00 2.25 H new ATOM 0 HH11 ARG A 110 3.101 38.325 19.208 1.00 22.23 H new ATOM 0 HH12 ARG A 110 4.661 38.356 20.037 1.00 22.23 H new ATOM 0 HH21 ARG A 110 6.548 38.451 17.060 1.00 33.12 H new ATOM 0 HH22 ARG A 110 6.605 38.427 18.826 1.00 33.12 H new ATOM 1674 N GLN A 111 1.313 41.619 12.445 1.00 33.13 N ATOM 1675 CA GLN A 111 0.180 42.101 11.664 1.00 71.32 C ATOM 1676 C GLN A 111 0.266 41.611 10.222 1.00 52.51 C ATOM 1677 O GLN A 111 -0.722 41.147 9.653 1.00 60.54 O ATOM 1678 CB GLN A 111 0.126 43.629 11.694 1.00 53.21 C ATOM 1679 CG GLN A 111 0.180 44.212 13.097 1.00 42.43 C ATOM 1680 CD GLN A 111 -0.504 45.562 13.195 1.00 71.43 C ATOM 1681 OE1 GLN A 111 0.132 46.573 13.491 1.00 44.34 O ATOM 1682 NE2 GLN A 111 -1.808 45.584 12.946 1.00 73.31 N ATOM 0 H GLN A 111 1.873 42.355 12.875 1.00 33.13 H new ATOM 0 HA GLN A 111 -0.732 41.704 12.110 1.00 71.32 H new ATOM 0 HB2 GLN A 111 0.958 44.025 11.113 1.00 53.21 H new ATOM 0 HB3 GLN A 111 -0.790 43.962 11.206 1.00 53.21 H new ATOM 0 HG2 GLN A 111 -0.292 43.518 13.793 1.00 42.43 H new ATOM 0 HG3 GLN A 111 1.221 44.313 13.404 1.00 42.43 H new ATOM 0 HE21 GLN A 111 -2.296 44.721 12.704 1.00 73.31 H new ATOM 0 HE22 GLN A 111 -2.322 46.464 12.997 1.00 73.31 H new ATOM 1691 N LYS A 112 1.453 41.719 9.635 1.00 2.55 N ATOM 1692 CA LYS A 112 1.670 41.288 8.260 1.00 72.52 C ATOM 1693 C LYS A 112 1.386 39.797 8.107 1.00 62.44 C ATOM 1694 O LYS A 112 0.784 39.368 7.122 1.00 42.15 O ATOM 1695 CB LYS A 112 3.106 41.591 7.828 1.00 4.14 C ATOM 1696 CG LYS A 112 3.342 43.052 7.484 1.00 24.44 C ATOM 1697 CD LYS A 112 2.538 43.475 6.267 1.00 60.43 C ATOM 1698 CE LYS A 112 1.687 44.701 6.559 1.00 33.45 C ATOM 1699 NZ LYS A 112 0.547 44.382 7.463 1.00 21.54 N ATOM 0 H LYS A 112 2.281 42.102 10.092 1.00 2.55 H new ATOM 0 HA LYS A 112 0.981 41.840 7.620 1.00 72.52 H new ATOM 0 HB2 LYS A 112 3.786 41.300 8.628 1.00 4.14 H new ATOM 0 HB3 LYS A 112 3.353 40.978 6.961 1.00 4.14 H new ATOM 0 HG2 LYS A 112 3.070 43.676 8.336 1.00 24.44 H new ATOM 0 HG3 LYS A 112 4.403 43.215 7.295 1.00 24.44 H new ATOM 0 HD2 LYS A 112 3.214 43.689 5.439 1.00 60.43 H new ATOM 0 HD3 LYS A 112 1.897 42.653 5.950 1.00 60.43 H new ATOM 0 HE2 LYS A 112 2.307 45.473 7.015 1.00 33.45 H new ATOM 0 HE3 LYS A 112 1.305 45.109 5.623 1.00 33.45 H new ATOM 0 HZ1 LYS A 112 -0.009 45.243 7.638 1.00 21.54 H new ATOM 0 HZ2 LYS A 112 -0.059 43.663 7.018 1.00 21.54 H new ATOM 0 HZ3 LYS A 112 0.912 44.016 8.366 1.00 21.54 H new ATOM 1713 N ILE A 113 1.822 39.012 9.087 1.00 51.34 N ATOM 1714 CA ILE A 113 1.612 37.570 9.061 1.00 51.22 C ATOM 1715 C ILE A 113 0.128 37.229 9.148 1.00 2.01 C ATOM 1716 O ILE A 113 -0.367 36.378 8.410 1.00 50.32 O ATOM 1717 CB ILE A 113 2.356 36.872 10.214 1.00 3.24 C ATOM 1718 CG1 ILE A 113 3.842 37.238 10.187 1.00 13.01 C ATOM 1719 CG2 ILE A 113 