USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 hydrogens (25 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 9 LYS NZ :NH3+ 144:sc= 1.14 (180deg=-0.426) USER MOD Set 1.2: A 51 TYR OH : rot 110:sc= 0.304 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -145:sc= 1.21 (180deg=-0.039) USER MOD Set 2.2: A 77 SER OG : rot -110:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0495 (180deg=-0.36) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.04 (180deg=0.657) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.228 USER MOD Single : A 15 MET CE :methyl 173:sc= 0 (180deg=-0.0507) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 32 THR OG1 : rot -170:sc= -1.68! USER MOD Single : A 41 ASN : amide:sc=-0.00166 X(o=-0.0017,f=-0.0017) USER MOD Single : A 43 MET CE :methyl -129:sc= -1.22 (180deg=-4.03!) USER MOD Single : A 44 ASN : amide:sc= 1.06 K(o=1.1,f=-3.9!) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0468) USER MOD Single : A 49 MET CE :methyl -154:sc= -3.16 (180deg=-3.98) USER MOD Single : A 56 MET CE :methyl -170:sc= -2.74! (180deg=-3.27!) USER MOD Single : A 59 SER OG : rot -170:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= 0.995 (180deg=0.339) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.438 F(o=-2.1,f=-0.44) USER MOD Single : A 79 THR OG1 : rot 89:sc= 0.876 USER MOD Single : A 82 GLN : amide:sc=7.92e-05 X(o=7.9e-05,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 82:sc= 0.462 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.022 14.214 -3.202 1.00 51.13 N ATOM 2 CA MET A 1 4.604 15.602 -2.933 1.00 41.30 C ATOM 3 C MET A 1 3.083 15.651 -2.790 1.00 72.10 C ATOM 4 O MET A 1 2.568 15.775 -1.676 1.00 54.33 O ATOM 5 CB MET A 1 5.116 16.565 -4.049 1.00 14.40 C ATOM 6 CG MET A 1 4.816 18.065 -3.810 1.00 22.23 C ATOM 7 SD MET A 1 5.508 19.137 -5.098 1.00 51.42 S ATOM 8 CE MET A 1 7.278 18.897 -4.905 1.00 63.13 C ATOM 0 H1 MET A 1 5.936 14.031 -2.741 1.00 51.13 H new ATOM 0 H2 MET A 1 4.308 13.558 -2.827 1.00 51.13 H new ATOM 0 H3 MET A 1 5.117 14.073 -4.228 1.00 51.13 H new ATOM 0 HA MET A 1 5.050 15.942 -1.998 1.00 41.30 H new ATOM 0 HB2 MET A 1 6.194 16.438 -4.151 1.00 14.40 H new ATOM 0 HB3 MET A 1 4.669 16.268 -4.997 1.00 14.40 H new ATOM 0 HG2 MET A 1 3.737 18.212 -3.763 1.00 22.23 H new ATOM 0 HG3 MET A 1 5.220 18.361 -2.842 1.00 22.23 H new ATOM 0 HE1 MET A 1 7.812 19.682 -5.440 1.00 63.13 H new ATOM 0 HE2 MET A 1 7.537 18.938 -3.847 1.00 63.13 H new ATOM 0 HE3 MET A 1 7.560 17.925 -5.311 1.00 63.13 H new ATOM 20 N ASP A 2 2.356 15.524 -3.914 1.00 10.21 N ATOM 21 CA ASP A 2 0.893 15.660 -3.921 1.00 73.03 C ATOM 22 C ASP A 2 0.224 14.288 -3.800 1.00 12.33 C ATOM 23 O ASP A 2 -0.121 13.693 -4.833 1.00 44.53 O ATOM 24 CB ASP A 2 0.420 16.380 -5.207 1.00 41.13 C ATOM 25 CG ASP A 2 1.077 17.768 -5.396 1.00 34.54 C ATOM 26 OD1 ASP A 2 0.589 18.749 -4.807 1.00 44.34 O ATOM 27 OD2 ASP A 2 2.084 17.868 -6.124 1.00 32.02 O ATOM 0 H ASP A 2 2.761 15.327 -4.829 1.00 10.21 H new ATOM 0 HA ASP A 2 0.601 16.263 -3.061 1.00 73.03 H new ATOM 0 HB2 ASP A 2 0.647 15.756 -6.071 1.00 41.13 H new ATOM 0 HB3 ASP A 2 -0.663 16.498 -5.174 1.00 41.13 H new ATOM 32 N GLY A 3 0.171 13.778 -2.530 1.00 11.10 N ATOM 33 CA GLY A 3 -0.652 12.616 -2.073 1.00 50.25 C ATOM 34 C GLY A 3 -0.856 11.441 -3.056 1.00 70.33 C ATOM 35 O GLY A 3 -0.409 10.318 -2.817 1.00 35.11 O ATOM 0 H GLY A 3 0.721 14.181 -1.771 1.00 11.10 H new ATOM 0 HA2 GLY A 3 -0.194 12.218 -1.167 1.00 50.25 H new ATOM 0 HA3 GLY A 3 -1.636 12.993 -1.794 1.00 50.25 H new ATOM 39 N GLU A 4 -1.593 11.702 -4.137 1.00 45.40 N ATOM 40 CA GLU A 4 -1.908 10.714 -5.209 1.00 62.12 C ATOM 41 C GLU A 4 -0.649 10.143 -5.876 1.00 10.40 C ATOM 42 O GLU A 4 -0.684 9.066 -6.480 1.00 33.20 O ATOM 43 CB GLU A 4 -2.821 11.364 -6.269 1.00 65.21 C ATOM 44 CG GLU A 4 -4.066 12.034 -5.676 1.00 0.41 C ATOM 45 CD GLU A 4 -5.050 12.548 -6.737 1.00 21.41 C ATOM 46 OE1 GLU A 4 -4.669 13.410 -7.555 1.00 13.41 O ATOM 47 OE2 GLU A 4 -6.221 12.104 -6.745 1.00 25.41 O ATOM 0 H GLU A 4 -2.003 12.620 -4.310 1.00 45.40 H new ATOM 0 HA GLU A 4 -2.424 9.878 -4.736 1.00 62.12 H new ATOM 0 HB2 GLU A 4 -2.248 12.107 -6.824 1.00 65.21 H new ATOM 0 HB3 GLU A 4 -3.133 10.603 -6.984 1.00 65.21 H new ATOM 0 HG2 GLU A 4 -4.580 11.321 -5.031 1.00 0.41 H new ATOM 0 HG3 GLU A 4 -3.755 12.868 -5.046 1.00 0.41 H new ATOM 54 N GLU A 5 0.435 10.908 -5.767 1.00 14.11 N ATOM 55 CA GLU A 5 1.763 10.504 -6.200 1.00 35.25 C ATOM 56 C GLU A 5 2.232 9.288 -5.399 1.00 62.41 C ATOM 57 O GLU A 5 2.663 8.296 -5.983 1.00 12.52 O ATOM 58 CB GLU A 5 2.752 11.672 -6.013 1.00 5.31 C ATOM 59 CG GLU A 5 4.172 11.401 -6.558 1.00 54.11 C ATOM 60 CD GLU A 5 5.220 12.348 -5.978 1.00 51.40 C ATOM 61 OE1 GLU A 5 4.972 13.573 -5.939 1.00 30.42 O ATOM 62 OE2 GLU A 5 6.277 11.870 -5.509 1.00 72.22 O ATOM 0 H GLU A 5 0.410 11.846 -5.366 1.00 14.11 H new ATOM 0 HA GLU A 5 1.724 10.235 -7.256 1.00 35.25 H new ATOM 0 HB2 GLU A 5 2.349 12.556 -6.508 1.00 5.31 H new ATOM 0 HB3 GLU A 5 2.822 11.906 -4.951 1.00 5.31 H new ATOM 0 HG2 GLU A 5 4.453 10.373 -6.331 1.00 54.11 H new ATOM 0 HG3 GLU A 5 4.164 11.497 -7.644 1.00 54.11 H new ATOM 69 N VAL A 6 2.095 9.346 -4.059 1.00 53.14 N ATOM 70 CA VAL A 6 2.583 8.256 -3.198 1.00 61.34 C ATOM 71 C VAL A 6 1.647 7.059 -3.300 1.00 61.12 C ATOM 72 O VAL A 6 2.075 5.943 -3.034 1.00 21.24 O ATOM 73 CB VAL A 6 2.818 8.663 -1.697 1.00 10.01 C ATOM 74 CG1 VAL A 6 3.765 9.881 -1.592 1.00 1.33 C ATOM 75 CG2 VAL A 6 1.503 8.906 -0.922 1.00 55.33 C ATOM 0 H VAL A 6 1.659 10.121 -3.559 1.00 53.14 H new ATOM 0 HA VAL A 6 3.572 7.992 -3.573 1.00 61.34 H new ATOM 0 HB VAL A 6 3.300 7.810 -1.219 1.00 10.01 H new ATOM 0 HG11 VAL A 6 3.909 10.140 -0.543 1.00 1.33 H new ATOM 0 HG12 VAL A 6 4.727 9.634 -2.040 1.00 1.33 H new ATOM 0 HG13 VAL A 6 3.327 10.729 -2.118 1.00 1.33 H new ATOM 0 HG21 VAL A 6 1.733 9.183 0.107 1.00 55.33 H new ATOM 0 HG22 VAL A 6 0.943 9.711 -1.398 1.00 55.33 H new ATOM 0 HG23 VAL A 6 0.904 7.995 -0.927 1.00 55.33 H new ATOM 85 N LYS A 7 0.375 7.317 -3.687 1.00 41.34 N ATOM 86 CA LYS A 7 -0.586 6.255 -4.020 1.00 53.03 C ATOM 87 C LYS A 7 -0.026 5.345 -5.126 1.00 52.04 C ATOM 88 O LYS A 7 0.202 4.153 -4.877 1.00 44.53 O ATOM 89 CB LYS A 7 -1.987 6.828 -4.424 1.00 4.02 C ATOM 90 CG LYS A 7 -3.032 6.840 -3.288 1.00 53.41 C ATOM 91 CD LYS A 7 -4.457 7.163 -3.817 1.00 74.15 C ATOM 92 CE LYS A 7 -4.674 8.648 -4.114 1.00 2.14 C ATOM 93 NZ LYS A 7 -4.755 9.461 -2.871 1.00 34.44 N ATOM 0 H LYS A 7 -0.005 8.260 -3.775 1.00 41.34 H new ATOM 0 HA LYS A 7 -0.734 5.659 -3.119 1.00 53.03 H new ATOM 0 HB2 LYS A 7 -1.856 7.847 -4.789 1.00 4.02 H new ATOM 0 HB3 LYS A 7 -2.379 6.240 -5.254 1.00 4.02 H new ATOM 0 HG2 LYS A 7 -3.040 5.870 -2.792 1.00 53.41 H new ATOM 0 HG3 LYS A 7 -2.746 7.579 -2.539 1.00 53.41 H new ATOM 0 HD2 LYS A 7 -4.638 6.588 -4.725 1.00 74.15 H new ATOM 0 HD3 LYS A 7 -5.192 6.836 -3.081 1.00 74.15 H new ATOM 0 HE2 LYS A 7 -3.857 9.016 -4.735 1.00 2.14 H new ATOM 0 HE3 LYS A 7 -5.592 8.772 -4.688 1.00 2.14 H new ATOM 0 HZ1 LYS A 7 -5.436 10.235 -3.006 1.00 34.44 H new ATOM 0 HZ2 LYS A 7 -5.068 8.859 -2.082 1.00 34.44 H new ATOM 0 HZ3 LYS A 7 -3.818 9.857 -2.654 1.00 34.44 H new ATOM 107 N GLU A 8 0.226 5.903 -6.332 1.00 71.12 N ATOM 108 CA GLU A 8 0.728 5.093 -7.467 1.00 3.02 C ATOM 109 C GLU A 8 2.047 4.399 -7.082 1.00 52.41 C ATOM 110 O GLU A 8 2.278 3.270 -7.470 1.00 1.52 O ATOM 111 CB GLU A 8 0.903 5.913 -8.785 1.00 75.32 C ATOM 112 CG GLU A 8 2.020 6.983 -8.765 1.00 52.31 C ATOM 113 CD GLU A 8 2.435 7.465 -10.171 1.00 33.11 C ATOM 114 OE1 GLU A 8 1.810 8.406 -10.713 1.00 63.43 O ATOM 115 OE2 GLU A 8 3.382 6.883 -10.752 1.00 2.01 O ATOM 0 H GLU A 8 0.093 6.892 -6.543 1.00 71.12 H new ATOM 0 HA GLU A 8 -0.034 4.342 -7.675 1.00 3.02 H new ATOM 0 HB2 GLU A 8 1.106 5.218 -9.600 1.00 75.32 H new ATOM 0 HB3 GLU A 8 -0.042 6.405 -9.013 1.00 75.32 H new ATOM 0 HG2 GLU A 8 1.682 7.839 -8.181 1.00 52.31 H new ATOM 0 HG3 GLU A 8 2.894 6.575 -8.257 1.00 52.31 H new ATOM 122 N LYS A 9 2.858 5.079 -6.240 1.00 64.21 N ATOM 123 CA LYS A 9 4.140 4.558 -5.725 1.00 34.44 C ATOM 124 C LYS A 9 3.984 3.267 -4.908 1.00 21.12 C ATOM 125 O LYS A 9 4.850 2.403 -4.994 1.00 73.11 O ATOM 126 CB LYS A 9 4.856 5.644 -4.887 1.00 22.33 C ATOM 127 CG LYS A 9 5.459 6.788 -5.721 1.00 23.42 C ATOM 128 CD LYS A 9 5.959 7.968 -4.856 1.00 64.52 C ATOM 129 CE LYS A 9 6.875 7.538 -3.697 1.00 13.41 C ATOM 130 NZ LYS A 9 8.029 6.718 -4.155 1.00 30.35 N ATOM 0 H LYS A 9 2.637 6.014 -5.897 1.00 64.21 H new ATOM 0 HA LYS A 9 4.747 4.302 -6.593 1.00 34.44 H new ATOM 0 HB2 LYS A 9 4.146 6.064 -4.174 1.00 22.33 H new ATOM 0 HB3 LYS A 9 5.650 5.174 -4.307 1.00 22.33 H new ATOM 0 HG2 LYS A 9 6.289 6.401 -6.312 1.00 23.42 H new ATOM 0 HG3 LYS A 9 4.710 7.152 -6.424 1.00 23.42 H new ATOM 0 HD2 LYS A 9 6.497 8.671 -5.492 1.00 64.52 H new ATOM 0 HD3 LYS A 9 5.099 8.500 -4.450 1.00 64.52 H new ATOM 0 HE2 LYS A 9 7.245 8.425 -3.183 1.00 13.41 H new ATOM 0 HE3 LYS A 9 6.294 6.968 -2.972 1.00 13.41 H new ATOM 0 HZ1 LYS A 9 8.867 6.947 -3.583 1.00 30.35 H new ATOM 0 HZ2 LYS A 9 7.802 5.709 -4.048 1.00 30.35 H new ATOM 0 HZ3 LYS A 9 8.226 6.924 -5.155 1.00 30.35 H new ATOM 144 N ILE A 10 2.891 3.144 -4.131 1.00 3.31 N ATOM 145 CA ILE A 10 2.617 1.935 -3.316 1.00 63.01 C ATOM 146 C ILE A 10 2.525 0.699 -4.222 1.00 42.32 C ATOM 147 O ILE A 10 3.226 -0.296 -4.022 1.00 12.22 O ATOM 148 CB ILE A 10 1.272 2.073 -2.506 1.00 51.04 C ATOM 149 CG1 ILE A 10 1.281 3.322 -1.573 1.00 4.15 C ATOM 150 CG2 ILE A 10 0.930 0.800 -1.702 1.00 70.43 C ATOM 151 CD1 ILE A 10 2.451 3.398 -0.599 1.00 63.44 C ATOM 0 H ILE A 10 2.178 3.868 -4.048 1.00 3.31 H new ATOM 0 HA ILE A 10 3.440 1.825 -2.610 1.00 63.01 H new ATOM 0 HB ILE A 10 0.488 2.209 -3.251 1.00 51.04 H new ATOM 0 HG12 ILE A 10 1.287 4.218 -2.193 1.00 4.15 H new ATOM 0 HG13 ILE A 10 0.353 3.335 -1.002 1.00 4.15 H new ATOM 0 HG21 ILE A 10 -0.006 0.950 -1.163 1.00 70.43 H new ATOM 0 HG22 ILE A 10 0.825 -0.044 -2.384 1.00 70.43 H new ATOM 0 HG23 ILE A 10 1.729 0.593 -0.990 1.00 70.43 H new ATOM 0 HD11 ILE A 10 2.365 4.302 0.004 1.00 63.44 H new ATOM 0 HD12 ILE A 10 2.439 2.525 0.053 1.00 63.44 H new ATOM 0 HD13 ILE A 10 3.387 3.421 -1.156 1.00 63.44 H new ATOM 163 N ARG A 11 1.683 0.818 -5.247 1.00 50.04 N ATOM 164 CA ARG A 11 1.348 -0.300 -6.143 1.00 42.22 C ATOM 165 C ARG A 11 2.427 -0.529 -7.199 1.00 75.32 C ATOM 166 O ARG A 11 2.672 -1.673 -7.590 1.00 40.04 O ATOM 167 