USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 24 GLN : amide:sc=-0.00926 X(o=0.8,f=0.91) USER MOD Set 1.2: A 56 LYS NZ :NH3+ -166:sc= 0.807 (180deg=0.634) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0687 (180deg=-0.392) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.176 (180deg=-0.221) USER MOD Single : A 5 LYS NZ :NH3+ -129:sc= 1.07 (180deg=-0.231) USER MOD Single : A 9 SER OG : rot 91:sc= 0.264 USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.141 (180deg=-0.576) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.0109 (180deg=-0.123) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 1:sc= 1.03 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= 0.795 (180deg=0.132) USER MOD Single : A 42 GLN : amide:sc=-0.00688 X(o=-0.0069,f=-0.1) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 0.248 (180deg=-0.088) USER MOD Single : A 49 LYS NZ :NH3+ -165:sc= 0.487 (180deg=0.363) USER MOD Single : A 50 MET CE :methyl -145:sc= 0 (180deg=-0.323) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -121:sc= 0.411 (180deg=-0.378) USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= 0.512 (180deg=0.206) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -117:sc= 0.164 (180deg=-1.08!) USER MOD Single : A 66 THR OG1 : rot 117:sc= 0.00291 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=-0.07) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 77 HIS : no HD1:sc= -0.0334 X(o=-0.033,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.334 12.518 -5.111 1.00 20.22 N ATOM 2 CA MET A 1 -1.038 12.404 -6.554 1.00 40.03 C ATOM 3 C MET A 1 0.171 11.487 -6.805 1.00 15.12 C ATOM 4 O MET A 1 0.618 11.349 -7.949 1.00 30.43 O ATOM 5 CB MET A 1 -0.853 13.817 -7.183 1.00 41.10 C ATOM 6 CG MET A 1 0.296 14.650 -6.600 1.00 24.25 C ATOM 7 SD MET A 1 0.313 16.356 -7.202 1.00 35.20 S ATOM 8 CE MET A 1 -1.187 17.038 -6.486 1.00 11.30 C ATOM 0 H1 MET A 1 -2.026 13.279 -4.958 1.00 20.22 H new ATOM 0 H2 MET A 1 -1.726 11.619 -4.765 1.00 20.22 H new ATOM 0 H3 MET A 1 -0.459 12.736 -4.593 1.00 20.22 H new ATOM 0 HA MET A 1 -1.889 11.935 -7.049 1.00 40.03 H new ATOM 0 HB2 MET A 1 -0.688 13.701 -8.254 1.00 41.10 H new ATOM 0 HB3 MET A 1 -1.782 14.375 -7.062 1.00 41.10 H new ATOM 0 HG2 MET A 1 0.217 14.656 -5.513 1.00 24.25 H new ATOM 0 HG3 MET A 1 1.244 14.174 -6.849 1.00 24.25 H new ATOM 0 HE1 MET A 1 -1.136 18.127 -6.504 1.00 11.30 H new ATOM 0 HE2 MET A 1 -2.050 16.706 -7.063 1.00 11.30 H new ATOM 0 HE3 MET A 1 -1.286 