2.175 35.364 10.126 1.00 11.21 C ATOM 1720 CD1 ILE A 113 4.540 36.834 8.907 1.00 10.44 C ATOM 0 H ILE A 113 2.323 39.351 9.909 1.00 51.34 H new ATOM 0 HA ILE A 113 2.010 37.210 8.112 1.00 51.22 H new ATOM 0 HB ILE A 113 1.934 37.214 11.159 1.00 3.24 H new ATOM 0 HG12 ILE A 113 3.945 38.314 10.324 1.00 13.01 H new ATOM 0 HG13 ILE A 113 4.341 36.760 11.030 1.00 13.01 H new ATOM 0 HG21 ILE A 113 2.707 34.885 10.948 1.00 11.21 H new ATOM 0 HG22 ILE A 113 1.114 35.121 10.189 1.00 11.21 H new ATOM 0 HG23 ILE A 113 2.574 35.004 9.177 1.00 11.21 H new ATOM 0 HD11 ILE A 113 5.589 37.124 8.958 1.00 10.44 H new ATOM 0 HD12 ILE A 113 4.468 35.754 8.779 1.00 10.44 H new ATOM 0 HD13 ILE A 113 4.066 37.332 8.061 1.00 10.44 H new ATOM 1732 N GLU A 114 -0.576 37.900 10.054 1.00 4.34 N ATOM 1733 CA GLU A 114 -2.004 37.668 10.237 1.00 44.32 C ATOM 1734 C GLU A 114 -2.769 37.948 8.947 1.00 74.11 C ATOM 1735 O GLU A 114 -3.707 37.230 8.601 1.00 13.14 O ATOM 1736 CB GLU A 114 -2.546 38.548 11.366 1.00 64.34 C ATOM 1737 CG GLU A 114 -3.958 38.186 11.794 1.00 3.03 C ATOM 1738 CD GLU A 114 -3.990 37.052 12.800 1.00 25.31 C ATOM 1739 OE1 GLU A 114 -4.022 35.879 12.372 1.00 15.21 O ATOM 1740 OE2 GLU A 114 -3.981 37.337 14.016 1.00 52.31 O ATOM 0 H GLU A 114 -0.181 38.608 10.673 1.00 4.34 H new ATOM 0 HA GLU A 114 -2.145 36.621 10.503 1.00 44.32 H new ATOM 0 HB2 GLU A 114 -1.883 38.469 12.227 1.00 64.34 H new ATOM 0 HB3 GLU A 114 -2.528 39.589 11.044 1.00 64.34 H new ATOM 0 HG2 GLU A 114 -4.439 39.064 12.226 1.00 3.03 H new ATOM 0 HG3 GLU A 114 -4.539 37.904 10.916 1.00 3.03 H new ATOM 1747 N ALA A 115 -2.362 38.997 8.240 1.00 73.14 N ATOM 1748 CA ALA A 115 -3.008 39.371 6.988 1.00 52.33 C ATOM 1749 C ALA A 115 -2.668 38.383 5.878 1.00 73.35 C ATOM 1750 O ALA A 115 -3.512 38.059 5.043 1.00 64.43 O ATOM 1751 CB ALA A 115 -2.601 40.781 6.585 1.00 71.12 C ATOM 0 H ALA A 115 -1.588 39.603 8.513 1.00 73.14 H new ATOM 0 HA ALA A 115 -4.087 39.346 7.143 1.00 52.33 H new ATOM 0 HB1 ALA A 115 -3.091 41.047 5.648 1.00 71.12 H new ATOM 0 HB2 ALA A 115 -2.901 41.483 7.363 1.00 71.12 H new ATOM 0 HB3 ALA A 115 -1.520 40.824 6.454 1.00 71.12 H new ATOM 1757 N ASN A 116 -1.427 37.908 5.874 1.00 30.53 N ATOM 1758 CA ASN A 116 -0.975 36.956 4.865 1.00 14.41 C ATOM 1759 C ASN A 116 -1.733 35.638 4.983 1.00 73.51 C ATOM 1760 O ASN A 116 -2.377 35.191 4.032 1.00 43.31 O ATOM 1761 CB ASN A 116 0.528 36.708 5.005 1.00 72.10 C ATOM 1762 CG ASN A 116 1.311 37.211 3.807 1.00 32.45 C ATOM 1763 OD1 ASN A 116 0.972 36.915 2.662 1.00 73.25 O ATOM 1764 ND2 ASN A 116 2.365 37.975 4.069 1.00 71.15 N ATOM 0 H ASN A 116 -0.716 38.167 6.558 1.00 30.53 H new ATOM 0 HA ASN A 116 -1.176 37.383 3.882 1.00 14.41 H new ATOM 0 HB2 ASN A 116 0.892 37.200 5.907 1.00 72.10 H new ATOM 0 HB3 ASN A 116 0.707 35.640 5.130 1.00 72.10 