CB ARG A 11 -0.029 -0.064 -6.786 1.00 25.03 C ATOM 168 CG ARG A 11 -1.187 -0.002 -5.768 1.00 55.04 C ATOM 169 CD ARG A 11 -1.216 -1.218 -4.816 1.00 25.21 C ATOM 170 NE ARG A 11 -2.339 -1.181 -3.867 1.00 2.05 N ATOM 171 CZ ARG A 11 -2.336 -1.738 -2.644 1.00 55.23 C ATOM 172 NH1 ARG A 11 -1.263 -2.367 -2.182 1.00 24.32 N ATOM 173 NH2 ARG A 11 -3.436 -1.721 -1.918 1.00 42.53 N ATOM 0 H ARG A 11 1.211 1.690 -5.484 1.00 50.04 H new ATOM 0 HA ARG A 11 1.302 -1.211 -5.546 1.00 42.22 H new ATOM 0 HB2 ARG A 11 -0.002 0.869 -7.349 1.00 25.03 H new ATOM 0 HB3 ARG A 11 -0.228 -0.862 -7.501 1.00 25.03 H new ATOM 0 HG2 ARG A 11 -1.099 0.911 -5.180 1.00 55.04 H new ATOM 0 HG3 ARG A 11 -2.134 0.055 -6.305 1.00 55.04 H new ATOM 0 HD2 ARG A 11 -1.277 -2.132 -5.406 1.00 25.21 H new ATOM 0 HD3 ARG A 11 -0.279 -1.259 -4.260 1.00 25.21 H new ATOM 0 HE ARG A 11 -3.186 -0.695 -4.160 1.00 2.05 H new ATOM 0 HH11 ARG A 11 -0.423 -2.433 -2.757 1.00 24.32 H new ATOM 0 HH12 ARG A 11 -1.278 -2.784 -1.251 1.00 24.32 H new ATOM 0 HH21 ARG A 11 -4.283 -1.287 -2.285 1.00 42.53 H new ATOM 0 HH22 ARG A 11 -3.440 -2.142 -0.989 1.00 42.53 H new ATOM 187 N ARG A 12 3.073 0.562 -7.630 1.00 2.22 N ATOM 188 CA ARG A 12 4.226 0.513 -8.545 1.00 35.00 C ATOM 189 C ARG A 12 5.364 -0.256 -7.879 1.00 62.42 C ATOM 190 O ARG A 12 5.969 -1.100 -8.505 1.00 51.23 O ATOM 191 CB ARG A 12 4.689 1.955 -8.949 1.00 13.33 C ATOM 192 CG ARG A 12 4.188 2.449 -10.325 1.00 73.44 C ATOM 193 CD ARG A 12 2.661 2.388 -10.508 1.00 13.01 C ATOM 194 NE ARG A 12 2.249 2.788 -11.868 1.00 21.43 N ATOM 195 CZ ARG A 12 2.438 2.062 -12.980 1.00 73.13 C ATOM 196 NH1 ARG A 12 3.040 0.884 -12.932 1.00 74.44 N ATOM 197 NH2 ARG A 12 2.004 2.525 -14.146 1.00 63.21 N ATOM 0 H ARG A 12 2.811 1.508 -7.354 1.00 2.22 H new ATOM 0 HA ARG A 12 3.931 -0.001 -9.460 1.00 35.00 H new ATOM 0 HB2 ARG A 12 4.350 2.655 -8.185 1.00 13.33 H new ATOM 0 HB3 ARG A 12 5.779 1.983 -8.946 1.00 13.33 H new ATOM 0 HG2 ARG A 12 4.518 3.478 -10.470 1.00 73.44 H new ATOM 0 HG3 ARG A 12 4.659 1.851 -11.105 1.00 73.44 H new ATOM 0 HD2 ARG A 12 2.312 1.375 -10.307 1.00 13.01 H new ATOM 0 HD3 ARG A 12 2.182 3.041 -9.778 1.00 13.01 H new ATOM 0 HE ARG A 12 1.783 3.689 -11.970 1.00 21.43 H new ATOM 0 HH11 ARG A 12 3.368 0.515 -12.040 1.00 74.44 H new ATOM 0 HH12 ARG A 12 3.175 0.345 -13.787 1.00 74.44 H new ATOM 0 HH21 ARG A 12 1.530 3.427 -14.192 1.00 63.21 H new ATOM 0 HH22 ARG A 12 2.144 1.979 -14.996 1.00 63.21 H new ATOM 211 N TYR A 13 5.589 0.038 -6.592 1.00 71.13 N ATOM 212 CA TYR A 13 6.622 -0.627 -5.774 1.00 4.13 C ATOM 213 C TYR A 13 6.459 -2.157 -5.788 1.00 51.13 C ATOM 214 O TYR A 13 7.438 -2.891 -5.934 1.00 4.24 O ATOM 215 CB TYR A 13 6.575 -0.080 -4.325 1.00 53.45 C ATOM 216 CG TYR A 13 7.576 -0.739 -3.372 1.00 62.11 C ATOM 217 CD1 TYR A 13 8.942 -0.727 -3.657 1.00 44.35 C ATOM 218 CD2 TYR A 13 7.164 -1.361 -2.200 1.00 42.03 C ATOM 219 CE1 TYR A 13 9.844 -1.315 -2.811 1.00 63.34 C ATOM 220 CE2 TYR A 13 8.063 -1.946 -1.357 1.00 11.24 C ATOM 221 CZ TYR A 13 9.400 -1.924 -1.663 1.00 74.12 C ATOM 222 OH TYR A 13 10.289 -2.518 -0.820 1.00 10.23 O ATOM 0 H TYR A 13 5.060 0.746 -6.083 1.00 71.13 H new ATOM 0 HA TYR A 13 7.597 -0.405 -6.208 1.00 4.13 H new ATOM 0 HB2 TYR A 13 6.764 0.993 -4.348 1.00 53.45 H new ATOM 0 HB3 TYR A 13 5.569 -0.218 -3.929 1.00 53.45 H new ATOM 0 HD1 TYR A 13 9.293 -0.247 -4.558 1.00 44.35 H new ATOM 0 HD2 TYR A 13 6.113 -1.382 -1.952 1.00 42.03 H new ATOM 0 HE1 TYR A 13 10.898 -1.300 -3.045 1.00 63.34 H new ATOM 0 HE2 TYR A 13 7.723 -2.425 -0.451 1.00 11.24 H new ATOM 0 HH TYR A 13 10.131 -2.205 0.095 1.00 10.23 H new ATOM 232 N ILE A 14 5.209 -2.610 -5.665 1.00 31.41 N ATOM 233 CA ILE A 14 4.869 -4.036 -5.666 1.00 31.21 C ATOM 234 C ILE A 14 5.260 -4.663 -7.014 1.00 31.43 C ATOM 235 O ILE A 14 6.025 -5.613 -7.050 1.00 52.34 O ATOM 236 CB ILE A 14 3.343 -4.253 -5.367 1.00 62.45 C ATOM 237 CG1 ILE A 14 2.939 -3.513 -4.060 1.00 54.43 C ATOM 238 CG2 ILE A 14 3.009 -5.763 -5.267 1.00 74.44 C ATOM 239 CD1 ILE A 14 1.457 -3.505 -3.776 1.00 62.13 C ATOM 0 H ILE A 14 4.401 -1.996 -5.562 1.00 31.41 H new ATOM 0 HA ILE A 14 5.431 -4.529 -4.873 1.00 31.21 H new ATOM 0 HB ILE A 14 2.768 -3.836 -6.194 1.00 62.45 H new ATOM 0 HG12 ILE A 14 3.454 -3.979 -3.220 1.00 54.43 H new ATOM 0 HG13 ILE A 14 3.290 -2.483 -4.118 1.00 54.43 H new ATOM 0 HG21 ILE A 14 1.946 -5.888 -5.059 1.00 74.44 H new ATOM 0 HG22 ILE A 14 3.255 -6.253 -6.209 1.00 74.44 H new ATOM 0 HG23 ILE A 14 3.591 -6.212 -4.462 1.00 74.44 H new ATOM 0 HD11 ILE A 14 1.268 -2.968 -2.847 1.00 62.13 H new ATOM 0 HD12 ILE A 14 0.932 -3.011 -4.594 1.00 62.13 H new ATOM 0 HD13 ILE A 14 1.099 -4.530 -3.682 1.00 62.13 H new ATOM 251 N MET A 15 4.801 -4.056 -8.108 1.00 2.42 N ATOM 252 CA MET A 15 4.982 -4.608 -9.466 1.00 22.33 C ATOM 253 C MET A 15 6.468 -4.567 -9.911 1.00 0.02 C ATOM 254 O MET A 15 6.999 -5.570 -10.381 1.00 24.11 O ATOM 255 CB MET A 15 4.070 -3.849 -10.469 1.00 1.12 C ATOM 256 CG MET A 15 2.608 -3.756 -10.025 1.00 52.04 C ATOM 257 SD MET A 15 1.918 -5.349 -9.516 1.00 1.44 S ATOM 258 CE MET A 15 1.500 -6.087 -11.084 1.00 1.41 C ATOM 0 H MET A 15 4.294 -3.171 -8.087 1.00 2.42 H new ATOM 0 HA MET A 15 4.689 -5.658 -9.451 1.00 22.33 H new ATOM 0 HB2 MET A 15 4.462 -2.842 -10.612 1.00 1.12 H new ATOM 0 HB3 MET A 15 4.115 -4.349 -11.437 1.00 1.12 H new ATOM 0 HG2 MET A 15 2.530 -3.052 -9.197 1.00 52.04 H new ATOM 0 HG3 MET A 15 2.011 -3.353 -10.843 1.00 52.04 H new ATOM 0 HE1 MET A 15 1.182 -7.118 -10.928 1.00 1.41 H new ATOM 0 HE2 MET A 15 0.690 -5.523 -11.547 1.00 1.41 H new ATOM 0 HE3 MET A 15 2.372 -6.072 -11.737 1.00 1.41 H new ATOM 268 N GLU A 16 7.129 -3.414 -9.718 1.00 63.01 N ATOM 269 CA GLU A 16 8.528 -3.183 -10.148 1.00 24.43 C ATOM 270 C GLU A 16 9.520 -4.023 -9.306 1.00 42.40 C ATOM 271 O GLU A 16 10.359 -4.743 -9.846 1.00 62.24 O ATOM 272 CB GLU A 16 8.898 -1.673 -10.017 1.00 64.04 C ATOM 273 CG GLU A 16 8.015 -0.699 -10.820 1.00 42.12 C ATOM 274 CD GLU A 16 8.295 0.783 -10.484 1.00 14.31 C ATOM 275 OE1 GLU A 16 8.094 1.190 -9.320 1.00 23.03 O ATOM 276 OE2 GLU A 16 8.733 1.547 -11.373 1.00 1.02 O ATOM 0 H GLU A 16 6.709 -2.607 -9.256 1.00 63.01 H new ATOM 0 HA GLU A 16 8.604 -3.489 -11.191 1.00 24.43 H new ATOM 0 HB2 GLU A 16 8.849 -1.395 -8.964 1.00 64.04 H new ATOM 0 HB3 GLU A 16 9.933 -1.542 -10.333 1.00 64.04 H new ATOM 0 HG2 GLU A 16 8.179 -0.862 -11.885 1.00 42.12 H new ATOM 0 HG3 GLU A 16 6.966 -0.919 -10.621 1.00 42.12 H new ATOM 283 N ASP A 17 9.407 -3.901 -7.979 1.00 73.31 N ATOM 284 CA ASP A 17 10.390 -4.461 -7.024 1.00 43.23 C ATOM 285 C ASP A 17 10.003 -5.886 -6.600 1.00 72.33 C ATOM 286 O ASP A 17 10.793 -6.817 -6.760 1.00 2.21 O ATOM 287 CB ASP A 17 10.524 -3.523 -5.795 1.00 14.41 C ATOM 288 CG ASP A 17 11.480 -4.052 -4.713 1.00 22.44 C ATOM 289 OD1 ASP A 17 12.710 -3.964 -4.898 1.00 74.31 O ATOM 290 OD2 ASP A 17 11.016 -4.571 -3.675 1.00 23.43 O ATOM 0 H ASP A 17 8.633 -3.412 -7.529 1.00 73.31 H new ATOM 0 HA ASP A 17 11.359 -4.525 -7.518 1.00 43.23 H new ATOM 0 HB2 ASP A 17 10.874 -2.547 -6.131 1.00 14.41 H new ATOM 0 HB3 ASP A 17 9.538 -3.373 -5.354 1.00 14.41 H new ATOM 295 N LEU A 18 8.774 -6.053 -6.080 1.00 42.21 N ATOM 296 CA LEU A 18 8.337 -7.339 -5.489 1.00 12.31 C ATOM 297 C LEU A 18 8.058 -8.410 -6.566 1.00 32.52 C ATOM 298 O LEU A 18 8.394 -9.581 -6.370 1.00 15.22 O ATOM 299 CB LEU A 18 7.105 -7.145 -4.562 1.00 72.14 C ATOM 300 CG LEU A 18 7.367 -6.423 -3.190 1.00 25.10 C ATOM 301 CD1 LEU A 18 8.475 -7.132 -2.372 1.00 44.44 C ATOM 302 CD2 LEU A 18 7.669 -4.915 -3.341 1.00 51.14 C ATOM 0 H LEU A 18 8.066 -5.320 -6.055 1.00 42.21 H new ATOM 0 HA LEU A 18 9.164 -7.704 -4.880 1.00 12.31 H new ATOM 0 HB2 LEU A 18 6.353 -6.576 -5.109 1.00 72.14 H new ATOM 0 HB3 LEU A 18 6.676 -8.125 -4.355 1.00 72.14 H new ATOM 0 HG LEU A 18 6.432 -6.497 -2.634 1.00 25.10 H new ATOM 0 HD11 LEU A 18 8.627 -6.604 -1.431 1.00 44.44 H new ATOM 0 HD12 LEU A 18 8.175 -8.160 -2.167 1.00 44.44 H new ATOM 0 HD13 LEU A 18 9.404 -7.133 -2.942 1.00 44.44 H new ATOM 0 HD21 LEU A 18 7.840 -4.478 -2.357 1.00 51.14 H new ATOM 0 HD22 LEU A 18 8.558 -4.782 -3.957 1.00 51.14 H new ATOM 0 HD23 LEU A 18 6.822 -4.420 -3.816 1.00 51.14 H new ATOM 314 N ILE A 19 7.423 -8.017 -7.684 1.00 52.52 N ATOM 315 CA ILE A 19 7.208 -8.922 -8.837 1.00 41.51 C ATOM 316 C ILE A 19 8.515 -8.999 -9.654 1.00 13.13 C ATOM 317 O ILE A 19 9.112 -10.078 -9.797 1.00 35.43 O ATOM 318 CB ILE A 19 5.977 -8.473 -9.748 1.00 13.03 C ATOM 319 CG1 ILE A 19 4.585 -8.793 -9.096 1.00 35.33 C ATOM 320 CG2 ILE A 19 6.036 -9.111 -11.158 1.00 13.03 C ATOM 321 CD1 ILE A 19 4.275 -8.145 -7.769 1.00 71.14 C ATOM 0 H ILE A 19 7.048 -7.078 -7.818 1.00 52.52 H new ATOM 0 HA ILE A 19 6.949 -9.911 -8.459 1.00 41.51 H new ATOM 0 HB ILE A 19 6.070 -7.391 -9.839 1.00 13.03 H new ATOM 0 HG12 ILE A 19 3.807 -8.503 -9.802 1.00 35.33 H new ATOM 0 HG13 ILE A 19 4.513 -9.873 -8.969 1.00 35.33 H new ATOM 0 HG21 ILE A 19 5.179 -8.778 -11.744 1.00 13.03 H new ATOM 0 HG22 ILE A 19 6.957 -8.807 -11.656 1.00 13.03 H new ATOM 0 HG23 ILE A 19 6.014 -10.197 -11.067 1.00 13.03 H new ATOM 0 HD11 ILE A 19 3.284 -8.453 -7.436 1.00 71.14 H new ATOM 0 HD12 ILE A 19 5.017 -8.452 -7.032 1.00 71.14 H new ATOM 0 HD13 ILE A 19 4.300 -7.061 -7.879 1.00 71.14 H new ATOM 333 N GLY A 20 8.960 -7.841 -10.148 1.00 22.30 N ATOM 334 CA GLY A 20 10.166 -7.737 -10.985 1.00 41.15 C ATOM 335 C GLY A 20 9.900 -6.948 -12.265 1.00 70.44 C ATOM 336 O GLY A 20 8.855 -6.294 -12.383 1.00 2.12 O ATOM 0 H GLY A 20 8.497 -6.947 -9.981 1.00 22.30 H new ATOM 0 HA2 GLY A 20 10.961 -7.253 -10.418 1.00 41.15 H new ATOM 0 HA3 GLY A 20 10.519 -8.736 -11.240 1.00 41.15 H new ATOM 340 N PRO A 21 10.845 -6.986 -13.261 1.00 1.15 N ATOM 341 CA PRO A 21 10.678 -6.299 -14.572 1.00 14.31 C ATOM 342 C PRO A 21 9.546 -6.920 -15.439 1.00 24.55 C ATOM 343 O PRO A 21 9.072 -6.301 -16.391 1.00 42.03 O ATOM 344 CB PRO A 21 12.079 -6.453 -15.226 1.00 60.45 C ATOM 345 CG PRO A 21 12.654 -7.686 -14.607 1.00 73.13 C ATOM 346 CD PRO A 21 12.167 -7.674 -13.178 1.00 52.14 C ATOM 0 HA PRO A 21 10.368 -5.259 -14.466 1.00 14.31 H new ATOM 0 HB2 PRO A 21 12.002 -6.553 -16.309 1.00 60.45 H new ATOM 0 HB3 PRO A 21 12.705 -5.583 -15.030 1.00 60.45 H new ATOM 0 HG2 PRO A 21 12.319 -8.582 -15.130 1.00 73.13 H new ATOM 0 HG3 PRO A 21 13.743 -7.678 -14.652 1.00 73.13 H new ATOM 0 HD2 PRO A 21 12.069 -8.684 -12.780 1.00 52.14 H new ATOM 0 HD3 PRO A 21 12.856 -7.139 -12.524 1.00 52.14 H new ATOM 354 N SER A 22 9.099 -8.134 -15.062 1.00 65.44 N ATOM 355 CA SER A 22 7.983 -8.851 -15.723 1.00 43.45 C ATOM 356 C SER A 22 6.610 -8.436 -15.121 1.00 63.32 C ATOM 357 O SER A 22 5.632 -9.201 -15.171 1.00 60.00 O ATOM 358 CB SER A 22 8.219 -10.363 -15.557 1.00 52.14 C ATOM 359 OG SER A 22 9.507 -10.727 -16.034 1.00 40.21 O ATOM 0 H SER A 22 9.504 -8.652 -14.283 1.00 65.44 H new ATOM 0 HA SER A 22 7.956 -8.590 -16.781 1.00 43.45 H new ATOM 0 HB2 SER A 22 8.124 -10.637 -14.506 1.00 52.14 H new ATOM 0 HB3 SER A 22 7.454 -10.917 -16.101 1.00 52.14 H new ATOM 0 HG SER A 22 9.638 -11.691 -15.918 1.00 40.21 H new ATOM 365 N ALA A 23 6.567 -7.204 -14.578 1.00 53.23 N ATOM 366 CA ALA A 23 5.401 -6.629 -13.912 1.00 62.25 C ATOM 367 C ALA A 23 4.191 -6.527 -14.847 1.00 12.04 C ATOM 368 O ALA A 23 4.260 -5.906 -15.912 1.00 24.10 O ATOM 369 CB ALA A 23 5.762 -5.251 -13.364 1.00 43.24 C ATOM 0 H ALA A 23 7.367 -6.572 -14.595 1.00 53.23 H new ATOM 0 HA ALA A 23 5.118 -7.294 -13.096 1.00 62.25 H new ATOM 0 HB1 ALA A 23 4.894 -4.819 -12.866 1.00 43.24 H new ATOM 0 HB2 ALA A 23 6.580 -5.346 -12.650 1.00 43.24 H new ATOM 0 HB3 ALA A 23 6.070 -4.603 -14.184 1.00 43.24 H new ATOM 375 N LYS A 24 3.089 -7.152 -14.433 1.00 23.54 N ATOM 376 CA LYS A 24 1.802 -7.072 -15.134 1.00 42.34 C ATOM 377 C LYS A 24 0.988 -5.909 -14.541 1.00 54.22 C ATOM 378 O LYS A 24 -0.114 -6.097 -14.013 1.00 60.31 O ATOM 379 CB LYS A 24 1.047 -8.430 -15.019 1.00 4.12 C ATOM 380 CG LYS A 24 1.888 -9.669 -15.417 1.00 51.12 C ATOM 381 CD LYS A 24 2.380 -9.650 -16.884 1.00 64.50 C ATOM 382 CE LYS A 24 3.271 -10.864 -17.219 1.00 10.43 C ATOM 383 NZ LYS A 24 3.671 -10.886 -18.651 1.00 54.12 N ATOM 0 H LYS A 24 3.061 -7.733 -13.595 1.00 23.54 H new ATOM 0 HA LYS A 24 1.957 -6.879 -16.196 1.00 42.34 H new ATOM 0 HB2 LYS A 24 0.704 -8.554 -13.992 1.00 4.12 H new ATOM 0 HB3 LYS A 24 0.159 -8.392 -15.650 1.00 4.12 H new ATOM 0 HG2 LYS A 24 2.752 -9.737 -14.756 1.00 51.12 H new ATOM 0 HG3 LYS A 24 1.292 -10.567 -15.256 1.00 51.12 H new ATOM 0 HD2 LYS A 24 1.520 -9.638 -17.553 1.00 64.50 H new ATOM 0 HD3 LYS A 24 2.938 -8.731 -17.066 1.00 64.50 H new ATOM 0 HE2 LYS A 24 4.164 -10.841 -16.594 1.00 10.43 H new ATOM 0 HE3 LYS A 24 2.736 -11.783 -16.978 1.00 10.43 H new ATOM 0 HZ1 LYS A 24 4.268 -11.718 -18.832 1.00 54.12 H new ATOM 0 HZ2 LYS A 24 2.821 -10.934 -19.248 1.00 54.12 H new ATOM 0 HZ3 LYS A 24 4.204 -10.022 -18.876 1.00 54.12 H new ATOM 397 N GLU A 25 1.578 -4.699 -14.607 1.00 41.51 N ATOM 398 CA GLU A 25 1.011 -3.455 -14.017 1.00 74.34 C ATOM 399 C GLU A 25 -0.333 -3.066 -14.654 1.00 44.31 C ATOM 400 O GLU A 25 -1.144 -2.352 -14.055 1.00 73.42 O ATOM 401 CB GLU A 25 2.019 -2.294 -14.174 1.00 70.02 C ATOM 402 CG GLU A 25 2.445 -2.006 -15.637 1.00 75.33 C ATOM 403 CD GLU A 25 3.311 -0.740 -15.790 1.00 4.23 C ATOM 404 OE1 GLU A 25 4.530 -0.814 -15.578 1.00 22.23 O ATOM 405 OE2 GLU A 25 2.765 0.353 -16.066 1.00 71.54 O ATOM 0 H GLU A 25 2.472 -4.549 -15.075 1.00 41.51 H new ATOM 0 HA GLU A 25 0.827 -3.650 -12.961 1.00 74.34 H new ATOM 0 HB2 GLU A 25 1.581 -1.390 -13.752 1.00 70.02 H new ATOM 0 HB3 GLU A 25 2.909 -2.521 -13.588 1.00 70.02 H new ATOM 0 HG2 GLU A 25 2.998 -2.863 -16.021 1.00 75.33 H new ATOM 0 HG3 GLU A 25 1.552 -1.902 -16.253 1.00 75.33 H new ATOM 412 N ASP A 26 -0.533 -3.560 -15.871 1.00 33.31 N ATOM 413 CA ASP A 26 -1.748 -3.335 -16.652 1.00 51.32 C ATOM 414 C ASP A 26 -2.957 -4.048 -16.011 1.00 33.10 C ATOM 415 O ASP A 26 -4.101 -3.665 -16.241 1.00 1.05 O ATOM 416 CB ASP A 26 -1.524 -3.840 -18.097 1.00 5.13 C ATOM 417 CG ASP A 26 -0.326 -3.165 -18.778 1.00 25.21 C ATOM 418 OD1 ASP A 26 0.820 -3.647 -18.601 1.00 43.33 O ATOM 419 OD2 ASP A 26 -0.508 -2.137 -19.465 1.00 24.42 O ATOM 0 H ASP A 26 0.156 -4.138 -16.352 1.00 33.31 H new ATOM 0 HA ASP A 26 -1.966 -2.267 -16.670 1.00 51.32 H new ATOM 0 HB2 ASP A 26 -1.368 -4.919 -18.081 1.00 5.13 H new ATOM 0 HB3 ASP A 26 -2.423 -3.657 -18.686 1.00 5.13 H new ATOM 424 N GLU A 27 -2.666 -5.089 -15.214 1.00 14.53 N ATOM 425 CA GLU A 27 -3.680 -5.883 -14.491 1.00 73.42 C ATOM 426 C GLU A 27 -4.028 -5.256 -13.137 1.00 43.13 C ATOM 427 O GLU A 27 -4.998 -5.663 -12.489 1.00 54.32 O ATOM 428 CB GLU A 27 -3.152 -7.327 -14.287 1.00 20.34 C ATOM 429 CG GLU A 27 -2.694 -8.027 -15.581 1.00 53.45 C ATOM 430 CD GLU A 27 -3.750 -8.009 -16.702 1.00 4.33 C ATOM 431 OE1 GLU A 27 -4.734 -8.770 -16.612 1.00 74.32 O ATOM 432 OE2 GLU A 27 -3.580 -7.258 -17.691 1.00 61.42 O ATOM 0 H GLU A 27 -1.711 -5.408 -15.050 1.00 14.53 H new ATOM 0 HA GLU A 27 -4.591 -5.901 -15.090 1.00 73.42 H new ATOM 0 HB2 GLU A 27 -2.316 -7.300 -13.588 1.00 20.34 H new ATOM 0 HB3 GLU A 27 -3.936 -7.925 -13.823 1.00 20.34 H new ATOM 0 HG2 GLU A 27 -1.785 -7.545 -15.942 1.00 53.45 H new ATOM 0 HG3 GLU A 27 -2.437 -9.061 -15.353 1.00 53.45 H new ATOM 439 N LEU A 28 -3.226 -4.283 -12.700 1.00 21.42 N ATOM 440 CA LEU A 28 -3.417 -3.602 -11.422 1.00 64.15 C ATOM 441 C LEU A 28 -4.191 -2.285 -11.655 1.00 55.35 C ATOM 442 O LEU A 28 -4.000 -1.623 -12.673 1.00 24.40 O ATOM 443 CB LEU A 28 -2.020 -3.371 -10.766 1.00 33.41 C ATOM 444 CG LEU A 28 -2.010 -3.061 -9.229 1.00 24.22 C ATOM 445 CD1 LEU A 28 -0.649 -3.387 -8.594 1.00 13.31 C ATOM 446 CD2 LEU A 28 -2.388 -1.597 -8.927 1.00 63.21 C ATOM 0 H LEU A 28 -2.421 -3.945 -13.228 1.00 21.42 H new ATOM 0 HA LEU A 28 -4.011 -4.206 -10.737 1.00 64.15 H new ATOM 0 HB2 LEU A 28 -1.411 -4.259 -10.939 1.00 33.41 H new ATOM 0 HB3 LEU A 28 -1.533 -2.545 -11.284 1.00 33.41 H new ATOM 0 HG LEU A 28 -2.768 -3.706 -8.785 1.00 24.22 H new ATOM 0 HD11 LEU A 28 -0.681 -3.159 -7.529 1.00 13.31 H new ATOM 0 HD12 LEU A 28 -0.427 -4.445 -8.732 1.00 13.31 H new ATOM 0 HD13 LEU A 28 0.127 -2.788 -9.070 1.00 13.31 H new ATOM 0 HD21 LEU A 28 -2.367 -1.431 -7.850 1.00 63.21 H new ATOM 0 HD22 LEU A 28 -1.675 -0.930 -9.411 1.00 63.21 H new ATOM 0 HD23 LEU A 28 -3.390 -1.394 -9.306 1.00 63.21 H new ATOM 458 N ASP A 29 -5.046 -1.930 -10.683 1.00 62.05 N ATOM 459 CA ASP A 29 -5.828 -0.669 -10.655 1.00 22.44 C ATOM 460 C ASP A 29 -5.978 -0.218 -9.185 1.00 64.30 C ATOM 461 O ASP A 29 -5.710 -0.999 -8.257 1.00 34.32 O ATOM 462 CB ASP A 29 -7.226 -0.896 -11.282 1.00 4.32 C ATOM 463 CG ASP A 29 -8.097 0.366 -11.443 1.00 13.33 C ATOM 464 OD1 ASP A 29 -7.963 1.073 -12.463 1.00 22.44 O ATOM 465 OD2 ASP A 29 -8.908 0.665 -10.538 1.00 60.13 O ATOM 0 H ASP A 29 -5.222 -2.522 -9.871 1.00 62.05 H new ATOM 0 HA ASP A 29 -5.312 0.099 -11.231 1.00 22.44 H new ATOM 0 HB2 ASP A 29 -7.095 -1.352 -12.263 1.00 4.32 H new ATOM 0 HB3 ASP A 29 -7.768 -1.614 -10.666 1.00 4.32 H new ATOM 470 N ASP A 30 -6.445 1.019 -8.994 1.00 22.14 N ATOM 471 CA ASP A 30 -6.612 1.642 -7.683 1.00 11.24 C ATOM 472 C ASP A 30 -7.766 0.997 -6.874 1.00 41.31 C ATOM 473 O ASP A 30 -7.605 0.668 -5.688 1.00 15.13 O ATOM 474 CB ASP A 30 -6.868 3.165 -7.883 1.00 43.10 C ATOM 475 CG ASP A 30 -7.099 3.942 -6.567 1.00 4.34 C ATOM 476 OD1 ASP A 30 -8.254 4.016 -6.093 1.00 42.45 O ATOM 477 OD2 ASP A 30 -6.133 4.489 -6.002 1.00 1.53 O ATOM 0 H ASP A 30 -6.723 1.626 -9.765 1.00 22.14 H new ATOM 0 HA ASP A 30 -5.701 1.487 -7.105 1.00 11.24 H new ATOM 0 HB2 ASP A 30 -6.016 3.601 -8.405 1.00 43.10 H new ATOM 0 HB3 ASP A 30 -7.738 3.295 -8.527 1.00 43.10 H new ATOM 482 N GLN A 31 -8.926 0.840 -7.532 1.00 72.24 N ATOM 483 CA GLN A 31 -10.166 0.320 -6.890 1.00 51.01 C ATOM 484 C GLN A 31 -10.378 -1.183 -7.168 1.00 55.20 C ATOM 485 O GLN A 31 -11.446 -1.728 -6.871 1.00 74.31 O ATOM 486 CB GLN A 31 -11.408 1.138 -7.354 1.00 55.42 C ATOM 487 CG GLN A 31 -11.333 2.653 -7.046 1.00 42.42 C ATOM 488 CD GLN A 31 -12.660 3.397 -7.252 1.00 43.11 C ATOM 489 OE1 GLN A 31 -13.483 3.018 -8.088 1.00 45.22 O ATOM 490 NE2 GLN A 31 -12.874 4.457 -6.481 1.00 2.11 N ATOM 0 H GLN A 31 -9.041 1.066 -8.520 1.00 72.24 H new ATOM 0 HA GLN A 31 -10.045 0.438 -5.813 1.00 51.01 H new ATOM 0 HB2 GLN A 31 -11.534 1.005 -8.428 1.00 55.42 H new ATOM 0 HB3 GLN A 31 -12.297 0.727 -6.876 1.00 55.42 H new ATOM 0 HG2 GLN A 31 -11.009 2.788 -6.014 1.00 42.42 H new ATOM 0 HG3 GLN A 31 -10.572 3.106 -7.681 1.00 42.42 H new ATOM 0 HE21 GLN A 31 -12.171 4.742 -5.800 1.00 2.11 H new ATOM 0 HE22 GLN A 31 -13.742 4.986 -6.570 1.00 2.11 H new ATOM 499 N THR A 32 -9.364 -1.838 -7.738 1.00 30.44 N ATOM 500 CA THR A 32 -9.334 -3.300 -7.901 1.00 33.21 C ATOM 501 C THR A 32 -8.776 -3.938 -6.623 1.00 3.23 C ATOM 502 O THR A 32 -7.745 -3.489 -6.150 1.00 15.12 O ATOM 503 CB THR A 32 -8.458 -3.674 -9.136 1.00 25.31 C ATOM 504 OG1 THR A 32 -9.112 -3.211 -10.317 1.00 14.32 O ATOM 505 CG2 THR A 32 -8.178 -5.175 -9.270 1.00 72.25 C ATOM 0 H THR A 32 -8.534 -1.370 -8.103 1.00 30.44 H new ATOM 0 HA THR A 32 -10.343 -3.676 -8.071 1.00 33.21 H new ATOM 0 HB THR A 32 -7.490 -3.194 -8.994 1.00 25.31 H new ATOM 0 HG1 THR A 32 -8.658 -3.574 -11.106 1.00 14.32 H new ATOM 0 HG21 THR A 32 -7.563 -5.353 -10.152 1.00 72.25 H new ATOM 0 HG22 THR A 32 -7.651 -5.527 -8.383 1.00 72.25 H new ATOM 0 HG23 THR A 32 -9.120 -5.713 -9.370 1.00 72.25 H new ATOM 513 N PRO A 33 -9.472 -4.976 -6.032 1.00 14.00 N ATOM 514 CA PRO A 33 -9.051 -5.611 -4.758 1.00 70.11 C ATOM 515 C PRO A 33 -7.720 -6.368 -4.914 1.00 41.43 C ATOM 516 O PRO A 33 -7.658 -7.442 -5.516 1.00 12.21 O ATOM 517 CB PRO A 33 -10.226 -6.566 -4.429 1.00 10.01 C ATOM 518 CG PRO A 33 -10.893 -6.845 -5.743 1.00 45.24 C ATOM 519 CD PRO A 33 -10.711 -5.597 -6.574 1.00 2.03 C ATOM 0 HA PRO A 33 -8.863 -4.888 -3.964 1.00 70.11 H new ATOM 0 HB2 PRO A 33 -9.867 -7.486 -3.968 1.00 10.01 H new ATOM 0 HB3 PRO A 33 -10.921 -6.107 -3.726 1.00 10.01 H new ATOM 0 HG2 PRO A 33 -10.444 -7.709 -6.233 1.00 45.24 H new ATOM 0 HG3 PRO A 33 -11.950 -7.071 -5.604 1.00 45.24 H new ATOM 0 HD2 PRO A 33 -10.607 -5.835 -7.633 1.00 2.03 H new ATOM 0 HD3 PRO A 33 -11.566 -4.928 -6.480 1.00 2.03 H new ATOM 527 N LEU A 34 -6.657 -5.788 -4.351 1.00 54.44 N ATOM 528 CA LEU A 34 -5.291 -6.294 -4.509 1.00 31.10 C ATOM 529 C LEU A 34 -5.113 -7.625 -3.755 1.00 52.35 C ATOM 530 O LEU A 34 -4.442 -8.531 -4.247 1.00 14.32 O ATOM 531 CB LEU A 34 -4.245 -5.242 -4.038 1.00 55.04 C ATOM 532 CG LEU A 34 -4.188 -3.867 -4.806 1.00 55.44 C ATOM 533 CD1 LEU A 34 -4.120 -4.040 -6.341 1.00 63.14 C ATOM 534 CD2 LEU A 34 -5.329 -2.917 -4.414 1.00 30.34 C ATOM 0 H LEU A 34 -6.720 -4.951 -3.771 1.00 54.44 H new ATOM 0 HA LEU A 34 -5.121 -6.479 -5.570 1.00 31.10 H new ATOM 0 HB2 LEU A 34 -4.434 -5.030 -2.986 1.00 55.04 H new ATOM 0 HB3 LEU A 34 -3.258 -5.701 -4.099 1.00 55.04 H new ATOM 0 HG LEU A 34 -3.254 -3.403 -4.488 1.00 55.44 H new ATOM 0 HD11 LEU A 34 -4.083 -3.060 -6.816 1.00 63.14 H new ATOM 0 HD12 LEU A 34 -3.226 -4.605 -6.604 1.00 63.14 H new ATOM 0 HD13 LEU A 34 -5.003 -4.577 -6.686 1.00 63.14 H new ATOM 0 HD21 LEU A 34 -5.237 -1.987 -4.975 1.00 30.34 H new ATOM 0 HD22 LEU A 34 -6.287 -3.385 -4.642 1.00 30.34 H new ATOM 0 HD23 LEU A 34 -5.274 -2.704 -3.347 1.00 30.34 H new ATOM 546 N LEU A 35 -5.753 -7.741 -2.576 1.00 3.13 N ATOM 547 CA LEU A 35 -5.749 -8.990 -1.767 1.00 34.43 C ATOM 548 C LEU A 35 -6.383 -10.150 -2.546 1.00 10.35 C ATOM 549 O LEU A 35 -5.811 -11.235 -2.646 1.00 45.54 O ATOM 550 CB LEU A 35 -6.549 -8.781 -0.465 1.00 15.55 C ATOM 551 CG LEU A 35 -6.007 -7.699 0.506 1.00 30.25 C ATOM 552 CD1 LEU A 35 -7.071 -7.348 1.546 1.00 52.40 C ATOM 553 CD2 LEU A 35 -4.702 -8.160 1.202 1.00 25.53 C ATOM 0 H LEU A 35 -6.286 -6.981 -2.153 1.00 3.13 H new ATOM 0 HA LEU A 35 -4.712 -9.233 -1.537 1.00 34.43 H new ATOM 0 HB2 LEU A 35 -7.574 -8.521 -0.731 1.00 15.55 H new ATOM 0 HB3 LEU A 35 -6.589 -9.731 0.068 1.00 15.55 H new ATOM 0 HG LEU A 35 -5.771 -6.810 -0.079 1.00 30.25 H new ATOM 0 HD11 LEU A 35 -6.681 -6.588 2.223 1.00 52.40 H new ATOM 0 HD12 LEU A 35 -7.959 -6.965 1.043 1.00 52.40 H new ATOM 0 HD13 LEU A 35 -7.332 -8.240 2.115 1.00 52.40 H new ATOM 0 HD21 LEU A 35 -4.352 -7.377 1.874 1.00 25.53 H new ATOM 0 HD22 LEU A 35 -4.895 -9.068 1.773 1.00 25.53 H new ATOM 0 HD23 LEU A 35 -3.939 -8.360 0.449 1.00 25.53 H new ATOM 565 N GLU A 36 -7.567 -9.876 -3.098 1.00 74.24 N ATOM 566 CA GLU A 36 -8.372 -10.854 -3.849 1.00 25.23 C ATOM 567 C GLU A 36 -7.670 -11.286 -5.145 1.00 64.31 C ATOM 568 O GLU A 36 -7.975 -12.344 -5.701 1.00 51.44 O ATOM 569 CB GLU A 36 -9.769 -10.253 -4.163 1.00 44.45 C ATOM 570 CG GLU A 36 -10.764 -10.201 -2.973 1.00 32.34 C ATOM 571 CD GLU A 36 -10.180 -9.656 -1.653 1.00 45.50 C ATOM 572 OE1 GLU A 36 -9.908 -8.437 -1.568 1.00 70.12 O ATOM 573 OE2 GLU A 36 -9.945 -10.447 -0.708 1.00 32.44 O ATOM 0 H GLU A 36 -8.004 -8.956 -3.037 1.00 74.24 H new ATOM 0 HA GLU A 36 -8.492 -11.743 -3.230 1.00 25.23 H new ATOM 0 HB2 GLU A 36 -9.631 -9.240 -4.542 1.00 44.45 H new ATOM 0 HB3 GLU A 36 -10.222 -10.835 -4.966 1.00 44.45 H new ATOM 0 HG2 GLU A 36 -11.615 -9.582 -3.258 1.00 32.34 H new ATOM 0 HG3 GLU A 36 -11.146 -11.206 -2.795 1.00 32.34 H new ATOM 580 N TRP A 37 -6.733 -10.457 -5.625 1.00 55.33 N ATOM 581 CA TRP A 37 -5.932 -10.765 -6.831 1.00 61.53 C ATOM 582 C TRP A 37 -4.529 -11.316 -6.457 1.00 24.14 C ATOM 583 O TRP A 37 -3.672 -11.478 -7.330 1.00 72.10 O ATOM 584 CB TRP A 37 -5.848 -9.507 -7.737 1.00 53.03 C ATOM 585 CG TRP A 37 -7.158 -9.158 -8.437 1.00 30.13 C ATOM 586 CD1 TRP A 37 -8.415 -9.124 -7.889 1.00 52.32 C ATOM 587 CD2 TRP A 37 -7.326 -8.785 -9.815 1.00 51.01 C ATOM 588 NE1 TRP A 37 -9.339 -8.780 -8.831 1.00 73.50 N ATOM 589 CE2 TRP A 37 -8.701 -8.555 -10.023 1.00 32.04 C ATOM 590 CE3 TRP A 37 -6.448 -8.621 -10.891 1.00 40.30 C ATOM 591 CZ2 TRP A 37 -9.215 -8.177 -11.259 1.00 14.23 C ATOM 592 CZ3 TRP A 37 -6.964 -8.242 -12.118 1.00 22.53 C ATOM 593 CH2 TRP A 37 -8.336 -8.019 -12.290 1.00 45.23 C ATOM 0 H TRP A 37 -6.506 -9.560 -5.197 1.00 55.33 H new ATOM 0 HA TRP A 37 -6.428 -11.556 -7.394 1.00 61.53 H new ATOM 0 HB2 TRP A 37 -5.533 -8.657 -7.132 1.00 53.03 H new ATOM 0 HB3 TRP A 37 -5.076 -9.665 -8.490 1.00 53.03 H new ATOM 0 HD1 TRP A 37 -8.641 -9.340 -6.855 1.00 52.32 H new ATOM 0 HE1 TRP A 37 -10.344 -8.703 -8.674 1.00 73.50 H new ATOM 0 HE3 TRP A 37 -5.388 -8.787 -10.767 1.00 40.30 H new ATOM 0 HZ2 TRP A 37 -10.274 -8.014 -11.398 1.00 14.23 H new ATOM 0 HZ3 TRP A 37 -6.297 -8.116 -12.958 1.00 22.53 H new ATOM 0 HH2 TRP A 37 -8.705 -7.716 -13.259 1.00 45.23 H new ATOM 604 N GLY A 38 -4.331 -11.628 -5.162 1.00 5.04 N ATOM 605 CA GLY A 38 -3.089 -12.257 -4.669 1.00 62.44 C ATOM 606 C GLY A 38 -1.851 -11.358 -4.717 1.00 42.12 C ATOM 607 O GLY A 38 -0.721 -11.845 -4.621 1.00 71.40 O ATOM 0 H GLY A 38 -5.022 -11.453 -4.432 1.00 5.04 H new ATOM 0 HA2 GLY A 38 -3.246 -12.581 -3.640 1.00 62.44 H new ATOM 0 HA3 GLY A 38 -2.893 -13.153 -5.258 1.00 62.44 H new ATOM 611 N ILE A 39 -2.083 -10.051 -4.825 1.00 72.35 N ATOM 612 CA ILE A 39 -1.032 -9.032 -4.979 1.00 35.20 C ATOM 613 C ILE A 39 -0.421 -8.685 -3.608 1.00 23.51 C ATOM 614 O ILE A 39 0.708 -8.213 -3.533 1.00 4.11 O ATOM 615 CB ILE A 39 -1.650 -7.760 -5.699 1.00 72.31 C ATOM 616 CG1 ILE A 39 -2.186 -8.162 -7.120 1.00 75.21 C ATOM 617 CG2 ILE A 39 -0.660 -6.571 -5.790 1.00 32.41 C ATOM 618 CD1 ILE A 39 -2.890 -7.057 -7.894 1.00 21.45 C ATOM 0 H ILE A 39 -3.024 -9.657 -4.808 1.00 72.35 H new ATOM 0 HA ILE A 39 -0.222 -9.415 -5.599 1.00 35.20 H new ATOM 0 HB ILE A 39 -2.479 -7.410 -5.084 1.00 72.31 H new ATOM 0 HG12 ILE A 39 -1.348 -8.521 -7.717 1.00 75.21 H new ATOM 0 HG13 ILE A 39 -2.877 -8.997 -7.005 1.00 75.21 H new ATOM 0 HG21 ILE A 39 -1.143 -5.733 -6.293 1.00 32.41 H new ATOM 0 HG22 ILE A 39 -0.361 -6.269 -4.786 1.00 32.41 H new ATOM 0 HG23 ILE A 39 0.221 -6.874 -6.355 1.00 32.41 H new ATOM 0 HD11 ILE A 39 -3.219 -7.442 -8.859 1.00 21.45 H new ATOM 0 HD12 ILE A 39 -3.754 -6.710 -7.328 1.00 21.45 H new ATOM 0 HD13 ILE A 39 -2.201 -6.227 -8.050 1.00 21.45 H new ATOM 630 N LEU A 40 -1.173 -8.954 -2.519 1.00 73.11 N ATOM 631 CA LEU A 40 -0.736 -8.660 -1.137 1.00 23.22 C ATOM 632 C LEU A 40 -0.909 -9.866 -0.212 1.00 71.14 C ATOM 633 O LEU A 40 -2.039 -10.280 0.061 1.00 21.34 O ATOM 634 CB LEU A 40 -1.571 -7.498 -0.580 1.00 1.05 C ATOM 635 CG LEU A 40 -1.519 -6.169 -1.373 1.00 63.24 C ATOM 636 CD1 LEU A 40 -2.606 -5.201 -0.887 1.00 2.22 C ATOM 637 CD2 LEU A 40 -0.121 -5.541 -1.287 1.00 52.13 C ATOM 0 H LEU A 40 -2.098 -9.380 -2.573 1.00 73.11 H new ATOM 0 HA LEU A 40 0.323 -8.404 -1.174 1.00 23.22 H new ATOM 0 HB2 LEU A 40 -2.610 -7.821 -0.523 1.00 1.05 H new ATOM 0 HB3 LEU A 40 -1.242 -7.300 0.440 1.00 1.05 H new ATOM 0 HG LEU A 40 -1.719 -6.384 -2.423 1.00 63.24 H new ATOM 0 HD11 LEU A 40 -2.550 -4.274 -1.458 1.00 2.22 H new ATOM 0 HD12 LEU A 40 -3.587 -5.655 -1.027 1.00 2.22 H new ATOM 0 HD13 LEU A 40 -2.454 -4.985 0.171 1.00 2.22 H new ATOM 0 HD21 LEU A 40 -0.106 -4.608 -1.851 1.00 52.13 H new ATOM 0 HD22 LEU A 40 0.124 -5.339 -0.244 1.00 52.13 H new ATOM 0 HD23 LEU A 40 0.613 -6.229 -1.705 1.00 52.13 H new ATOM 649 N ASN A 41 0.225 -10.390 0.281 1.00 23.14 N ATOM 650 CA ASN A 41 0.296 -11.369 1.387 1.00 11.35 C ATOM 651 C ASN A 41 1.620 -11.164 2.135 1.00 24.43 C ATOM 652 O ASN A 41 2.473 -10.412 1.653 1.00 61.40 O ATOM 653 CB ASN A 41 0.175 -12.844 0.906 1.00 72.15 C ATOM 654 CG ASN A 41 -1.230 -13.232 0.439 1.00 63.24 C ATOM 655 OD1 ASN A 41 -2.072 -13.628 1.242 1.00 71.40 O ATOM 656 ND2 ASN A 41 -1.489 -13.137 -0.857 1.00 10.32 N ATOM 0 H ASN A 41 1.144 -10.140 -0.086 1.00 23.14 H new ATOM 0 HA ASN A 41 -0.555 -11.193 2.045 1.00 11.35 H new ATOM 0 HB2 ASN A 41 0.877 -13.008 0.088 1.00 72.15 H new ATOM 0 HB3 ASN A 41 0.473 -13.506 1.719 1.00 72.15 H new ATOM 0 HD21 ASN A 41 -2.409 -13.396 -1.214 1.00 10.32 H new ATOM 0 HD22 ASN A 41 -0.769 -12.805 -1.498 1.00 10.32 H new ATOM 663 N SER A 42 1.796 -11.872 3.282 1.00 41.24 N ATOM 664 CA SER A 42 2.907 -11.645 4.265 1.00 65.42 C ATOM 665 C SER A 42 4.305 -11.485 3.627 1.00 64.44 C ATOM 666 O SER A 42 5.124 -10.735 4.137 1.00 51.42 O ATOM 667 CB SER A 42 2.966 -12.805 5.278 1.00 35.33 C ATOM 668 OG SER A 42 1.765 -12.910 6.024 1.00 24.21 O ATOM 0 H SER A 42 1.168 -12.626 3.560 1.00 41.24 H new ATOM 0 HA SER A 42 2.667 -10.699 4.750 1.00 65.42 H new ATOM 0 HB2 SER A 42 3.150 -13.741 4.750 1.00 35.33 H new ATOM 0 HB3 SER A 42 3.805 -12.653 5.957 1.00 35.33 H new ATOM 673 N MET A 43 4.535 -12.214 2.535 1.00 64.44 N ATOM 674 CA MET A 43 5.826 -12.255 1.829 1.00 55.33 C ATOM 675 C MET A 43 6.290 -10.840 1.429 1.00 0.13 C ATOM 676 O MET A 43 7.414 -10.438 1.714 1.00 73.32 O ATOM 677 CB MET A 43 5.698 -13.120 0.551 1.00 72.12 C ATOM 678 CG MET A 43 5.117 -14.519 0.758 1.00 72.55 C ATOM 679 SD MET A 43 4.345 -15.145 -0.752 1.00 2.43 S ATOM 680 CE MET A 43 3.061 -13.909 -1.036 1.00 11.11 C ATOM 0 H MET A 43 3.822 -12.803 2.105 1.00 64.44 H new ATOM 0 HA MET A 43 6.563 -12.688 2.506 1.00 55.33 H new ATOM 0 HB2 MET A 43 5.072 -12.588 -0.165 1.00 72.12 H new ATOM 0 HB3 MET A 43 6.685 -13.219 0.100 1.00 72.12 H new ATOM 0 HG2 MET A 43 5.908 -15.200 1.073 1.00 72.55 H new ATOM 0 HG3 MET A 43 4.380 -14.493 1.561 1.00 72.55 H new ATOM 0 HE1 MET A 43 2.103 -14.407 -1.185 1.00 11.11 H new ATOM 0 HE2 MET A 43 2.996 -13.247 -0.172 1.00 11.11 H new ATOM 0 HE3 MET A 43 3.308 -13.325 -1.923 1.00 11.11 H new ATOM 690 N ASN A 44 5.390 -10.097 0.769 1.00 43.41 N ATOM 691 CA ASN A 44 5.731 -8.826 0.096 1.00 3.32 C ATOM 692 C ASN A 44 5.044 -7.614 0.746 1.00 1.14 C ATOM 693 O ASN A 44 5.484 -6.476 0.547 1.00 54.24 O ATOM 694 CB ASN A 44 5.380 -8.918 -1.416 1.00 70.52 C ATOM 695 CG ASN A 44 3.886 -9.012 -1.758 1.00 42.14 C ATOM 696 OD1 ASN A 44 3.092 -9.582 -1.007 1.00 53.42 O ATOM 697 ND2 ASN A 44 3.505 -8.443 -2.904 1.00 43.31 N ATOM 0 H ASN A 44 4.407 -10.355 0.684 1.00 43.41 H new ATOM 0 HA ASN A 44 6.804 -8.671 0.208 1.00 3.32 H new ATOM 0 HB2 ASN A 44 5.792 -8.043 -1.918 1.00 70.52 H new ATOM 0 HB3 ASN A 44 5.883 -9.791 -1.833 1.00 70.52 H new ATOM 0 HD21 ASN A 44 2.525 -8.470 -3.186 1.00 43.31 H new ATOM 0 HD22 ASN A 44 4.194 -7.981 -3.498 1.00 43.31 H new ATOM 704 N ILE A 45 3.988 -7.863 1.534 1.00 5.45 N ATOM 705 CA ILE A 45 3.175 -6.802 2.172 1.00 54.32 C ATOM 706 C ILE A 45 3.971 -6.052 3.274 1.00 64.04 C ATOM 707 O ILE A 45 3.670 -4.899 3.596 1.00 22.02 O ATOM 708 CB ILE A 45 1.842 -7.416 2.754 1.00 23.14 C ATOM 709 CG1 ILE A 45 0.692 -6.361 2.814 1.00 20.42 C ATOM 710 CG2 ILE A 45 2.064 -8.072 4.151 1.00 3.23 C ATOM 711 CD1 ILE A 45 -0.650 -6.957 3.204 1.00 1.12 C ATOM 0 H ILE A 45 3.668 -8.807 1.751 1.00 5.45 H new ATOM 0 HA ILE A 45 2.919 -6.068 1.408 1.00 54.32 H new ATOM 0 HB ILE A 45 1.536 -8.202 2.063 1.00 23.14 H new ATOM 0 HG12 ILE A 45 0.958 -5.584 3.530 1.00 20.42 H new ATOM 0 HG13 ILE A 45 0.599 -5.879 1.841 1.00 20.42 H new ATOM 0 HG21 ILE A 45 1.122 -8.482 4.514 1.00 3.23 H new ATOM 0 HG22 ILE A 45 2.798 -8.873 4.064 1.00 3.23 H new ATOM 0 HG23 ILE A 45 2.427 -7.321 4.852 1.00 3.23 H new ATOM 0 HD11 ILE A 45 -1.404 -6.171 3.227 1.00 1.12 H new ATOM 0 HD12 ILE A 45 -0.937 -7.715 2.475 1.00 1.12 H new ATOM 0 HD13 ILE A 45 -0.572 -7.414 4.191 1.00 1.12 H new ATOM 723 N VAL A 46 5.000 -6.733 3.827 