16.696 -5.456 1.00 11.30 H new ATOM 20 N VAL A 2 0.689 10.843 -5.732 1.00 1.13 N ATOM 21 CA VAL A 2 1.798 9.870 -5.843 1.00 11.55 C ATOM 22 C VAL A 2 1.226 8.501 -6.236 1.00 13.10 C ATOM 23 O VAL A 2 0.149 8.136 -5.773 1.00 34.54 O ATOM 24 CB VAL A 2 2.600 9.705 -4.488 1.00 73.44 C ATOM 25 CG1 VAL A 2 3.904 8.882 -4.686 1.00 62.42 C ATOM 26 CG2 VAL A 2 2.905 11.068 -3.843 1.00 72.02 C ATOM 0 H VAL A 2 0.354 10.982 -4.778 1.00 1.13 H new ATOM 0 HA VAL A 2 2.487 10.249 -6.598 1.00 11.55 H new ATOM 0 HB VAL A 2 1.958 9.148 -3.806 1.00 73.44 H new ATOM 0 HG11 VAL A 2 4.425 8.791 -3.733 1.00 62.42 H new ATOM 0 HG12 VAL A 2 3.654 7.889 -5.059 1.00 62.42 H new ATOM 0 HG13 VAL A 2 4.548 9.388 -5.405 1.00 62.42 H new ATOM 0 HG21 VAL A 2 3.456 10.916 -2.915 1.00 72.02 H new ATOM 0 HG22 VAL A 2 3.505 11.668 -4.527 1.00 72.02 H new ATOM 0 HG23 VAL A 2 1.970 11.587 -3.629 1.00 72.02 H new ATOM 36 N ASP A 3 1.942 7.756 -7.086 1.00 43.43 N ATOM 37 CA ASP A 3 1.583 6.357 -7.399 1.00 32.35 C ATOM 38 C ASP A 3 2.582 5.427 -6.708 1.00 71.32 C ATOM 39 O ASP A 3 3.760 5.400 -7.068 1.00 1.33 O ATOM 40 CB ASP A 3 1.561 6.088 -8.926 1.00 63.41 C ATOM 41 CG ASP A 3 1.267 4.606 -9.297 1.00 32.21 C ATOM 42 OD1 ASP A 3 0.084 4.190 -9.225 1.00 63.31 O ATOM 43 OD2 ASP A 3 2.210 3.863 -9.677 1.00 34.15 O ATOM 0 H ASP A 3 2.773 8.093 -7.572 1.00 43.43 H new ATOM 0 HA ASP A 3 0.574 6.168 -7.032 1.00 32.35 H new ATOM 0 HB2 ASP A 3 0.806 6.725 -9.387 1.00 63.41 H new ATOM 0 HB3 ASP A 3 2.523 6.375 -9.350 1.00 63.41 H new ATOM 48 N LEU A 4 2.104 4.712 -5.689 1.00 63.21 N ATOM 49 CA LEU A 4 2.876 3.678 -4.998 1.00 3.02 C ATOM 50 C LEU A 4 2.364 2.340 -5.527 1.00 21.31 C ATOM 51 O LEU A 4 1.223 1.972 -5.268 1.00 2.31 O ATOM 52 CB LEU A 4 2.687 3.781 -3.455 1.00 32.52 C ATOM 53 CG LEU A 4 3.049 5.162 -2.816 1.00 14.11 C ATOM 54 CD1 LEU A 4 2.755 5.191 -1.302 1.00 74.12 C ATOM 55 CD2 LEU A 4 4.511 5.538 -3.098 1.00 64.13 C ATOM 0 H LEU A 4 1.162 4.835 -5.317 1.00 63.21 H new ATOM 0 HA LEU A 4 3.944 3.790 -5.185 1.00 3.02 H new ATOM 0 HB2 LEU A 4 1.647 3.554 -3.219 1.00 32.52 H new ATOM 0 HB3 LEU A 4 3.296 3.012 -2.981 1.00 32.52 H new ATOM 0 HG LEU A 4 2.409 5.909 -3.286 1.00 14.11 H new ATOM 0 HD11 LEU A 4 3.021 6.168 -0.898 1.00 74.12 H new ATOM 0 HD12 LEU A 4 1.694 5.005 -1.134 1.00 74.12 H new ATOM 0 HD13 LEU A 4 3.342 4.420 -0.803 1.00 74.12 H new ATOM 0 HD21 LEU A 4 4.733 6.503 -2.641 1.00 64.13 H new ATOM 0 HD22 LEU A 4 5.170 4.778 -2.678 1.00 64.13 H new