H new ATOM 0 HD21 ASN A 116 2.931 38.343 3.304 1.00 71.15 H new ATOM 0 HD22 ASN A 116 2.608 38.194 5.035 1.00 71.15 H new ATOM 1771 N LEU A 117 -1.653 35.018 6.155 1.00 15.45 N ATOM 1772 CA LEU A 117 -2.332 33.750 6.399 1.00 13.40 C ATOM 1773 C LEU A 117 -3.832 33.880 6.153 1.00 71.40 C ATOM 1774 O LEU A 117 -4.477 32.943 5.683 1.00 31.45 O ATOM 1775 CB LEU A 117 -2.078 33.280 7.832 1.00 23.01 C ATOM 1776 CG LEU A 117 -2.632 34.175 8.941 1.00 41.31 C ATOM 1777 CD1 LEU A 117 -4.072 33.802 9.259 1.00 44.45 C ATOM 1778 CD2 LEU A 117 -1.766 34.077 10.188 1.00 0.34 C ATOM 0 H LEU A 117 -1.124 35.373 6.952 1.00 15.45 H new ATOM 0 HA LEU A 117 -1.931 33.012 5.705 1.00 13.40 H new ATOM 0 HB2 LEU A 117 -2.507 32.285 7.948 1.00 23.01 H new ATOM 0 HB3 LEU A 117 -1.002 33.182 7.975 1.00 23.01 H new ATOM 0 HG LEU A 117 -2.615 35.207 8.591 1.00 41.31 H new ATOM 0 HD11 LEU A 117 -4.449 34.450 10.050 1.00 44.45 H new ATOM 0 HD12 LEU A 117 -4.685 33.925 8.366 1.00 44.45 H new ATOM 0 HD13 LEU A 117 -4.115 32.764 9.588 1.00 44.45 H new ATOM 0 HD21 LEU A 117 -2.175 34.721 10.967 1.00 0.34 H new ATOM 0 HD22 LEU A 117 -1.751 33.046 10.540 1.00 0.34 H new ATOM 0 HD23 LEU A 117 -0.750 34.395 9.952 1.00 0.34 H new ATOM 1790 N ALA A 118 -4.380 35.048 6.471 1.00 33.44 N ATOM 1791 CA ALA A 118 -5.803 35.301 6.281 1.00 40.10 C ATOM 1792 C ALA A 118 -6.203 35.116 4.821 1.00 1.31 C ATOM 1793 O ALA A 118 -7.137 34.375 4.511 1.00 24.25 O ATOM 1794 CB ALA A 118 -6.157 36.703 6.754 1.00 53.11 C ATOM 0 H ALA A 118 -3.860 35.834 6.861 1.00 33.44 H new ATOM 0 HA ALA A 118 -6.359 34.577 6.877 1.00 40.10 H new ATOM 0 HB1 ALA A 118 -7.223 36.879 6.606 1.00 53.11 H new ATOM 0 HB2 ALA A 118 -5.916 36.801 7.813 1.00 53.11 H new ATOM 0 HB3 ALA A 118 -5.586 37.435 6.182 1.00 53.11 H new ATOM 1800 N LEU A 119 -5.492 35.795 3.927 1.00 20.15 N ATOM 1801 CA LEU A 119 -5.773 35.706 2.499 1.00 53.12 C ATOM 1802 C LEU A 119 -5.632 34.270 2.004 1.00 11.03 C ATOM 1803 O LEU A 119 -6.425 33.804 1.186 1.00 13.01 O ATOM 1804 CB LEU A 119 -4.831 36.622 1.715 1.00 15.25 C ATOM 1805 CG LEU A 119 -5.497 37.586 0.732 1.00 4.13 C ATOM 1806 CD1 LEU A 119 -5.679 38.955 1.368 1.00 13.42 C ATOM 1807 CD2 LEU A 119 -4.677 37.694 -0.545 1.00 51.34 C ATOM 0 H LEU A 119 -4.717 36.413 4.166 1.00 20.15 H new ATOM 0 HA LEU A 119 -6.802 36.028 2.336 1.00 53.12 H new ATOM 0 HB2 LEU A 119 -4.248 37.206 2.427 1.00 15.25 H new ATOM 0 HB3 LEU A 119 -4.128 35.999 1.162 1.00 15.25 H new ATOM 0 HG LEU A 119 -6.481 37.193 0.477 1.00 4.13 H new ATOM 0 HD11 LEU A 119 -6.154 39.628 0.654 1.00 13.42 H new ATOM 0 HD12 LEU A 119 -6.307 38.864 2.254 1.00 13.42 H new ATOM 0 HD13 LEU A 119 -4.706 39.356 1.652 1.00 13.42 H new ATOM 0 HD21 LEU A 119 -5.165 38.384 -1.234 1.00 51.34 H new ATOM 0 HD22 LEU A 119 -3.680 38.064 -0.307 1.00 51.34 H new ATOM 0 