1.00 33.23 N ATOM 724 CA VAL A 46 5.883 -6.176 4.875 1.00 13.43 C ATOM 725 C VAL A 46 6.782 -5.063 4.302 1.00 42.42 C ATOM 726 O VAL A 46 7.196 -4.126 5.003 1.00 43.32 O ATOM 727 CB VAL A 46 6.736 -7.319 5.532 1.00 63.43 C ATOM 728 CG1 VAL A 46 7.611 -6.778 6.683 1.00 2.40 C ATOM 729 CG2 VAL A 46 5.826 -8.464 6.045 1.00 33.14 C ATOM 0 H VAL A 46 5.241 -7.687 3.558 1.00 33.23 H new ATOM 0 HA VAL A 46 5.262 -5.728 5.651 1.00 13.43 H new ATOM 0 HB VAL A 46 7.396 -7.717 4.761 1.00 63.43 H new ATOM 0 HG11 VAL A 46 8.189 -7.595 7.116 1.00 2.40 H new ATOM 0 HG12 VAL A 46 8.290 -6.018 6.297 1.00 2.40 H new ATOM 0 HG13 VAL A 46 6.973 -6.339 7.450 1.00 2.40 H new ATOM 0 HG21 VAL A 46 6.441 -9.243 6.496 1.00 33.14 H new ATOM 0 HG22 VAL A 46 5.133 -8.072 6.790 1.00 33.14 H new ATOM 0 HG23 VAL A 46 5.263 -8.883 5.211 1.00 33.14 H new ATOM 739 N LYS A 47 7.018 -5.152 2.992 1.00 51.10 N ATOM 740 CA LYS A 47 7.842 -4.190 2.249 1.00 61.23 C ATOM 741 C LYS A 47 7.068 -2.872 2.069 1.00 34.03 C ATOM 742 O LYS A 47 7.672 -1.806 1.970 1.00 53.42 O ATOM 743 CB LYS A 47 8.297 -4.771 0.885 1.00 70.54 C ATOM 744 CG LYS A 47 9.354 -5.896 0.977 1.00 22.44 C ATOM 745 CD LYS A 47 8.841 -7.165 1.687 1.00 42.50 C ATOM 746 CE LYS A 47 9.863 -8.306 1.681 1.00 64.44 C ATOM 747 NZ LYS A 47 11.139 -7.928 2.338 1.00 41.12 N ATOM 0 H LYS A 47 6.640 -5.899 2.410 1.00 51.10 H new ATOM 0 HA LYS A 47 8.745 -3.987 2.824 1.00 61.23 H new ATOM 0 HB2 LYS A 47 7.422 -5.156 0.361 1.00 70.54 H new ATOM 0 HB3 LYS A 47 8.702 -3.961 0.278 1.00 70.54 H new ATOM 0 HG2 LYS A 47 9.681 -6.159 -0.029 1.00 22.44 H new ATOM 0 HG3 LYS A 47 10.228 -5.520 1.509 1.00 22.44 H new ATOM 0 HD2 LYS A 47 8.584 -6.920 2.717 1.00 42.50 H new ATOM 0 HD3 LYS A 47 7.925 -7.502 1.201 1.00 42.50 H new ATOM 0 HE2 LYS A 47 9.439 -9.172 2.189 1.00 64.44 H new ATOM 0 HE3 LYS A 47 10.062 -8.606 0.652 1.00 64.44 H new ATOM 0 HZ1 LYS A 47 11.771 -8.753 2.368 1.00 41.12 H new ATOM 0 HZ2 LYS A 47 11.593 -7.163 1.800 1.00 41.12 H new ATOM 0 HZ3 LYS A 47 10.947 -7.603 3.307 1.00 41.12 H new ATOM 761 N LEU A 48 5.723 -2.971 2.044 1.00 74.21 N ATOM 762 CA LEU A 48 4.827 -1.802 1.990 1.00 41.25 C ATOM 763 C LEU A 48 4.820 -1.058 3.336 1.00 64.43 C ATOM 764 O LEU A 48 4.729 0.162 3.352 1.00 42.12 O ATOM 765 CB LEU A 48 3.377 -2.201 1.577 1.00 50.11 C ATOM 766 CG LEU A 48 3.161 -2.571 0.064 1.00 14.30 C ATOM 767 CD1 LEU A 48 3.657 -1.430 -0.871 1.00 3.12 C ATOM 768 CD2 LEU A 48 3.818 -3.920 -0.320 1.00 32.43 C ATOM 0 H LEU A 48 5.230 -3.864 2.061 1.00 74.21 H new ATOM 0 HA LEU A 48 5.214 -1.132 1.223 1.00 41.25 H new ATOM 0 HB2 LEU A 48 3.070 -3.052 2.185 1.00 50.11 H new ATOM 0 HB3 LEU A 48 2.711 -1.375 1.826 1.00 50.11 H new ATOM 0 HG LEU A 48 2.086 -2.690 -0.075 1.00 14.30 H new ATOM 0 HD11 LEU A 48 3.495 -1.715 -1.910 1.00 3.12 H new ATOM 0 HD12 LEU A 48 3.104 -0.516 -0.655 1.00 3.12 H new ATOM 0 HD13 LEU A 48 4.720 -1.259 -0.704 1.00 3.12 H new ATOM 0 HD21 LEU A 48 3.637 -4.125 -1.375 1.00 32.43 H new ATOM 0 HD22 LEU A 48 4.892 -3.866 -0.139 1.00 32.43 H new ATOM 0 HD23 LEU A 48 3.388 -4.719 0.284 1.00 32.43 H new ATOM 780 N MET A 49 4.962 -1.804 4.450 1.00 41.50 N ATOM 781 CA MET A 49 4.963 -1.228 5.824 1.00 64.43 C ATOM 782 C MET A 49 6.114 -0.219 5.982 1.00 32.31 C ATOM 783 O MET A 49 5.913 0.917 6.432 1.00 31.31 O ATOM 784 CB MET A 49 5.103 -2.348 6.895 1.00 22.53 C ATOM 785 CG MET A 49 4.090 -3.487 6.784 1.00 21.00 C ATOM 786 SD MET A 49 4.483 -4.838 7.922 1.00 20.34 S ATOM 787 CE MET A 49 3.348 -6.120 7.404 1.00 62.12 C ATOM 0 H MET A 49 5.079 -2.817 4.431 1.00 41.50 H new ATOM 0 HA MET A 49 4.012 -0.716 5.973 1.00 64.43 H new ATOM 0 HB2 MET A 49 6.107 -2.768 6.829 1.00 22.53 H new ATOM 0 HB3 MET A 49 5.011 -1.897 7.883 1.00 22.53 H new ATOM 0 HG2 MET A 49 3.091 -3.109 6.998 1.00 21.00 H new ATOM 0 HG3 MET A 49 4.076 -3.864 5.761 1.00 21.00 H new ATOM 0 HE1 MET A 49 3.144 -6.786 8.243 1.00 62.12 H new ATOM 0 HE2 MET A 49 2.416 -5.666 7.066 1.00 62.12 H new ATOM 0 HE3 MET A 49 3.791 -6.690 6.588 1.00 62.12 H new ATOM 797 N VAL A 50 7.321 -0.660 5.584 1.00 73.14 N ATOM 798 CA VAL A 50 8.541 0.168 5.646 1.00 1.13 C ATOM 799 C VAL A 50 8.580 1.193 4.489 1.00 5.21 C ATOM 800 O VAL A 50 9.236 2.237 4.600 1.00 70.14 O ATOM 801 CB VAL A 50 9.839 -0.720 5.649 1.00 61.42 C ATOM 802 CG1 VAL A 50 9.972 -1.533 4.347 1.00 62.44 C ATOM 803 CG2 VAL A 50 11.118 0.117 5.912 1.00 32.34 C ATOM 0 H VAL A 50 7.479 -1.596 5.212 1.00 73.14 H new ATOM 0 HA VAL A 50 8.513 0.720 6.586 1.00 1.13 H new ATOM 0 HB VAL A 50 9.735 -1.423 6.475 1.00 61.42 H new ATOM 0 HG11 VAL A 50 10.880 -2.135 4.385 1.00 62.44 H new ATOM 0 HG12 VAL A 50 9.107 -2.188 4.237 1.00 62.44 H new ATOM 0 HG13 VAL A 50 10.023 -0.853 3.497 1.00 62.44 H new ATOM 0 HG21 VAL A 50 11.989 -0.538 5.905 1.00 32.34 H new ATOM 0 HG22 VAL A 50 11.225 0.872 5.133 1.00 32.34 H new ATOM 0 HG23 VAL A 50 11.039 0.606 6.883 1.00 32.34 H new ATOM 813 N TYR A 51 7.863 0.896 3.385 1.00 20.11 N ATOM 814 CA TYR A 51 7.739 1.825 2.243 1.00 21.21 C ATOM 815 C TYR A 51 7.066 3.118 2.713 1.00 74.32 C ATOM 816 O TYR A 51 7.555 4.204 2.477 1.00 44.14 O ATOM 817 CB TYR A 51 6.915 1.197 1.091 1.00 34.03 C ATOM 818 CG TYR A 51 7.071 1.935 -0.248 1.00 64.43 C ATOM 819 CD1 TYR A 51 8.277 1.884 -0.949 1.00 41.11 C ATOM 820 CD2 TYR A 51 6.028 2.672 -0.806 1.00 44.23 C ATOM 821 CE1 TYR A 51 8.434 2.539 -2.154 1.00 24.24 C ATOM 822 CE2 TYR A 51 6.178 3.326 -2.008 1.00 3.44 C ATOM 823 CZ TYR A 51 7.382 3.260 -2.683 1.00 25.40 C ATOM 824 OH TYR A 51 7.532 3.926 -3.884 1.00 41.54 O ATOM 0 H TYR A 51 7.360 0.017 3.261 1.00 20.11 H new ATOM 0 HA TYR A 51 8.738 2.039 1.864 1.00 21.21 H new ATOM 0 HB2 TYR A 51 7.219 0.158 0.962 1.00 34.03 H new ATOM 0 HB3 TYR A 51 5.862 1.188 1.371 1.00 34.03 H new ATOM 0 HD1 TYR A 51 9.103 1.321 -0.541 1.00 41.11 H new ATOM 0 HD2 TYR A 51 5.084 2.731 -0.285 1.00 44.23 H new ATOM 0 HE1 TYR A 51 9.376 2.488 -2.681 1.00 24.24 H new ATOM 0 HE2 TYR A 51 5.356 3.890 -2.423 1.00 3.44 H new ATOM 0 HH TYR A 51 7.000 3.479 -4.575 1.00 41.54 H new ATOM 834 N ILE A 52 5.955 2.936 3.425 1.00 1.50 N ATOM 835 CA ILE A 52 5.125 4.025 3.951 1.00 24.24 C ATOM 836 C ILE A 52 5.866 4.784 5.074 1.00 74.11 C ATOM 837 O ILE A 52 5.763 6.014 5.193 1.00 14.15 O ATOM 838 CB ILE A 52 3.754 3.428 4.439 1.00 73.42 C ATOM 839 CG1 ILE A 52 3.023 2.717 3.243 1.00 42.42 C ATOM 840 CG2 ILE A 52 2.863 4.512 5.061 1.00 65.44 C ATOM 841 CD1 ILE A 52 1.924 1.751 3.638 1.00 72.11 C ATOM 0 H ILE A 52 5.597 2.010 3.658 1.00 1.50 H new ATOM 0 HA ILE A 52 4.924 4.754 3.166 1.00 24.24 H new ATOM 0 HB ILE A 52 3.957 2.690 5.215 1.00 73.42 H new ATOM 0 HG12 ILE A 52 2.596 3.481 2.594 1.00 42.42 H new ATOM 0 HG13 ILE A 52 3.765 2.177 2.655 1.00 42.42 H new ATOM 0 HG21 ILE A 52 1.923 4.067 5.388 1.00 65.44 H new ATOM 0 HG22 ILE A 52 3.372 4.955 5.917 1.00 65.44 H new ATOM 0 HG23 ILE A 52 2.660 5.285 4.320 1.00 65.44 H new ATOM 0 HD11 ILE A 52 1.484 1.315 2.742 1.00 72.11 H new ATOM 0 HD12 ILE A 52 2.342 0.959 4.260 1.00 72.11 H new ATOM 0 HD13 ILE A 52 1.155 2.284 4.197 1.00 72.11 H new ATOM 853 N ARG A 53 6.641 4.018 5.864 1.00 31.24 N ATOM 854 CA ARG A 53 7.557 4.542 6.901 1.00 2.23 C ATOM 855 C ARG A 53 8.613 5.495 6.301 1.00 73.54 C ATOM 856 O ARG A 53 9.055 6.444 6.952 1.00 23.45 O ATOM 857 CB ARG A 53 8.248 3.351 7.602 1.00 0.10 C ATOM 858 CG ARG A 53 9.240 3.719 8.729 1.00 3.44 C ATOM 859 CD ARG A 53 9.844 2.474 9.399 1.00 75.34 C ATOM 860 NE ARG A 53 10.679 2.833 10.554 1.00 30.14 N ATOM 861 CZ ARG A 53 10.679 2.213 11.744 1.00 31.51 C ATOM 862 NH1 ARG A 53 9.896 1.163 11.973 1.00 24.45 N ATOM 863 NH2 ARG A 53 11.470 2.663 12.710 1.00 33.53 N ATOM 0 H ARG A 53 6.650 3.000 5.801 1.00 31.24 H new ATOM 0 HA ARG A 53 6.976 5.118 7.622 1.00 2.23 H new ATOM 0 HB2 ARG A 53 7.478 2.702 8.019 1.00 0.10 H new ATOM 0 HB3 ARG A 53 8.781 2.770 6.849 1.00 0.10 H new ATOM 0 HG2 ARG A 53 10.041 4.334 8.319 1.00 3.44 H new ATOM 0 HG3 ARG A 53 8.728 4.321 9.479 1.00 3.44 H new ATOM 0 HD2 ARG A 53 9.043 1.809 9.721 1.00 75.34 H new ATOM 0 HD3 ARG A 53 10.443 1.924 8.673 1.00 75.34 H new ATOM 0 HE ARG A 53 11.314 3.623 10.441 1.00 30.14 H new ATOM 0 HH11 ARG A 53 9.281 0.815 11.237 1.00 24.45 H new ATOM 0 HH12 ARG A 53 9.910 0.705 12.884 1.00 24.45 H new ATOM 0 HH21 ARG A 53 12.069 3.472 12.544 1.00 33.53 H new ATOM 0 HH22 ARG A 53 11.479 2.200 13.619 1.00 33.53 H new ATOM 877 N ASP A 54 8.997 5.229 5.049 1.00 11.52 N ATOM 878 CA ASP A 54 10.043 5.986 4.336 1.00 34.34 C ATOM 879 C ASP A 54 9.450 7.188 3.577 1.00 10.05 C ATOM 880 O ASP A 54 9.928 8.319 3.715 1.00 54.34 O ATOM 881 CB ASP A 54 10.780 5.026 3.369 1.00 4.05 C ATOM 882 CG ASP A 54 11.891 5.704 2.567 1.00 12.54 C ATOM 883 OD1 ASP A 54 13.008 5.870 3.106 1.00 62.21 O ATOM 884 OD2 ASP A 54 11.658 6.076 1.400 1.00 64.34 O ATOM 0 H ASP A 54 8.590 4.477 4.493 1.00 11.52 H new ATOM 0 HA ASP A 54 10.750 6.389 5.061 1.00 34.34 H new ATOM 0 HB2 ASP A 54 11.207 4.203 3.942 1.00 4.05 H new ATOM 0 HB3 ASP A 54 10.057 4.593 2.678 1.00 4.05 H new ATOM 889 N GLU A 55 8.396 6.929 2.790 1.00 54.30 N ATOM 890 CA GLU A 55 7.811 7.919 1.869 1.00 64.13 C ATOM 891 C GLU A 55 6.933 8.935 2.618 1.00 15.33 C ATOM 892 O GLU A 55 7.148 10.150 2.525 1.00 63.54 O ATOM 893 CB GLU A 55 6.982 7.211 0.757 1.00 74.45 C ATOM 894 CG GLU A 55 7.727 6.099 -0.030 1.00 31.12 C ATOM 895 CD GLU A 55 8.904 6.542 -0.922 1.00 74.05 C ATOM 896 OE1 GLU A 55 9.204 7.746 -1.037 1.00 53.41 O ATOM 897 OE2 GLU A 55 9.521 5.660 -1.560 1.00 31.20 O ATOM 0 H GLU A 55 7.923 6.026 2.773 1.00 54.30 H new ATOM 0 HA GLU A 55 8.634 8.462 1.405 1.00 64.13 H new ATOM 0 HB2 GLU A 55 6.093 6.775 1.213 1.00 74.45 H new ATOM 0 HB3 GLU A 55 6.639 7.965 0.049 1.00 74.45 H new ATOM 0 HG2 GLU A 55 8.102 5.369 0.688 1.00 31.12 H new ATOM 0 HG3 GLU A 55 7.001 5.584 -0.659 1.00 31.12 H new ATOM 904 N MET A 56 5.928 8.418 3.351 1.00 4.40 N ATOM 905 CA MET A 56 4.965 9.247 4.124 1.00 2.12 C ATOM 906 C MET A 56 5.473 9.509 5.554 1.00 41.24 C ATOM 907 O MET A 56 4.870 10.297 6.285 1.00 64.45 O ATOM 908 CB MET A 56 3.561 8.574 4.143 1.00 42.33 C ATOM 909 CG MET A 56 2.802 8.694 2.819 1.00 33.44 C ATOM 910 SD MET A 56 3.695 8.001 1.411 1.00 5.15 S ATOM 911 CE MET A 56 3.387 6.254 1.578 1.00 21.44 C ATOM 0 H MET A 56 5.756 7.416 3.428 1.00 4.40 H new ATOM 0 HA MET A 56 4.876 10.213 3.628 1.00 2.12 H new ATOM 0 HB2 MET A 56 3.677 7.519 4.390 1.00 42.33 H new ATOM 0 HB3 MET A 56 2.963 9.023 4.936 1.00 42.33 H new ATOM 0 HG2 