ATOM 0 HD23 LEU A 4 4.669 5.601 -4.175 1.00 64.13 H new ATOM 67 N LYS A 5 3.199 1.643 -6.289 1.00 55.14 N ATOM 68 CA LYS A 5 2.820 0.402 -6.968 1.00 34.14 C ATOM 69 C LYS A 5 3.409 -0.778 -6.197 1.00 5.30 C ATOM 70 O LYS A 5 4.623 -0.985 -6.224 1.00 74.50 O ATOM 71 CB LYS A 5 3.350 0.439 -8.421 1.00 61.51 C ATOM 72 CG LYS A 5 2.738 -0.615 -9.373 1.00 31.34 C ATOM 73 CD LYS A 5 3.390 -0.602 -10.782 1.00 0.52 C ATOM 74 CE LYS A 5 3.542 0.814 -11.386 1.00 24.34 C ATOM 75 NZ LYS A 5 2.262 1.579 -11.390 1.00 63.51 N ATOM 0 H LYS A 5 4.166 1.922 -6.456 1.00 55.14 H new ATOM 0 HA LYS A 5 1.736 0.293 -7.000 1.00 34.14 H new ATOM 0 HB2 LYS A 5 3.163 1.430 -8.834 1.00 61.51 H new ATOM 0 HB3 LYS A 5 4.431 0.302 -8.400 1.00 61.51 H new ATOM 0 HG2 LYS A 5 2.853 -1.606 -8.933 1.00 31.34 H new ATOM 0 HG3 LYS A 5 1.668 -0.432 -9.471 1.00 31.34 H new ATOM 0 HD2 LYS A 5 4.373 -1.069 -10.722 1.00 0.52 H new ATOM 0 HD3 LYS A 5 2.789 -1.212 -11.456 1.00 0.52 H new ATOM 0 HE2 LYS A 5 4.290 1.368 -10.819 1.00 24.34 H new ATOM 0 HE3 LYS A 5 3.914 0.731 -12.407 1.00 24.34 H new ATOM 0 HZ1 LYS A 5 2.088 1.960 -12.342 1.00 63.51 H new ATOM 0 HZ2 LYS A 5 1.480 0.948 -11.121 1.00 63.51 H new ATOM 0 HZ3 LYS A 5 2.324 2.363 -10.710 1.00 63.51 H new ATOM 89 N ILE A 6 2.555 -1.518 -5.492 1.00 21.24 N ATOM 90 CA ILE A 6 2.962 -2.686 -4.704 1.00 65.42 C ATOM 91 C ILE A 6 2.440 -3.949 -5.412 1.00 34.30 C ATOM 92 O ILE A 6 1.298 -3.974 -5.863 1.00 24.24 O ATOM 93 CB ILE A 6 2.406 -2.658 -3.220 1.00 21.23 C ATOM 94 CG1 ILE A 6 2.854 -1.374 -2.425 1.00 51.03 C ATOM 95 CG2 ILE A 6 2.830 -3.943 -2.453 1.00 43.30 C ATOM 96 CD1 ILE A 6 2.068 -0.100 -2.714 1.00 15.42 C ATOM 0 H ILE A 6 1.554 -1.325 -5.450 1.00 21.24 H new ATOM 0 HA ILE A 6 4.050 -2.679 -4.635 1.00 65.42 H new ATOM 0 HB ILE A 6 1.319 -2.624 -3.294 1.00 21.23 H new ATOM 0 HG12 ILE A 6 2.782 -1.588 -1.359 1.00 51.03 H new ATOM 0 HG13 ILE A 6 3.905 -1.185 -2.642 1.00 51.03 H new ATOM 0 HG21 ILE A 6 2.439 -3.905 -1.436 1.00 43.30 H new ATOM 0 HG22 ILE A 6 2.431 -4.820 -2.963 1.00 43.30 H new ATOM 0 HG23 ILE A 6 3.918 -4.006 -2.421 1.00 43.30 H new ATOM 0 HD11 ILE A 6 2.464 0.717 -2.111 1.00 15.42 H new ATOM 0 HD12 ILE A 6 2.159 0.152 -3.771 1.00 15.42 H new ATOM 0 HD13 ILE A 6 1.018 -0.257 -2.468 1.00 15.42 H new ATOM 108 N ASP A 7 3.282 -4.975 -5.539 1.00 1.13 N ATOM 109 CA ASP A 7 2.852 -6.304 -6.029 1.00 45.33 C ATOM 110 C ASP A 7 1.975 -7.002 -4.961 1.00 51.34 C ATOM 111 O ASP A 7 2.246 -6.871 -3.774 