HD23 LEU A 119 -4.598 36.712 -1.011 1.00 51.34 H new ATOM 1819 N ARG A 120 -4.619 33.573 2.508 1.00 43.22 N ATOM 1820 CA ARG A 120 -4.374 32.190 2.118 1.00 33.20 C ATOM 1821 C ARG A 120 -5.571 31.308 2.462 1.00 15.51 C ATOM 1822 O ARG A 120 -6.077 30.572 1.615 1.00 40.55 O ATOM 1823 CB ARG A 120 -3.119 31.657 2.811 1.00 60.52 C ATOM 1824 CG ARG A 120 -1.931 32.602 2.731 1.00 33.33 C ATOM 1825 CD ARG A 120 -0.686 31.890 2.227 1.00 43.11 C ATOM 1826 NE ARG A 120 0.539 32.538 2.688 1.00 23.53 N ATOM 1827 CZ ARG A 120 1.722 32.371 2.108 1.00 63.34 C ATOM 1828 NH1 ARG A 120 1.839 31.582 1.049 1.00 63.35 N ATOM 1829 NH2 ARG A 120 2.791 32.994 2.586 1.00 4.30 N ATOM 0 H ARG A 120 -3.955 33.944 3.187 1.00 43.22 H new ATOM 0 HA ARG A 120 -4.224 32.164 1.039 1.00 33.20 H new ATOM 0 HB2 ARG A 120 -3.348 31.462 3.859 1.00 60.52 H new ATOM 0 HB3 ARG A 120 -2.844 30.702 2.362 1.00 60.52 H new ATOM 0 HG2 ARG A 120 -2.170 33.433 2.067 1.00 33.33 H new ATOM 0 HG3 ARG A 120 -1.735 33.026 3.716 1.00 33.33 H new ATOM 0 HD2 ARG A 120 -0.698 30.854 2.567 1.00 43.11 H new ATOM 0 HD3 ARG A 120 -0.697 31.868 1.137 1.00 43.11 H new ATOM 0 HE ARG A 120 0.483 33.153 3.500 1.00 23.53 H new ATOM 0 HH11 ARG A 120 1.019 31.102 0.678 1.00 63.35 H new ATOM 0 HH12 ARG A 120 2.749 31.455 0.605 1.00 63.35 H new ATOM 0 HH21 ARG A 120 2.705 33.602 3.400 1.00 4.30 H new ATOM 0 HH22 ARG A 120 3.699 32.865 2.139 1.00 4.30 H new ATOM 1843 N ARG A 121 -6.019 31.389 3.711 1.00 71.51 N ATOM 1844 CA ARG A 121 -7.155 30.597 4.167 1.00 13.25 C ATOM 1845 C ARG A 121 -8.410 30.936 3.368 1.00 61.53 C ATOM 1846 O ARG A 121 -9.287 30.092 3.183 1.00 65.21 O ATOM 1847 CB ARG A 121 -7.406 30.839 5.657 1.00 35.50 C ATOM 1848 CG ARG A 121 -8.111 29.684 6.351 1.00 50.22 C ATOM 1849 CD ARG A 121 -8.777 30.133 7.642 1.00 0.10 C ATOM 1850 NE ARG A 121 -7.803 30.582 8.633 1.00 43.20 N ATOM 1851 CZ ARG A 121 -8.130 30.980 9.857 1.00 22.25 C ATOM 1852 NH1 ARG A 121 -9.399 30.984 10.240 1.00 73.41 N ATOM 1853 NH2 ARG A 121 -7.186 31.374 10.703 1.00 41.34 N ATOM 0 H ARG A 121 -5.613 31.995 4.424 1.00 71.51 H new ATOM 0 HA ARG A 121 -6.919 29.544 4.011 1.00 13.25 H new ATOM 0 HB2 ARG A 121 -6.453 31.022 6.152 1.00 35.50 H new ATOM 0 HB3 ARG A 121 -8.005 31.742 5.774 1.00 35.50 H new ATOM 0 HG2 ARG A 121 -8.860 29.259 5.683 1.00 50.22 H new ATOM 0 HG3 ARG A 121 -7.392 28.894 6.567 1.00 50.22 H new ATOM 0 HD2 ARG A 121 -9.475 30.942 7.427 1.00 0.10 H new ATOM 0 HD3 ARG A 121 -9.360 29.310 8.054 1.00 0.10 H new ATOM 0 HE ARG A 121 -6.817 30.590 8.371 1.00 43.20 H new ATOM 0 HH11 ARG A 121 -10.128 30.681 9.594 1.00 73.41 H new ATOM 0 HH12 ARG A 121 -9.647 31.290 11.181 1.00 73.41 H new ATOM 0 HH21 ARG A 121 -6.208 31.371 10.413 1.00 41.34 H new ATOM 0 HH22 ARG A 121 -7.439 31.679 11.643 1.00 41.34 H new ATOM 1867 N ALA A 122 -8.488 32.176 2.896 1.00 34.43 N ATOM 1868 CA ALA A 122 -9.634 32.625 2.116 1.00 53.04 C ATOM 1869 C ALA A 122 -9.592 32.056 0.701 1.00 12.24 C ATOM 1870 O ALA A 122 -10.590 31.535 0.202 1.00 45.33 O ATOM 1871 CB ALA A 122 -9.681 34.145 2.074 1.00 50.32 C ATOM 0 H ALA A 122 -7.771 32.887 3.040 1.00 34.43 H new ATOM 0 HA ALA A 122 -10.538 32.258 2.601 1.00 53.04 H new ATOM 0 HB1 ALA A 122 -10.542 34.466 1.488 1.00 50.32 H new ATOM 0 HB2 ALA A 122 -9.767 34.535 3.088 1.00 50.32 H new ATOM 0 HB3 ALA A 122 -8.768 34.525 1.615 1.00 50.32 H new ATOM 1877 N ARG A 123 -8.432 32.160 0.061 1.00 32.01 N ATOM 1878 CA ARG A 123 -8.261 31.657 -1.297 1.00 13.33 C ATOM 1879 C ARG A 123 -8.703 30.200 -1.397 1.00 11.24 C ATOM 1880 O ARG A 123 -9.350 29.801 -2.365 1.00 72.33 O ATOM 1881 CB ARG A 123 -6.801 31.790 -1.732 1.00 61.33 C ATOM 1882 CG ARG A 123 -6.631 32.068 -3.217 1.00 1.02 C ATOM 1883 CD ARG A 123 -5.408 32.932 -3.485 1.00 73.53 C ATOM 1884 NE ARG A 123 -5.161 33.101 -4.915 1.00 20.13 N ATOM 1885 CZ ARG A 123 -5.929 33.835 -5.712 1.00 13.25 C ATOM 1886 NH1 ARG A 123 -6.988 34.465 -5.221 1.00 2.20 N ATOM 1887 NH2 ARG A 123 -5.639 33.941 -7.002 1.00 31.10 N ATOM 0 H ARG A 123 -7.597 32.588 0.461 1.00 32.01 H new ATOM 0 HA ARG A 123 -8.886 32.254 -1.961 1.00 13.33 H new ATOM 0 HB2 ARG A 123 -6.333 32.595 -1.164 1.00 61.33 H new ATOM 0 HB3 ARG A 123 -6.270 30.872 -1.480 1.00 61.33 H new ATOM 0 HG2 ARG A 123 -6.537 31.125 -3.756 1.00 1.02 H new ATOM 0 HG3 ARG A 123 -7.521 32.567 -3.599 1.00 1.02 H new ATOM 0 HD2 ARG A 123 -5.546 33.909 -3.023 1.00 73.53 H new ATOM 0 HD3 ARG A 123 -4.534 32.479 -3.017 1.00 73.53 H new ATOM 0 HE ARG A 123 -4.354 32.629 -5.324 1.00 20.13 H new ATOM 0 HH11 ARG A 123 -7.214 34.386 -4.229 1.00 2.20 H new ATOM 0 HH12 ARG A 123 -7.576 35.028 -5.835 1.00 2.20 H new ATOM 0 HH21 ARG A 123 -4.825 33.458 -7.383 1.00 31.10 H new ATOM 0 HH22 ARG A 123 -6.230 34.505 -7.613 1.00 31.10 H new ATOM 1901 N THR A 124 -8.349 29.409 -0.389 1.00 5.14 N ATOM 1902 CA THR A 124 -8.706 27.997 -0.363 1.00 73.53 C ATOM 1903 C THR A 124 -10.173 27.807 0.007 1.00 41.42 C ATOM 1904 O THR A 124 -10.831 26.886 -0.476 1.00 62.23 O ATOM 1905 CB THR A 124 -7.832 27.213 0.634 1.00 43.31 C ATOM 1906 OG1 THR A 124 -8.174 25.823 0.599 1.00 0.31 O ATOM 1907 CG2 THR A 124 -8.009 27.749 2.046 1.00 14.35 C ATOM 0 H THR A 124 -7.815 29.723 0.421 1.00 5.14 H new ATOM 0 HA THR A 124 -8.534 27.610 -1.367 1.00 73.53 H new ATOM 0 HB THR A 124 -6.789 27.337 0.344 1.00 43.31 H new ATOM 0 HG1 THR A 124 -7.613 25.332 1.235 1.00 0.31 H new ATOM 0 HG21 THR A 124 -7.382 27.180 2.732 1.00 14.35 H new ATOM 0 HG22 THR A 124 -7.719 28.799 2.076 1.00 14.35 H new ATOM 0 HG23 THR A 124 -9.053 27.653 2.344 1.00 14.35 H new ATOM 1915 N ARG A 125 -10.680 28.686 0.866 1.00 25.40 N ATOM 1916 CA ARG A 125 -12.069 28.614 1.301 1.00 12.41 C ATOM 1917 C ARG A 125 -13.019 28.822 0.125 1.00 45.23 C ATOM 1918 O ARG A 125 -14.029 28.130 -0.001 1.00 42.13 O ATOM 1919 CB ARG A 125 -12.342 29.662 2.382 1.00 41.43 C ATOM 1920 CG ARG A 125 -13.655 29.451 3.117 1.00 12.32 C ATOM 1921 CD ARG A 125 -14.221 30.764 3.634 1.00 15.52 C ATOM 1922 NE ARG A 125 -13.806 31.037 5.008 1.00 72.34 N ATOM 1923 CZ ARG A 125 -14.227 30.337 6.055 1.00 32.31 C ATOM 1924 NH1 ARG A 125 -15.071 29.328 5.887 1.00 63.33 N ATOM 1925 NH2 ARG A 125 -13.804 30.645 7.274 1.00 11.33 N ATOM 0 H ARG A 125 -10.149 29.456 1.274 1.00 25.40 H new ATOM 0 HA ARG A 125 -12.243 27.621 1.715 1.00 12.41 H new ATOM 0 HB2 ARG A 125 -11.525 29.649 3.104 1.00 41.43 H new ATOM 0 HB3 ARG A 125 -12.347 30.651 1.924 1.00 41.43 H new ATOM 0 HG2 ARG A 125 -14.376 28.981 2.448 1.00 12.32 H new ATOM 0 HG3 ARG A 125 -13.500 28.767 3.951 1.00 12.32 H new ATOM 0 HD2 ARG A 125 -13.894 31.579 2.988 1.00 15.52 H new ATOM 0 HD3 ARG A 125 -15.309 30.734 3.583 1.00 15.52 H new ATOM 0 HE ARG A 125 -13.158 31.807 5.172 1.00 72.34 H new ATOM 0 HH11 ARG A 125 -15.399 29.088 4.951 1.00 63.33 H new ATOM 0 HH12 ARG A 125 -15.392 28.792 6.693 1.00 63.33 H new ATOM 0 HH21 ARG A 125 -13.155 31.420 7.408 1.00 11.33 H new ATOM 0 HH22 ARG A 125 -14.128 30.107 8.077 1.00 11.33 H new ATOM 1939 N VAL A 126 -12.687 29.781 -0.734 1.00 60.15 N ATOM 1940 CA VAL A 126 -13.509 30.080 -1.901 1.00 31.11 C ATOM 1941 C VAL A 126 -13.439 28.953 -2.926 1.00 14.43 C ATOM 1942 O VAL A 126 -14.466 28.457 -3.387 1.00 35.11 O ATOM 1943 CB VAL A 126 -13.074 31.397 -2.571 1.00 73.33 C ATOM 1944 CG1 VAL A 126 -13.983 31.723 -3.747 1.00 11.14 C ATOM 1945 CG2 VAL A 126 -13.069 32.533 -1.560 1.00 23.45 C ATOM 0 H VAL A 126 -11.855 30.364 -0.644 1.00 60.15 H new ATOM 0 HA VAL A 126 -14.535 30.182 -1.548 1.00 31.11 H new ATOM 0 HB VAL A 126 -12.059 31.274 -2.950 1.00 73.33 H new ATOM 0 HG11 VAL A 126 -13.661 32.657 -4.208 1.00 11.14 H new ATOM 0 HG12 VAL A 126 -13.931 30.919 -4.481 1.00 11.14 H new ATOM 0 HG13 VAL A 126 -15.009 31.827 -3.395 1.00 11.14 H new ATOM 0 HG21 VAL A 126 -12.759 33.456 -2.051 1.00 23.45 H new ATOM 0 HG22 VAL A 126 -14.071 32.659 -1.149 1.00 23.45 H new ATOM 0 HG23 VAL A 126 -12.373 32.300 -0.754 1.00 23.45 H new ATOM 1955 N GLU A 127 -12.221 28.555 -3.277 1.00 62.20 N ATOM 1956 CA GLU A 127 -12.018 27.486 -4.248 1.00 42.23 C ATOM 1957 C GLU A 127 -12.668 26.189 -3.774 1.00 43.43 C ATOM 1958 O GLU A 127 -13.264 25.457 -4.563 1.00 52.33 O ATOM 1959 CB GLU A 127 -10.523 27.262 -4.488 1.00 53.45 C ATOM 1960 CG GLU A 127 -10.091 27.525 -5.921 1.00 50.42 C ATOM 1961 CD GLU A 127 -8.587 27.651 -6.063 1.00 25.20 C ATOM 1962 OE1 GLU A 127 -7.887 27.585 -5.031 1.00 5.54 O ATOM 1963 OE2 GLU A 127 -8.109 27.814 -7.205 1.00 52.41 O ATOM 0 H GLU A 127 -11.360 