MET A 56 1.841 8.189 2.913 1.00 33.44 H new ATOM 0 HG3 MET A 56 2.592 9.746 2.624 1.00 33.44 H new ATOM 0 HE1 MET A 56 4.022 5.705 0.883 1.00 21.44 H new ATOM 0 HE2 MET A 56 3.609 5.941 2.598 1.00 21.44 H new ATOM 0 HE3 MET A 56 2.341 6.046 1.355 1.00 21.44 H new ATOM 921 N GLY A 57 6.582 8.844 5.936 1.00 5.20 N ATOM 922 CA GLY A 57 7.201 9.045 7.252 1.00 11.21 C ATOM 923 C GLY A 57 6.401 8.437 8.398 1.00 32.44 C ATOM 924 O GLY A 57 6.615 8.796 9.560 1.00 74.10 O ATOM 0 H GLY A 57 7.064 8.164 5.348 1.00 5.20 H new ATOM 0 HA2 GLY A 57 8.200 8.609 7.245 1.00 11.21 H new ATOM 0 HA3 GLY A 57 7.320 10.114 7.429 1.00 11.21 H new ATOM 928 N VAL A 58 5.497 7.500 8.080 1.00 64.23 N ATOM 929 CA VAL A 58 4.608 6.870 9.076 1.00 63.00 C ATOM 930 C VAL A 58 4.656 5.345 8.904 1.00 60.21 C ATOM 931 O VAL A 58 4.316 4.816 7.846 1.00 51.44 O ATOM 932 CB VAL A 58 3.126 7.428 8.966 1.00 14.43 C ATOM 933 CG1 VAL A 58 2.570 7.338 7.525 1.00 13.33 C ATOM 934 CG2 VAL A 58 2.181 6.718 9.959 1.00 54.13 C ATOM 0 H VAL A 58 5.359 7.156 7.130 1.00 64.23 H new ATOM 0 HA VAL A 58 4.959 7.121 10.077 1.00 63.00 H new ATOM 0 HB VAL A 58 3.172 8.484 9.232 1.00 14.43 H new ATOM 0 HG11 VAL A 58 1.554 7.732 7.502 1.00 13.33 H new ATOM 0 HG12 VAL A 58 3.201 7.922 6.855 1.00 13.33 H new ATOM 0 HG13 VAL A 58 2.563 6.297 7.202 1.00 13.33 H new ATOM 0 HG21 VAL A 58 1.175 7.124 9.857 1.00 54.13 H new ATOM 0 HG22 VAL A 58 2.164 5.649 9.745 1.00 54.13 H new ATOM 0 HG23 VAL A 58 2.536 6.879 10.977 1.00 54.13 H new ATOM 944 N SER A 59 5.131 4.638 9.938 1.00 65.31 N ATOM 945 CA SER A 59 5.187 3.183 9.934 1.00 33.55 C ATOM 946 C SER A 59 3.842 2.651 10.422 1.00 55.14 C ATOM 947 O SER A 59 3.351 3.074 11.484 1.00 14.43 O ATOM 948 CB SER A 59 6.343 2.685 10.833 1.00 13.33 C ATOM 949 OG SER A 59 6.607 1.306 10.633 1.00 44.23 O ATOM 0 H SER A 59 5.485 5.064 10.795 1.00 65.31 H new ATOM 0 HA SER A 59 5.379 2.816 8.926 1.00 33.55 H new ATOM 0 HB2 SER A 59 7.243 3.262 10.621 1.00 13.33 H new ATOM 0 HB3 SER A 59 6.091 2.859 11.879 1.00 13.33 H new ATOM 0 HG SER A 59 7.228 0.989 11.321 1.00 44.23 H new ATOM 955 N ILE A 60 3.227 1.763 9.631 1.00 4.51 N ATOM 956 CA ILE A 60 1.999 1.068 10.029 1.00 62.53 C ATOM 957 C ILE A 60 2.339 0.002 11.103 1.00 30.45 C ATOM 958 O ILE A 60 3.180 -0.868 10.840 1.00 33.02 O ATOM 959 CB ILE A 60 1.259 0.396 8.802 1.00 21.44 C ATOM 960 CG1 ILE A 60 0.694 1.487 7.831 1.00 33.14 C ATOM 961 CG2 ILE A 60 0.150 -0.562 9.287 1.00 10.20 C ATOM 962 CD1 ILE A 60 -0.400 1.014 6.885 1.00 14.24 C ATOM 0 H ILE A 60 3.565 1.508 8.703 1.00 4.51 H new ATOM 0 HA ILE A 60 1.314 1.809 10.441 1.00 62.53 H new ATOM 0 HB ILE A 60 1.984 -0.198 8.245 1.00 21.44 H new ATOM 0 HG12 ILE A 60 0.304 2.313 8.426 1.00 33.14 H new ATOM 0 HG13 ILE A 60 1.518 1.883 7.238 1.00 33.14 H new ATOM 0 HG21 ILE A 60 -0.344 -1.012 8.426 1.00 10.20 H new ATOM 0 HG22 ILE A 60 0.590 -1.346 9.903 1.00 10.20 H new ATOM 0 HG23 ILE A 60 -0.580 -0.006 9.875 1.00 10.20 H new ATOM 0 HD11 ILE A 60 -0.722 1.844 6.257 1.00 14.24 H new ATOM 0 HD12 ILE A 60 -0.015 0.211 6.256 1.00 14.24 H new ATOM 0 HD13 ILE A 60 -1.248 0.647 7.464 1.00 14.24 H new ATOM 974 N PRO A 61 1.704 0.076 12.331 1.00 32.30 N ATOM 975 CA PRO A 61 1.898 -0.932 13.398 1.00 2.53 C ATOM 976 C PRO A 61 1.356 -2.328 13.015 1.00 11.45 C ATOM 977 O PRO A 61 0.516 -2.458 12.115 1.00 1.04 O ATOM 978 CB PRO A 61 1.141 -0.328 14.614 1.00 32.44 C ATOM 979 CG PRO A 61 0.133 0.606 14.020 1.00 11.45 C ATOM 980 CD PRO A 61 0.783 1.169 12.777 1.00 60.03 C ATOM 0 HA PRO A 61 2.954 -1.113 13.601 1.00 2.53 H new ATOM 0 HB2 PRO A 61 0.658 -1.107 15.204 1.00 32.44 H new ATOM 0 HB3 PRO A 61 1.823 0.200 15.281 1.00 32.44 H new ATOM 0 HG2 PRO A 61 -0.791 0.082 13.776 1.00 11.45 H new ATOM 0 HG3 PRO A 61 -0.126 1.400 14.720 1.00 11.45 H new ATOM 0 HD2 PRO A 61 0.044 1.407 12.012 1.00 60.03 H new ATOM 0 HD3 PRO A 61 1.327 2.089 12.991 1.00 60.03 H new ATOM 988 N SER A 62 1.824 -3.352 13.743 1.00 33.14 N ATOM 989 CA SER A 62 1.570 -4.769 13.430 1.00 31.41 C ATOM 990 C SER A 62 0.089 -5.177 13.626 1.00 71.31 C ATOM 991 O SER A 62 -0.414 -6.072 12.926 1.00 42.14 O ATOM 992 CB SER A 62 2.509 -5.645 14.285 1.00 70.33 C ATOM 993 OG SER A 62 2.372 -5.368 15.673 1.00 44.32 O ATOM 0 H SER A 62 2.397 -3.220 14.576 1.00 33.14 H new ATOM 0 HA SER A 62 1.778 -4.924 12.371 1.00 31.41 H new ATOM 0 HB2 SER A 62 2.292 -6.697 14.101 1.00 70.33 H new ATOM 0 HB3 SER A 62 3.542 -5.475 13.981 1.00 70.33 H new ATOM 0 HG SER A 62 2.981 -5.943 16.183 1.00 44.32 H new ATOM 999 N THR A 63 -0.593 -4.524 14.585 1.00 3.21 N ATOM 1000 CA THR A 63 -2.030 -4.757 14.858 1.00 21.04 C ATOM 1001 C THR A 63 -2.912 -4.161 13.732 1.00 2.31 C ATOM 1002 O THR A 63 -4.046 -4.593 13.512 1.00 43.33 O ATOM 1003 CB THR A 63 -2.439 -4.177 16.260 1.00 72.42 C ATOM 1004 OG1 THR A 63 -3.767 -4.595 16.604 1.00 41.20 O ATOM 1005 CG2 THR A 63 -2.367 -2.641 16.318 1.00 14.20 C ATOM 0 H THR A 63 -0.169 -3.822 15.192 1.00 3.21 H new ATOM 0 HA THR A 63 -2.196 -5.834 14.880 1.00 21.04 H new ATOM 0 HB THR A 63 -1.718 -4.570 16.976 1.00 72.42 H new ATOM 0 HG1 THR A 63 -4.009 -4.228 17.480 1.00 41.20 H new ATOM 0 HG21 THR A 63 -2.661 -2.300 17.311 1.00 14.20 H new ATOM 0 HG22 THR A 63 -1.347 -2.316 16.110 1.00 14.20 H new ATOM 0 HG23 THR A 63 -3.042 -2.217 15.574 1.00 14.20 H new ATOM 1013 N HIS A 64 -2.344 -3.179 13.010 1.00 52.35 N ATOM 1014 CA HIS A 64 -3.007 -2.475 11.899 1.00 41.35 C ATOM 1015 C HIS A 64 -2.765 -3.213 10.565 1.00 3.10 C ATOM 1016 O HIS A 64 -3.329 -2.839 9.530 1.00 10.23 O ATOM 1017 CB HIS A 64 -2.464 -1.029 11.870 1.00 52.11 C ATOM 1018 CG HIS A 64 -3.179 -0.074 10.965 1.00 22.33 C ATOM 1019 ND1 HIS A 64 -2.893 0.045 9.628 1.00 52.12 N ATOM 1020 CD2 HIS A 64 -4.100 0.866 11.229 1.00 51.33 C ATOM 1021 CE1 HIS A 64 -3.598 1.009 9.115 1.00 34.11 C ATOM 1022 NE2 HIS A 64 -4.346 1.526 10.071 1.00 40.42 N ATOM 0 H HIS A 64 -1.396 -2.847 13.185 1.00 52.35 H new ATOM 0 HA HIS A 64 -4.087 -2.452 12.044 1.00 41.35 H new ATOM 0 HB2 HIS A 64 -2.496 -0.630 12.884 1.00 52.11 H new ATOM 0 HB3 HIS A 64 -1.416 -1.062 11.574 1.00 52.11 H new ATOM 0 HD2 HIS A 64 -4.560 1.060 12.187 1.00 51.33 H new ATOM 0 HE1 HIS A 64 -3.575 1.331 8.084 1.00 34.11 H new ATOM 0 HE2 HIS A 64 -5.003 2.298 9.957 1.00 40.42 H new ATOM 1031 N ILE A 65 -1.929 -4.270 10.591 1.00 11.54 N ATOM 1032 CA ILE A 65 -1.678 -5.100 9.405 1.00 54.21 C ATOM 1033 C ILE A 65 -2.819 -6.086 9.236 1.00 12.10 C ATOM 1034 O ILE A 65 -2.834 -7.140 9.874 1.00 0.15 O ATOM 1035 CB ILE A 65 -0.327 -5.888 9.478 1.00 42.23 C ATOM 1036 CG1 ILE A 65 0.843 -4.933 9.821 1.00 42.21 C ATOM 1037 CG2 ILE A 65 -0.056 -6.655 8.152 1.00 61.23 C ATOM 1038 CD1 ILE A 65 1.021 -3.801 8.837 1.00 41.13 C ATOM 0 H ILE A 65 -1.418 -4.566 11.423 1.00 11.54 H new ATOM 0 HA ILE A 65 -1.609 -4.425 8.552 1.00 54.21 H new ATOM 0 HB ILE A 65 -0.406 -6.626 10.276 1.00 42.23 H new ATOM 0 HG12 ILE A 65 0.678 -4.515 10.814 1.00 42.21 H new ATOM 0 HG13 ILE A 65 1.767 -5.509 9.867 1.00 42.21 H new ATOM 0 HG21 ILE A 65 0.888 -7.194 8.230 1.00 61.23 H new ATOM 0 HG22 ILE A 65 -0.864 -7.364 7.970 1.00 61.23 H new ATOM 0 HG23 ILE A 65 -0.002 -5.946 7.326 1.00 61.23 H new ATOM 0 HD11 ILE A 65 1.860 -3.178 9.147 1.00 41.13 H new ATOM 0 HD12 ILE A 65 1.219 -4.208 7.846 1.00 41.13 H new ATOM 0 HD13 ILE A 65 0.113 -3.199 8.807 1.00 41.13 H new ATOM 1050 N THR A 66 -3.785 -5.719 8.414 1.00 12.43 N ATOM 1051 CA THR A 66 -4.938 -6.556 8.127 1.00 1.12 C ATOM 1052 C THR A 66 -5.476 -6.236 6.726 1.00 63.33 C ATOM 1053 O THR A 66 -5.008 -5.288 6.072 1.00 24.51 O ATOM 1054 CB THR A 66 -6.051 -6.391 9.234 1.00 72.24 C ATOM 1055 OG1 THR A 66 -7.191 -7.231 8.946 1.00 21.34 O ATOM 1056 CG2 THR A 66 -6.489 -4.931 9.383 1.00 53.51 C ATOM 0 H THR A 66 -3.793 -4.825 7.923 1.00 12.43 H new ATOM 0 HA THR A 66 -4.629 -7.601 8.144 1.00 1.12 H new ATOM 0 HB THR A 66 -5.615 -6.707 10.182 1.00 72.24 H new ATOM 0 HG1 THR A 66 -7.868 -7.115 9.645 1.00 21.34 H new ATOM 0 HG21 THR A 66 -7.256 -4.858 10.154 1.00 53.51 H new ATOM 0 HG22 THR A 66 -5.631 -4.321 9.666 1.00 53.51 H new ATOM 0 HG23 THR A 66 -6.892 -4.574 8.435 1.00 53.51 H new ATOM 1064 N GLY A 67 -6.464 -7.028 6.298 1.00 3.23 N ATOM 1065 CA GLY A 67 -7.051 -6.924 4.978 1.00 12.44 C ATOM 1066 C GLY A 67 -7.583 -5.532 4.643 1.00 71.23 C ATOM 1067 O GLY A 67 -7.111 -4.900 3.702 1.00 64.52 O ATOM 0 H GLY A 67 -6.876 -7.764 6.872 1.00 3.23 H new ATOM 0 HA2 GLY A 67 -6.303 -7.204 4.236 1.00 12.44 H new ATOM 0 HA3 GLY A 67 -7.866 -7.643 4.896 1.00 12.44 H new ATOM 1071 N LYS A 68 -8.511 -5.037 5.468 1.00 72.55 N ATOM 1072 CA LYS A 68 -9.254 -3.782 5.207 1.00 54.15 C ATOM 1073 C LYS A 68 -8.361 -2.527 5.000 1.00 54.44 C ATOM 1074 O LYS A 68 -8.750 -1.603 4.276 1.00 40.23 O ATOM 1075 CB LYS A 68 -10.242 -3.537 6.359 1.00 43.44 C ATOM 1076 CG LYS A 68 -9.586 -3.359 7.752 1.00 22.01 C ATOM 1077 CD LYS A 68 -10.624 -3.047 8.851 1.00 62.33 C ATOM 1078 CE LYS A 68 -11.421 -1.754 8.576 1.00 33.10 C ATOM 1079 NZ LYS A 68 -12.504 -1.527 9.567 1.00 3.21 N ATOM 0 H LYS A 68 -8.775 -5.491 6.342 1.00 72.55 H new ATOM 0 HA LYS A 68 -9.773 -3.925 4.259 1.00 54.15 H new ATOM 0 HB2 LYS A 68 -10.828 -2.646 6.133 1.00 43.44 H new ATOM 0 HB3 LYS A 68 -10.939 -4.374 6.405 1.00 43.44 H new ATOM 0 HG2 LYS A 68 -9.043 -4.267 8.015 1.00 22.01 H new ATOM 0 HG3 LYS A 68 -8.854 -2.552 7.706 1.00 22.01 H new ATOM 0 HD2 LYS A 68 -11.317 -3.884 8.937 1.00 62.33 H new ATOM 0 HD3 LYS A 68 -10.114 -2.956 9.810 1.00 62.33 H new ATOM 0 HE2 LYS A 68 -10.740 -0.903 8.587 1.00 33.10 H new ATOM 0 HE3 LYS A 68 -11.853 -1.804 7.577 1.00 33.10 H new ATOM 0 HZ1 LYS A 68 -13.007 -0.647 9.336 1.00 3.21 H new ATOM 0 HZ2 LYS A 68 -13.171 -2.324 9.541 1.00 3.21 H new ATOM 0 HZ3 LYS A 68 -12.093 -1.451 10.519 1.00 3.21 H new ATOM 1093 N TYR A 69 -7.176 -2.508 5.629 1.00 32.41 N ATOM 1094 CA TYR A 69 -6.278 -1.331 5.618 1.00 14.22 C ATOM 1095 C TYR A 69 -5.266 -1.378 4.466 1.00 72.04 C ATOM 1096 O TYR A 69 -4.611 -0.379 4.180 1.00 75.13 O ATOM 1097 CB TYR A 69 -5.555 -1.202 6.972 1.00 41.52 C ATOM 1098 CG TYR A 69 -6.494 -0.904 8.163 1.00 0.52 C ATOM 1099 CD1 TYR A 69 -7.551 0.013 8.044 1.00 32.30 C ATOM 1100 CD2 TYR A 69 -6.328 -1.525 9.398 1.00 51.44 C ATOM 1101 CE1 TYR A 69 -8.386 0.286 9.100 1.00 1.34 C ATOM 1102 CE2 TYR A 69 -7.167 -1.255 10.461 1.00 4.15 C ATOM 1103 CZ TYR A 69 -8.196 -0.348 10.307 1.00 53.32 C ATOM 1104 OH TYR A 69 -9.045 -0.077 11.356 1.00 11.32 O ATOM 0 H TYR A 69 -6.810 -3.300 6.158 1.00 32.41 H new ATOM 0 HA TYR A 69 -6.899 -0.450 5.457 1.00 14.22 H new ATOM 0 HB2 TYR A 69 -5.014 -2.127 7.172 1.00 41.52 H new ATOM 0 HB3 TYR A 69 -4.812 -0.407 6.901 1.00 41.52 H new ATOM 0 HD1 TYR A 69 -7.711 0.515 7.101 1.00 32.30 H new ATOM 0 HD2 TYR A 69 -5.524 -2.235 9.528 1.00 51.44 H new ATOM 0 HE1 TYR A 69 -9.190 0.997 8.983 1.00 1.34 H new ATOM 0 HE2 TYR A 69 -7.019 -1.751 11.409 1.00 4.15 H new ATOM 0 HH TYR A 69 -8.779 -0.605 12.137 1.00 11.32 H new ATOM 1114 N PHE A 70 -5.124 -2.551 3.839 1.00 14.32 N ATOM 1115 CA PHE A 70 -4.255 -2.753 2.649 1.00 11.42 C ATOM 1116 C PHE A 70 -5.086 -3.114 1.397 1.00 51.00 C ATOM 1117 O PHE A 70 -4.545 -3.186 0.294 1.00 60.40 O ATOM 1118 CB PHE A 70 -3.178 -3.835 2.951 1.00 52.32 C ATOM 1119 CG PHE A 70 -1.993 -3.303 3.787 1.00 71.43 C ATOM 1120 CD1 PHE A 70 -2.080 -3.183 5.177 1.00 3.33 C ATOM 1121 CD2 PHE A 70 -0.791 -2.916 3.171 1.00 70.45 C ATOM 1122 CE1 PHE A 70 -1.017 -2.698 5.918 1.00 23.31 C ATOM 1123 CE2 PHE A 70 0.272 -2.432 3.916 1.00 72.51 C ATOM 1124 CZ PHE A 70 0.161 -2.326 5.290 1.00 53.31 C ATOM 0 H PHE A 70 -5.607 -3.399 4.136 1.00 14.32 H new ATOM 0 HA PHE A 70 -3.746 -1.814 2.431 1.00 11.42 H new ATOM 0 HB2 PHE A 70 -3.645 -4.664 3.483 1.00 52.32 H new ATOM 0 HB3 PHE A 70 -2.799 -4.233 2.010 1.00 52.32 H new ATOM 0 HD1 PHE A 70 -2.991 -3.473 5.680 1.00 3.33 H new ATOM 0 HD2 PHE A 70 -0.694 -2.997 2.098 1.00 70.45 H new ATOM 0 HE1 PHE A 70 -1.106 -2.609 6.991 1.00 23.31 H new ATOM 0 HE2 PHE A 70 1.187 -2.138 3.424 1.00 72.51 H new ATOM 0 HZ PHE A 70 0.991 -1.954 5.873 1.00 53.31 H new ATOM 1134 N LYS A 71 -6.406 -3.255 1.596 1.00 11.53 N ATOM 1135 CA LYS A 71 -7.373 -3.828 0.643 1.00 30.51 C ATOM 1136 C LYS A 71 -7.284 -3.235 -0.777 1.00 63.53 C ATOM 1137 O LYS A 71 -7.202 -3.960 -1.780 1.00 33.21 O ATOM 1138 CB LYS A 71 -8.805 -3.632 1.227 1.00 30.43 C ATOM 1139 CG LYS A 71 -9.794 -4.740 0.853 1.00 11.13 C ATOM 1140 CD LYS A 71 -11.183 -4.536 1.509 1.00 23.51 C ATOM 1141 CE LYS A 71 -11.897 -3.269 1.014 1.00 13.45 C ATOM 1142 NZ LYS A 71 -12.167 -3.337 -0.445 1.00 25.42 N ATOM 0 H LYS A 71 -6.850 -2.959 2.465 1.00 11.53 H new ATOM 0 HA LYS A 71 -7.133 -4.885 0.525 1.00 30.51 H new ATOM 0 HB2 LYS A 71 -8.737 -3.573 2.313 1.00 30.43 H new ATOM 0 HB3 LYS A 71 -9.199 -2.677 0.880 1.00 30.43 H new ATOM 0 HG2 LYS A 71 -9.908 -4.772 -0.231 1.00 11.13 H new ATOM 0 HG3 LYS A 71 -9.388 -5.704 1.159 1.00 11.13 H new ATOM 0 HD2 LYS A 71 -11.808 -5.404 1.301 1.00 23.51 H new ATOM 0 HD3 LYS A 71 -11.064 -4.481 2.591 1.00 23.51 H new ATOM 0 HE2 LYS A 71 -12.835 -3.143 1.554 1.00 13.45 H new ATOM 0 HE3 LYS A 71 -11.284 -2.395 1.232 1.00 13.45 H new ATOM 0 HZ1 LYS A 71 -13.037 -2.810 -0.662 1.00 25.42 H new ATOM 0 HZ2 LYS A 71 -11.370 -2.919 -0.965 1.00 25.42 H new ATOM 0 HZ3 LYS A 71 -12.284 -4.330 -0.730 1.00 25.42 H new ATOM 1156 N ASP A 72 -7.264 -1.908 -0.815 1.00 40.12 N ATOM 1157 CA ASP A 72 -7.255 -1.109 -2.048 1.00 41.14 C ATOM 1158 C ASP A 72 -6.176 -0.060 -1.920 1.00 42.45 C ATOM 1159 O ASP A 72 -5.607 0.133 -0.848 1.00 21.32 O ATOM 1160 CB ASP A 72 -8.616 -0.387 -2.289 1.00 64.32 C ATOM 1161 CG ASP A 72 -9.789 -1.260 -2.758 1.00 4.33 C ATOM 1162 OD1 ASP A 72 -10.082 -2.291 -2.124 1.00 42.32 O ATOM 1163 OD2 ASP A 72 -10.474 -0.867 -3.722 1.00 54.41 O ATOM 0 H ASP A 72 -7.253 -1.337 0.030 1.00 40.12 H new ATOM 0 HA ASP A 72 -7.075 -1.779 -2.888 1.00 41.14 H new ATOM 0 HB2 ASP A 72 -8.908 0.105 -1.361 1.00 64.32 H new ATOM 0 HB3 ASP A 72 -8.458 0.397 -3.030 1.00 64.32 H new ATOM 1168 N LEU A 73 -5.893 0.608 -3.029 1.00 3.53 N ATOM 1169 CA LEU A 73 -4.961 1.727 -3.039 1.00 34.43 C ATOM 1170 C LEU A 73 -5.633 2.966 -2.422 1.00 21.41 C ATOM 1171 O LEU A 73 -5.002 3.710 -1.662 1.00 61.55 O ATOM 1172 CB LEU A 73 -4.458 1.994 -4.469 1.00 14.43 C ATOM 1173 CG LEU A 73 -3.380 3.101 -4.584 1.00 5.15 C ATOM 1174 CD1 LEU A 73 -2.206 2.801 -3.623 1.00 63.31 C ATOM 1175 CD2 LEU A 73 -2.900 3.269 -6.048 1.00 11.54 C ATOM 0 H LEU A 73 -6.299 0.393 -3.940 1.00 3.53 H new ATOM 0 HA LEU A 73 -4.089 1.482 -2.433 1.00 34.43 H new ATOM 0 HB2 LEU A 73 -4.052 1.068 -4.875 1.00 14.43 H new ATOM 0 HB3 LEU A 73 -5.309 2.269 -5.093 1.00 14.43 H new ATOM 0 HG LEU A 73 -3.823 4.052 -4.288 1.00 5.15 H new ATOM 0 HD11 LEU A 73 -1.454 3.585 -3.712 1.00 63.31 H new ATOM 0 HD12 LEU A 73 -2.575 2.766 -2.598 1.00 63.31 H new ATOM 0 HD13 LEU A 73 -1.761 1.840 -3.881 1.00 63.31 H new ATOM 0 HD21 LEU A 73 -2.144 4.053 -6.095 1.00 11.54 H new ATOM 0 HD22 LEU A 73 -2.472 2.331 -6.401 1.00 11.54 H new ATOM 0 HD23 LEU A 73 -3.746 3.542 -6.679 1.00 11.54 H new ATOM 1187 N ASN A 74 -6.923 3.146 -2.743 1.00 21.30 N ATOM 1188 CA ASN A 74 -7.776 4.149 -2.084 1.00 41.13 C ATOM 1189 C ASN A 74 -7.949 3.829 -0.581 1.00 70.32 C ATOM 1190 O ASN A 74 -7.970 4.742 0.243 1.00 5.14 O ATOM 1191 CB ASN A 74 -9.156 4.249 -2.787 1.00 50.40 C ATOM 1192 CG ASN A 74 -9.874 2.909 -2.915 1.00 4.41 C ATOM 1193 OD1 ASN A 74 -9.722 2.256 -4.060 1.00 3.10 O flip ATOM 1194 ND2 ASN A 74 -10.574 2.475 -1.998 1.00 34.24 N flip ATOM 0 H ASN A 74 -7.403 2.605 -3.462 1.00 21.30 H new ATOM 0 HA ASN A 74 -7.281 5.116 -2.168 1.00 41.13 H new ATOM 0 HB2 ASN A 74 -9.789 4.939 -2.230 1.00 50.40 H new ATOM 0 HB3 ASN A 74 -9.018 4.674 -3.781 1.00 50.40 H new ATOM 0 HD21 ASN A 74 -10.667 3.006 -1.132 1.00 34.24 H new ATOM 0 HD22 ASN A 74 -11.061 1.585 -2.105 1.00 34.24 H new ATOM 1201 N ALA A 75 -8.052 2.527 -0.241 1.00 1.03 N ATOM 1202 CA ALA A 75 -8.191 2.078 1.163 1.00 42.31 C ATOM 1203 C ALA A 75 -6.965 2.486 2.004 1.00 63.21 C ATOM 1204 O ALA A 75 -7.113 3.065 3.083 1.00 43.30 O ATOM 1205 CB ALA A 75 -8.429 0.565 1.236 1.00 0.41 C ATOM 0 H ALA A 75 -8.042 1.766 -0.920 1.00 1.03 H new ATOM 0 HA ALA A 75 -9.064 2.576 1.585 1.00 42.31 H new ATOM 0 HB1 ALA A 75 -8.527 0.262 2.278 1.00 0.41 H new ATOM 0 HB2 ALA A 75 -9.343 0.314 0.697 1.00 0.41 H new ATOM 0 HB3 ALA A 75 -7.586 0.042 0.784 1.00 0.41 H new ATOM 1211 N ILE A 76 -5.762 2.201 1.475 1.00 32.01 N ATOM 1212 CA ILE A 76 -4.481 2.565 2.122 1.00 43.02 C ATOM 1213 C ILE A 76 -4.353 4.073 2.237 1.00 31.45 C ATOM 1214 O ILE A 76 -3.992 4.567 3.294 1.00 40.55 O ATOM 1215 CB ILE A 76 -3.237 1.991 1.339 1.00 73.33 C ATOM 1216 CG1 ILE A 76 -3.264 0.441 1.343 1.00 35.23 C ATOM 1217 CG2 ILE A 76 -1.886 2.521 1.906 1.00 71.21 C ATOM 1218 CD1 ILE A 76 -2.167 -0.233 0.546 1.00 20.33 C ATOM 0 H ILE A 76 -5.646 1.712 0.587 1.00 32.01 H new ATOM 0 HA ILE A 76 -4.490 2.120 3.117 1.00 43.02 H new ATOM 0 HB ILE A 76 -3.310 2.344 0.310 1.00 73.33 H new ATOM 0 HG12 ILE A 76 -3.203 0.097 2.375 1.00 35.23 H new ATOM 0 HG13 ILE A 76 -4.227 0.111 0.954 1.00 35.23 H new ATOM 0 HG21 ILE A 76 -1.060 2.098 1.334 1.00 71.21 H new ATOM 0 HG22 ILE A 76 -1.861 3.608 1.829 1.00 71.21 H new ATOM 0 HG23 ILE A 76 -1.791 2.229 2.952 1.00 71.21 H new ATOM 0 HD11 ILE A 76 -2.279 -1.315 0.616 1.00 20.33 H new ATOM 0 HD12 ILE A 76 -2.236 0.072 -0.498 1.00 20.33 H new ATOM 0 HD13 ILE A 76 -1.196 0.058 0.946 1.00 20.33 H new ATOM 1230 N SER A 77 -4.697 4.784 1.146 1.00 10.20 N ATOM 1231 CA SER A 77 -4.584 6.247 1.073 1.00 21.13 C ATOM 1232 C SER A 77 -5.353 6.903 2.222 1.00 50.42 C ATOM 1233 O SER A 77 -4.769 7.603 3.046 1.00 63.23 O ATOM 1234 CB SER A 77 -5.118 6.756 -0.283 1.00 50.05 C ATOM 1235 OG SER A 77 -4.913 8.158 -0.447 1.00 0.24 O ATOM 0 H SER A 77 -5.060 4.358 0.293 1.00 10.20 H new ATOM 0 HA SER A 77 -3.532 6.517 1.162 1.00 21.13 H new ATOM 0 HB2 SER A 77 -4.622 6.220 -1.092 1.00 50.05 H new ATOM 0 HB3 SER A 77 -6.182 6.534 -0.360 1.00 50.05 H new ATOM 0 HG SER A 77 -5.776 8.621 -0.408 1.00 0.24 H new ATOM 1241 N ARG A 78 -6.646 6.597 2.295 1.00 72.34 N ATOM 1242 CA ARG A 78 -7.553 7.188 3.280 1.00 54.33 C ATOM 1243 C ARG A 78 -7.087 6.898 4.702 1.00 31.52 C ATOM 1244 O ARG A 78 -7.066 7.800 5.543 1.00 10.32 O ATOM 1245 CB ARG A 78 -8.995 6.679 3.051 1.00 73.31 C ATOM 1246 CG ARG A 78 -9.605 7.117 1.695 1.00 53.22 C ATOM 1247 CD ARG A 78 -9.473 8.634 1.449 1.00 12.34 C ATOM 1248 NE ARG A 78 -10.094 9.421 2.535 1.00 24.21 N ATOM 1249 CZ ARG A 78 -9.517 10.431 3.199 1.00 24.44 C ATOM 1250 NH1 ARG A 78 -8.290 10.805 2.912 1.00 14.32 N ATOM 1251 NH2 ARG A 78 -10.176 11.049 4.164 1.00 32.01 N ATOM 0 H ARG A 78 -7.098 5.929 1.670 1.00 72.34 H new ATOM 0 HA ARG A 78 -7.545 8.270 3.149 1.00 54.33 H new ATOM 0 HB2 ARG A 78 -8.999 5.590 3.106 1.00 73.31 H new ATOM 0 HB3 ARG A 78 -9.631 7.041 3.859 1.00 73.31 H new ATOM 0 HG2 ARG A 78 -9.111 6.577 0.887 1.00 53.22 H new ATOM 0 HG3 ARG A 78 -10.658 6.838 1.667 1.00 53.22 H new ATOM 0 HD2 ARG A 78 -8.419 8.898 1.365 1.00 12.34 H new ATOM 0 HD3 ARG A 78 -9.943 8.891 0.499 1.00 12.34 H new ATOM 0 HE ARG A 78 -11.047 9.173 2.803 1.00 24.21 H new ATOM 0 HH11 ARG A 78 -7.769 10.325 2.178 1.00 14.32 H new ATOM 0 HH12 ARG A 78 -7.859 11.575 3.423 1.00 14.32 H new ATOM 0 HH21 ARG A 78 -11.124 10.757 4.403 1.00 32.01 H new ATOM 0 HH22 ARG A 78 -9.737 11.818 4.670 1.00 32.01 H new ATOM 1265 N THR A 79 -6.636 5.657 4.915 1.00 53.25 N ATOM 1266 CA THR A 79 -6.215 5.169 6.230 1.00 21.10 C ATOM 1267 C THR A 79 -4.858 5.760 6.670 1.00 2.02 C ATOM 1268 O THR A 79 -4.681 6.099 7.846 1.00 33.32 O ATOM 1269 CB THR A 79 -6.167 3.613 6.244 1.00 44.53 C ATOM 1270 OG1 THR A 79 -7.459 3.092 5.894 1.00 54.51 O ATOM 1271 CG2 THR A 79 -5.771 3.061 7.614 1.00 63.43 C ATOM 0 H THR A 79 -6.553 4.960 4.175 1.00 53.25 H new ATOM 0 HA THR A 79 -6.958 5.508 6.952 1.00 21.10 H new ATOM 0 HB THR A 79 -5.412 3.303 5.521 1.00 44.53 H new ATOM 0 HG1 THR A 79 -7.521 2.997 4.921 1.00 54.51 H new ATOM 0 HG21 THR A 79 -5.751 1.972 7.575 1.00 63.43 H new ATOM 0 HG22 THR A 79 -4.783 3.433 7.884 1.00 63.43 H new ATOM 0 HG23 THR A 79 -6.497 3.384 8.360 1.00 63.43 H new ATOM 1279 N VAL A 80 -3.925 5.915 5.717 1.00 32.24 N ATOM 1280 CA VAL A 80 -2.547 6.371 6.011 1.00 44.31 C ATOM 1281 C VAL A 80 -2.544 7.878 6.333 1.00 34.42 C ATOM 1282 O VAL A 80 -1.710 8.363 7.103 1.00 12.32 O ATOM 1283 CB VAL A 80 -1.536 6.044 4.836 1.00 42.51 C ATOM 1284 CG1 VAL A 80 -1.772 6.888 3.562 1.00 34.13 C ATOM 1285 CG2 VAL A 80 -0.091 6.195 5.313 1.00 54.31 C ATOM 0 H VAL A 80 -4.097 5.731 4.729 1.00 32.24 H new ATOM 0 HA VAL A 80 -2.200 5.818 6.884 1.00 44.31 H new ATOM 0 HB VAL A 80 -1.724 5.007 4.556 1.00 42.51 H new ATOM 0 HG11 VAL A 80 -1.043 6.610 2.801 1.00 34.13 H new ATOM 0 HG12 VAL A 80 -2.778 6.704 3.185 1.00 34.13 H new ATOM 0 HG13 VAL A 80 -1.661 7.946 3.801 1.00 34.13 H new ATOM 0 HG21 VAL A 80 0.589 5.966 