28.956 -2.904 1.00 62.20 H new ATOM 0 HA GLU A 127 -12.488 27.787 -5.184 1.00 42.23 H new ATOM 0 HB2 GLU A 127 -9.955 27.911 -3.821 1.00 53.45 H new ATOM 0 HB3 GLU A 127 -10.271 26.235 -4.224 1.00 53.45 H new ATOM 0 HG2 GLU A 127 -10.446 26.715 -6.558 1.00 50.42 H new ATOM 0 HG3 GLU A 127 -10.564 28.440 -6.277 1.00 50.42 H new ATOM 1970 N ALA A 128 -12.547 25.912 -2.480 1.00 44.42 N ATOM 1971 CA ALA A 128 -13.123 24.706 -1.900 1.00 62.31 C ATOM 1972 C ALA A 128 -14.647 24.759 -1.922 1.00 44.54 C ATOM 1973 O ALA A 128 -15.305 23.804 -2.333 1.00 70.01 O ATOM 1974 CB ALA A 128 -12.620 24.512 -0.477 1.00 53.31 C ATOM 0 H ALA A 128 -12.055 26.507 -1.813 1.00 44.42 H new ATOM 0 HA ALA A 128 -12.807 23.856 -2.504 1.00 62.31 H new ATOM 0 HB1 ALA A 128 -13.059 23.607 -0.056 1.00 53.31 H new ATOM 0 HB2 ALA A 128 -11.534 24.419 -0.484 1.00 53.31 H new ATOM 0 HB3 ALA A 128 -12.907 25.370 0.130 1.00 53.31 H new ATOM 1980 N SER A 129 -15.201 25.883 -1.477 1.00 71.44 N ATOM 1981 CA SER A 129 -16.648 26.059 -1.442 1.00 71.12 C ATOM 1982 C SER A 129 -17.226 26.089 -2.854 1.00 33.23 C ATOM 1983 O SER A 129 -18.363 25.676 -3.079 1.00 61.34 O ATOM 1984 CB SER A 129 -17.008 27.350 -0.704 1.00 30.41 C ATOM 1985 OG SER A 129 -17.065 28.449 -1.597 1.00 31.34 O ATOM 0 H SER A 129 -14.670 26.684 -1.136 1.00 71.44 H new ATOM 0 HA SER A 129 -17.080 25.212 -0.909 1.00 71.12 H new ATOM 0 HB2 SER A 129 -17.970 27.232 -0.206 1.00 30.41 H new ATOM 0 HB3 SER A 129 -16.269 27.547 0.073 1.00 30.41 H new ATOM 0 HG SER A 129 -16.245 28.477 -2.134 1.00 31.34 H new ATOM 1991 N ASN A 130 -16.434 26.581 -3.801 1.00 11.25 N ATOM 1992 CA ASN A 130 -16.866 26.666 -5.191 1.00 13.32 C ATOM 1993 C ASN A 130 -15.956 25.840 -6.095 1.00 13.41 C ATOM 1994 O ASN A 130 -15.523 26.305 -7.150 1.00 62.40 O ATOM 1995 CB ASN A 130 -16.878 28.124 -5.655 1.00 3.33 C ATOM 1996 CG ASN A 130 -17.806 28.349 -6.833 1.00 31.04 C ATOM 1997 OD1 ASN A 130 -17.764 27.614 -7.820 1.00 1.35 O ATOM 1998 ND2 ASN A 130 -18.651 29.369 -6.734 1.00 21.23 N ATOM 0 H ASN A 130 -15.490 26.927 -3.631 1.00 11.25 H new ATOM 0 HA ASN A 130 -17.877 26.263 -5.257 1.00 13.32 H new ATOM 0 HB2 ASN A 130 -17.185 28.763 -4.827 1.00 3.33 H new ATOM 0 HB3 ASN A 130 -15.867 28.423 -5.931 1.00 3.33 H new ATOM 0 HD21 ASN A 130 -19.300 29.569 -7.495 1.00 21.23 H new ATOM 0 HD22 ASN A 130 -18.651 29.952 -5.897 1.00 21.23 H new ATOM 2005 N THR A 131 -15.671 24.612 -5.675 1.00 25.14 N ATOM 2006 CA THR A 131 -14.812 23.721 -6.445 1.00 32.11 C ATOM 2007 C THR A 131 -15.358 23.512 -7.853 1.00 15.43 C ATOM 2008 O THR A 131 -14.597 23.398 -8.813 1.00 43.34 O ATOM 2009 CB THR A 131 -14.663 22.351 -5.757 1.00 5.05 C ATOM 2010 OG1 THR A 131 -14.078 22.516 -4.460 1.00 35.35 O ATOM 2011 CG2 THR A 131 -13.800 21.417 -6.592 1.00 1.02 C ATOM 0 H THR A 131 -16.023 24.211 -4.805 1.00 25.14 H new ATOM 0 HA THR A 131 -13.834 24.198 -6.504 1.00 32.11 H new ATOM 0 HB THR A 131 -15.655 21.910 -5.655 1.00 5.05 H new ATOM 0 HG1 THR A 131 -14.707 22.989 -3.875 1.00 35.35 H new ATOM 0 HG21 THR A 131 -13.709 20.456 -6.086 1.00 1.02 H new ATOM 0 HG22 THR A 131 -14.262 21.271 -7.568 1.00 1.02 H new ATOM 0 HG23 THR A 131 -12.810 21.854 -6.721 1.00 1.02 H new ATOM 2019 N ILE A 132 -16.681 23.464 -7.968 1.00 13.32 N ATOM 2020 CA ILE A 132 -17.329 23.271 -9.259 1.00 44.45 C ATOM 2021 C ILE A 132 -18.847 23.270 -9.119 1.00 30.34 C ATOM 2022 O ILE A 132 -19.430 22.329 -8.579 1.00 64.14 O ATOM 2023 CB ILE A 132 -16.884 21.953 -9.921 1.00 12.33 C ATOM 2024 CG1 ILE A 132 -17.694 21.697 -11.193 1.00 40.55 C ATOM 2025 CG2 ILE A 132 -17.037 20.794 -8.947 1.00 52.40 C ATOM 2026 CD1 ILE A 132 -17.608 22.823 -12.201 1.00 32.23 C ATOM 0 H ILE A 132 -17.325 23.556 -7.182 1.00 13.32 H new ATOM 0 HA ILE A 132 -17.026 24.106 -9.891 1.00 44.45 H new ATOM 0 HB ILE A 132 -15.832 22.037 -10.194 1.00 12.33 H new ATOM 0 HG12 ILE A 132 -17.343 20.776 -11.658 1.00 40.55 H new ATOM 0 HG13 ILE A 132 -18.738 21.540 -10.924 1.00 40.55 H new ATOM 0 HG21 ILE A 132 -16.719 19.869 -9.429 1.00 52.40 H new ATOM 0 HG22 ILE A 132 -16.421 20.975 -8.066 1.00 52.40 H new ATOM 0 HG23 ILE A 132 -18.081 20.706 -8.647 1.00 52.40 H new ATOM 0 HD11 ILE A 132 -18.206 22.573 -13.077 1.00 32.23 H new ATOM 0 HD12 ILE A 132 -17.986 23.742 -11.753 1.00 32.23 H new ATOM 0 HD13 ILE A 132 -16.569 22.966 -12.499 1.00 32.23 H new ATOM 2038 N SER A 133 -19.483 24.329 -9.609 1.00 4.22 N ATOM 2039 CA SER A 133 -20.934 24.451 -9.536 1.00 42.31 C ATOM 2040 C SER A 133 -21.613 23.343 -10.335 1.00 0.01 C ATOM 2041 O SER A 133 -21.386 23.200 -11.536 1.00 63.12 O ATOM 2042 CB SER A 133 -21.379 25.818 -10.059 1.00 44.51 C ATOM 2043 OG SER A 133 -22.037 26.562 -9.048 1.00 72.32 O ATOM 0 H SER A 133 -19.016 25.115 -10.061 1.00 4.22 H new ATOM 0 HA SER A 133 -21.230 24.356 -8.491 1.00 42.31 H new ATOM 0 HB2 SER A 133 -20.512 26.373 -10.418 1.00 44.51 H new ATOM 0 HB3 SER A 133 -22.047 25.685 -10.910 1.00 44.51 H new ATOM 0 HG SER A 133 -22.310 27.432 -9.407 1.00 72.32 H new ATOM 2049 N SER A 134 -22.448 22.561 -9.658 1.00 61.11 N ATOM 2050 CA SER A 134 -23.158 21.462 -10.303 1.00 11.45 C ATOM 2051 C SER A 134 -22.178 20.465 -10.912 1.00 24.21 C ATOM 2052 O SER A 134 -21.813 19.474 -10.281 1.00 75.44 O ATOM 2053 CB SER A 134 -24.096 21.999 -11.385 1.00 52.14 C ATOM 2054 OG SER A 134 -25.162 21.097 -11.630 1.00 3.42 O ATOM 0 H SER A 134 -22.649 22.668 -8.664 1.00 61.11 H new ATOM 0 HA SER A 134 -23.747 20.947 -9.544 1.00 11.45 H new ATOM 0 HB2 SER A 134 -24.496 22.965 -11.077 1.00 52.14 H new ATOM 0 HB3 SER A 134 -23.537 22.165 -12.306 1.00 52.14 H new ATOM 0 HG SER A 134 -25.748 21.464 -12.324 1.00 3.42 H new