4.492 1.00 54.31 H new ATOM 0 HG22 VAL A 80 0.076 7.219 5.648 1.00 54.31 H new ATOM 0 HG23 VAL A 80 0.093 5.508 6.139 1.00 54.31 H new ATOM 1295 N GLU A 81 -3.516 8.591 5.739 1.00 43.22 N ATOM 1296 CA GLU A 81 -3.770 10.008 6.014 1.00 53.44 C ATOM 1297 C GLU A 81 -4.299 10.185 7.453 1.00 72.33 C ATOM 1298 O GLU A 81 -3.971 11.172 8.122 1.00 15.21 O ATOM 1299 CB GLU A 81 -4.751 10.569 4.954 1.00 5.21 C ATOM 1300 CG GLU A 81 -4.168 10.586 3.529 1.00 23.12 C ATOM 1301 CD GLU A 81 -5.176 11.030 2.457 1.00 61.44 C ATOM 1302 OE1 GLU A 81 -5.371 12.247 2.272 1.00 42.05 O ATOM 1303 OE2 GLU A 81 -5.793 10.160 1.799 1.00 4.22 O ATOM 0 H GLU A 81 -4.152 8.192 5.048 1.00 43.22 H new ATOM 0 HA GLU A 81 -2.842 10.575 5.944 1.00 53.44 H new ATOM 0 HB2 GLU A 81 -5.661 9.969 4.959 1.00 5.21 H new ATOM 0 HB3 GLU A 81 -5.036 11.583 5.234 1.00 5.21 H new ATOM 0 HG2 GLU A 81 -3.307 11.254 3.506 1.00 23.12 H new ATOM 0 HG3 GLU A 81 -3.804 9.589 3.282 1.00 23.12 H new ATOM 1310 N GLN A 82 -5.082 9.197 7.929 1.00 25.52 N ATOM 1311 CA GLN A 82 -5.572 9.181 9.330 1.00 34.22 C ATOM 1312 C GLN A 82 -4.391 8.984 10.288 1.00 21.51 C ATOM 1313 O GLN A 82 -4.283 9.679 11.281 1.00 35.44 O ATOM 1314 CB GLN A 82 -6.625 8.065 9.579 1.00 14.40 C ATOM 1315 CG GLN A 82 -7.787 8.012 8.574 1.00 24.43 C ATOM 1316 CD GLN A 82 -8.520 9.349 8.375 1.00 31.15 C ATOM 1317 OE1 GLN A 82 -9.471 9.666 9.090 1.00 72.20 O ATOM 1318 NE2 GLN A 82 -8.095 10.121 7.377 1.00 12.41 N ATOM 0 H GLN A 82 -5.390 8.401 7.370 1.00 25.52 H new ATOM 0 HA GLN A 82 -6.057 10.140 9.512 1.00 34.22 H new ATOM 0 HB2 GLN A 82 -6.116 7.101 9.570 1.00 14.40 H new ATOM 0 HB3 GLN A 82 -7.039 8.197 10.579 1.00 14.40 H new ATOM 0 HG2 GLN A 82 -7.403 7.676 7.611 1.00 24.43 H new ATOM 0 HG3 GLN A 82 -8.506 7.264 8.909 1.00 24.43 H new ATOM 0 HE21 GLN A 82 -7.304 9.826 6.805 1.00 12.41 H new ATOM 0 HE22 GLN A 82 -8.561 11.008 7.184 1.00 12.41 H new ATOM 1327 N LEU A 83 -3.498 8.045 9.937 1.00 63.54 N ATOM 1328 CA LEU A 83 -2.312 7.696 10.753 1.00 74.34 C ATOM 1329 C LEU A 83 -1.392 8.903 10.976 1.00 23.45 C ATOM 1330 O LEU A 83 -0.894 9.103 12.085 1.00 0.45 O ATOM 1331 CB LEU A 83 -1.538 6.531 10.089 1.00 53.21 C ATOM 1332 CG LEU A 83 -2.329 5.197 9.921 1.00 71.10 C ATOM 1333 CD1 LEU A 83 -1.503 4.174 9.126 1.00 13.44 C ATOM 1334 CD2 LEU A 83 -2.754 4.612 11.289 1.00 25.25 C ATOM 0 H LEU A 83 -3.574 7.502 9.077 1.00 63.54 H new ATOM 0 HA LEU A 83 -2.664 7.378 11.735 1.00 74.34 H new ATOM 0 HB2 LEU A 83 -1.201 6.858 9.105 1.00 53.21 H new ATOM 0 HB3 LEU A 83 -0.645 6.330 10.681 1.00 53.21 H new ATOM 0 HG LEU A 83 -3.237 5.420 9.361 1.00 71.10 H new ATOM 0 HD11 LEU A 83 -2.072 3.251 9.020 1.00 13.44 H new ATOM 0 HD12 LEU A 83 -1.278 4.577 8.139 1.00 13.44 H new ATOM 0 HD13 LEU A 83 -0.572 3.968 9.655 1.00 13.44 H new ATOM 0 HD21 LEU A 83 -3.303 3.683 11.133 1.00 25.25 H new ATOM 0 HD22 LEU A 83 -1.867 4.413 11.891 1.00 25.25 H new ATOM 0 HD23 LEU A 83 -3.392 5.327 11.808 1.00 25.25 H new ATOM 1346 N LYS A 84 -1.194 9.710 9.919 1.00 32.54 N ATOM 1347 CA LYS A 84 -0.416 10.963 10.013 1.00 13.01 C ATOM 1348 C LYS A 84 -1.146 11.989 10.907 1.00 22.15 C ATOM 1349 O LYS A 84 -0.515 12.701 11.693 1.00 60.33 O ATOM 1350 CB LYS A 84 -0.164 11.559 8.599 1.00 65.41 C ATOM 1351 CG LYS A 84 0.680 10.669 7.656 1.00 22.53 C ATOM 1352 CD LYS A 84 0.850 11.299 6.251 1.00 72.11 C ATOM 1353 CE LYS A 84 -0.492 11.511 5.526 1.00 72.31 C ATOM 1354 NZ LYS A 84 -0.359 12.301 4.270 1.00 11.42 N ATOM 0 H LYS A 84 -1.562 9.518 8.987 1.00 32.54 H new ATOM 0 HA LYS A 84 0.548 10.733 10.467 1.00 13.01 H new ATOM 0 HB2 LYS A 84 -1.127 11.753 8.126 1.00 65.41 H new ATOM 0 HB3 LYS A 84 0.336 12.521 8.710 1.00 65.41 H new ATOM 0 HG2 LYS A 84 1.662 10.503 8.099 1.00 22.53 H new ATOM 0 HG3 LYS A 84 0.205 9.693 7.559 1.00 22.53 H new ATOM 0 HD2 LYS A 84 1.361 12.257 6.347 1.00 72.11 H new ATOM 0 HD3 LYS A 84 1.488 10.656 5.644 1.00 72.11 H new ATOM 0 HE2 LYS A 84 -0.930 10.540 5.293 1.00 72.31 H new ATOM 0 HE3 LYS A 84 -1.184 12.020 6.197 1.00 72.31 H new ATOM 0 HZ1 LYS A 84 -1.294 12.410 3.828 1.00 11.42 H new ATOM 0 HZ2 LYS A 84 0.032 13.239 4.490 1.00 11.42 H new ATOM 0 HZ3 LYS A 84 0.278 11.806 3.614 1.00 11.42 H new ATOM 1368 N ALA A 85 -2.482 12.020 10.786 1.00 64.42 N ATOM 1369 CA ALA A 85 -3.350 12.947 11.533 1.00 51.34 C ATOM 1370 C ALA A 85 -3.382 12.626 13.041 1.00 42.32 C ATOM 1371 O ALA A 85 -3.518 13.523 13.879 1.00 65.20 O ATOM 1372 CB ALA A 85 -4.769 12.909 10.945 1.00 1.32 C ATOM 0 H ALA A 85 -2.996 11.398 10.162 1.00 64.42 H new ATOM 0 HA ALA A 85 -2.937 13.950 11.430 1.00 51.34 H new ATOM 0 HB1 ALA A 85 -5.411 13.595 11.498 1.00 1.32 H new ATOM 0 HB2 ALA A 85 -4.737 13.207 9.897 1.00 1.32 H new ATOM 0 HB3 ALA A 85 -5.168 11.897 11.022 1.00 1.32 H new ATOM 1378 N GLU A 86 -3.270 11.337 13.367 1.00 41.02 N ATOM 1379 CA GLU A 86 -3.332 10.848 14.754 1.00 61.32 C ATOM 1380 C GLU A 86 -1.954 10.914 15.429 1.00 44.14 C ATOM 1381 O GLU A 86 -1.867 11.232 16.619 1.00 45.22 O ATOM 1382 CB GLU A 86 -3.912 9.411 14.770 1.00 2.41 C ATOM 1383 CG GLU A 86 -5.347 9.299 14.186 1.00 73.51 C ATOM 1384 CD GLU A 86 -6.454 9.968 15.034 1.00 55.22 C ATOM 1385 OE1 GLU A 86 -6.511 11.214 15.095 1.00 45.31 O ATOM 1386 OE2 GLU A 86 -7.270 9.242 15.653 1.00 72.12 O ATOM 0 H GLU A 86 -3.133 10.597 12.678 1.00 41.02 H new ATOM 0 HA GLU A 86 -3.994 11.494 15.331 1.00 61.32 H new ATOM 0 HB2 GLU A 86 -3.249 8.757 14.204 1.00 2.41 H new ATOM 0 HB3 GLU A 86 -3.920 9.045 15.797 1.00 2.41 H new ATOM 0 HG2 GLU A 86 -5.354 9.745 13.191 1.00 73.51 H new ATOM 0 HG3 GLU A 86 -5.592 8.244 14.064 1.00 73.51 H new ATOM 1393 N SER A 87 -0.889 10.607 14.660 1.00 1.41 N ATOM 1394 CA SER A 87 0.500 10.697 15.156 1.00 44.41 C ATOM 1395 C SER A 87 0.888 12.161 15.455 1.00 43.54 C ATOM 1396 O SER A 87 1.344 12.467 16.557 1.00 11.40 O ATOM 1397 CB SER A 87 1.489 10.062 14.151 1.00 4.23 C ATOM 1398 OG SER A 87 1.260 8.665 14.029 1.00 14.34 O ATOM 0 H SER A 87 -0.965 10.294 13.692 1.00 1.41 H new ATOM 0 HA SER A 87 0.558 10.136 16.088 1.00 44.41 H new ATOM 0 HB2 SER A 87 1.380 10.539 13.177 1.00 4.23 H new ATOM 0 HB3 SER A 87 2.513 10.239 14.480 1.00 4.23 H new ATOM 0 HG SER A 87 0.521 8.508 13.404 1.00 14.34 H new ATOM 1404 N ALA A 88 0.696 13.051 14.471 1.00 43.42 N ATOM 1405 CA ALA A 88 1.040 14.481 14.607 1.00 21.25 C ATOM 1406 C ALA A 88 -0.052 15.236 15.391 1.00 22.24 C ATOM 1407 O ALA A 88 -1.237 15.054 15.115 1.00 33.43 O ATOM 1408 CB ALA A 88 1.251 15.107 13.226 1.00 35.55 C ATOM 0 H ALA A 88 0.301 12.806 13.563 1.00 43.42 H new ATOM 0 HA ALA A 88 1.970 14.562 15.169 1.00 21.25 H new ATOM 0 HB1 ALA A 88 1.504 16.161 13.339 1.00 35.55 H new ATOM 0 HB2 ALA A 88 2.063 14.592 12.713 1.00 35.55 H new ATOM 0 HB3 ALA A 88 0.336 15.014 12.641 1.00 35.55 H new ATOM 1414 N LEU A 89 0.374 16.072 16.359 1.00 25.33 N ATOM 1415 CA LEU A 89 -0.532 16.894 17.218 1.00 72.44 C ATOM 1416 C LEU A 89 -1.155 18.120 16.460 1.00 13.25 C ATOM 1417 O LEU A 89 -1.005 19.292 16.847 1.00 74.05 O ATOM 1418 CB LEU A 89 0.194 17.271 18.584 1.00 25.03 C ATOM 1419 CG LEU A 89 1.497 18.224 18.636 1.00 61.14 C ATOM 1420 CD1 LEU A 89 2.412 18.118 17.390 1.00 22.11 C ATOM 1421 CD2 LEU A 89 1.144 19.712 18.934 1.00 22.23 C ATOM 0 H LEU A 89 1.362 16.204 16.576 1.00 25.33 H new ATOM 0 HA LEU A 89 -1.398 16.285 17.478 1.00 72.44 H new ATOM 0 HB2 LEU A 89 -0.559 17.736 19.220 1.00 25.03 H new ATOM 0 HB3 LEU A 89 0.475 16.331 19.058 1.00 25.03 H new ATOM 0 HG LEU A 89 2.074 17.838 19.476 1.00 61.14 H new ATOM 0 HD11 LEU A 89 3.263 18.789 17.505 1.00 22.11 H new ATOM 0 HD12 LEU A 89 2.770 17.093 17.287 1.00 22.11 H new ATOM 0 HD13 LEU A 89 1.848 18.396 16.500 1.00 22.11 H new ATOM 0 HD21 LEU A 89 2.058 20.305 18.957 1.00 22.23 H new ATOM 0 HD22 LEU A 89 0.484 20.093 18.154 1.00 22.23 H new ATOM 0 HD23 LEU A 89 0.643 19.781 19.899 1.00 22.23 H new ATOM 1433 N GLU A 90 -1.916 17.824 15.401 1.00 4.14 N ATOM 1434 CA GLU A 90 -2.526 18.858 14.538 1.00 70.13 C ATOM 1435 C GLU A 90 -3.916 19.304 15.098 1.00 43.30 C ATOM 1436 O GLU A 90 -4.046 20.460 15.564 1.00 31.21 O ATOM 1437 CB GLU A 90 -2.616 18.365 13.058 1.00 61.43 C ATOM 1438 CG GLU A 90 -3.206 16.950 12.854 1.00 73.32 C ATOM 1439 CD GLU A 90 -3.345 16.570 11.365 1.00 20.35 C ATOM 1440 OE1 GLU A 90 -2.325 16.203 10.747 1.00 2.41 O ATOM 1441 OE2 GLU A 90 -4.467 16.654 10.810 1.00 75.22 O ATOM 1442 OXT GLU A 90 -4.863 18.492 15.114 1.00 37.36 O ATOM 0 H GLU A 90 -2.129 16.869 15.114 1.00 4.14 H new ATOM 0 HA GLU A 90 -1.882 19.738 14.544 1.00 70.13 H new ATOM 0 HB2 GLU A 90 -3.221 19.075 12.495 1.00 61.43 H new ATOM 0 HB3 GLU A 90 -1.615 18.386 12.626 1.00 61.43 H new ATOM 0 HG2 GLU A 90 -2.568 16.220 13.353 1.00 73.32 H new ATOM 0 HG3 GLU A 90 -4.185 16.897 13.331 1.00 73.32 H new TER 1449 GLU A 90 HETATM 1450 P24 4EM A 101 1.819 -13.233 7.582 1.00 52.13 P HETATM 1451 O25 4EM A 101 0.675 -14.126 7.898 1.00 34.00 O HETATM 1452 O26 4EM A 101 3.159 -13.779 7.910 1.00 14.23 O HETATM 1453 O27 4EM A 101 1.676 -11.788 8.283 1.00 61.10 O HETATM 1454 C28 4EM A 101 0.584 -10.886 8.012 1.00 43.32 C HETATM 1455 C29 4EM A 101 -0.475 -10.903 9.124 1.00 12.42 C HETATM 1456 C30 4EM A 101 -1.110 -12.295 9.224 1.00 64.34 C HETATM 1457 C31 4EM A 101 -1.573 -9.892 8.764 1.00 51.52 C HETATM 1458 C32 4EM A 101 0.189 -10.503 10.449 1.00 35.20 C HETATM 1459 O33 4EM A 101 0.738 -9.174 10.350 1.00 61.32 O HETATM 1460 C34 4EM A 101 -0.799 -10.520 11.641 1.00 45.24 C HETATM 1461 O35 4EM A 101 -0.850 -11.478 12.406 1.00 24.20 O HETATM 1462 N36 4EM A 101 -1.564 -9.430 11.772 1.00 25.30 N HETATM 1463 C37 4EM A 101 -2.557 -9.207 12.830 1.00 3.11 C HETATM 1464 C38 4EM A 101 -3.924 -8.724 12.316 1.00 5.43 C HETATM 1465 C39 4EM A 101 -4.766 -9.686 11.445 1.00 23.43 C HETATM 1466 O40 4EM A 101 -5.328 -10.649 11.984 1.00 1.42 O HETATM 1467 N41 4EM A 101 -4.864 -9.463 10.111 1.00 32.24 N HETATM 1468 C42 4EM A 101 -5.700 -10.304 9.193 1.00 51.51 C HETATM 1469 C43 4EM A 101 -5.107 -11.594 8.602 1.00 22.43 C HETATM 1470 N44 4EM A 101 -4.108 -11.432 7.726 1.00 54.05 N HETATM 1471 C45 4EM A 101 -4.199 -10.723 6.590 1.00 0.31 C HETATM 1472 O46 4EM A 101 -5.196 -10.114 6.213 1.00 52.31 O HETATM 1473 C47 4EM A 101 -3.073 -10.722 5.880 1.00 2.33 C HETATM 1474 C49 4EM A 101 -2.718 -9.821 4.975 1.00 74.21 C HETATM 1475 C51 4EM A 101 -1.523 -10.182 4.520 1.00 44.21 C HETATM 1476 C50 4EM A 101 -1.157 -11.301 5.147 1.00 72.03 C HETATM 1477 N48 4EM A 101 -2.128 -11.647 5.989 1.00 12.21 N