1.00 13.44 O ATOM 112 CB ASP A 7 4.096 -7.180 -6.352 1.00 13.35 C ATOM 113 CG ASP A 7 4.925 -7.536 -5.104 1.00 42.11 C ATOM 114 OD1 ASP A 7 5.540 -6.633 -4.512 1.00 72.22 O ATOM 115 OD2 ASP A 7 4.922 -8.705 -4.673 1.00 33.03 O ATOM 0 H ASP A 7 4.274 -4.919 -5.310 1.00 1.13 H new ATOM 0 HA ASP A 7 2.266 -6.174 -6.939 1.00 45.33 H new ATOM 0 HB2 ASP A 7 3.769 -8.099 -6.838 1.00 13.35 H new ATOM 0 HB3 ASP A 7 4.730 -6.651 -7.063 1.00 13.35 H new ATOM 120 N VAL A 8 0.908 -7.679 -5.387 1.00 73.24 N ATOM 121 CA VAL A 8 0.150 -8.629 -4.524 1.00 13.45 C ATOM 122 C VAL A 8 -0.188 -9.890 -5.330 1.00 32.43 C ATOM 123 O VAL A 8 -0.655 -9.802 -6.472 1.00 14.52 O ATOM 124 CB VAL A 8 -1.159 -8.005 -3.882 1.00 30.12 C ATOM 125 CG1 VAL A 8 -0.813 -6.972 -2.783 1.00 31.25 C ATOM 126 CG2 VAL A 8 -2.088 -7.388 -4.949 1.00 20.20 C ATOM 0 H VAL A 8 0.534 -7.596 -6.332 1.00 73.24 H new ATOM 0 HA VAL A 8 0.796 -8.880 -3.683 1.00 13.45 H new ATOM 0 HB VAL A 8 -1.703 -8.825 -3.413 1.00 30.12 H new ATOM 0 HG11 VAL A 8 -1.733 -6.564 -2.364 1.00 31.25 H new ATOM 0 HG12 VAL A 8 -0.240 -7.459 -1.994 1.00 31.25 H new ATOM 0 HG13 VAL A 8 -0.222 -6.165 -3.216 1.00 31.25 H new ATOM 0 HG21 VAL A 8 -2.972 -6.972 -4.465 1.00 20.20 H new ATOM 0 HG22 VAL A 8 -1.558 -6.596 -5.479 1.00 20.20 H new ATOM 0 HG23 VAL A 8 -2.391 -8.159 -5.657 1.00 20.20 H new ATOM 136 N SER A 9 0.108 -11.062 -4.747 1.00 11.31 N ATOM 137 CA SER A 9 -0.179 -12.355 -5.370 1.00 34.30 C ATOM 138 C SER A 9 -1.670 -12.658 -5.247 1.00 72.15 C ATOM 139 O SER A 9 -2.382 -12.767 -6.250 1.00 61.10 O ATOM 140 CB SER A 9 0.687 -13.462 -4.714 1.00 73.53 C ATOM 141 OG SER A 9 0.556 -13.456 -3.299 1.00 42.53 O ATOM 0 H SER A 9 0.552 -11.136 -3.832 1.00 11.31 H new ATOM 0 HA SER A 9 0.075 -12.322 -6.430 1.00 34.30 H new ATOM 0 HB2 SER A 9 0.391 -14.436 -5.104 1.00 73.53 H new ATOM 0 HB3 SER A 9 1.733 -13.315 -4.984 1.00 73.53 H new ATOM 0 HG SER A 9 -0.174 -14.055 -3.035 1.00 42.53 H new ATOM 147 N ASP A 10 -2.150 -12.714 -4.000 1.00 31.11 N ATOM 148 CA ASP A 10 -3.527 -13.115 -3.688 1.00 21.12 C ATOM 149 C ASP A 10 -4.462 -11.904 -3.589 1.00 60.04 C ATOM 150 O ASP A 10 -4.023 -10.746 -3.535 1.00 74.51 O ATOM 151 CB ASP A 10 -3.562 -13.912 -2.362 1.00 75.23 C ATOM 152 CG ASP A 10 -2.759 -15.222 -2.436 1.00 34.24 C ATOM 153 OD1 ASP A 10 -3.295 -16.234 -2.937 1.00 53.42 O ATOM 154 OD2 ASP A 10 -1.585 -15.239 -2.018 1.00 4.03 O ATOM 0 H ASP A 10 -1.594 -12.482 -3.177 1.00 31.11 H new ATOM 0 HA ASP A 10 -3.879 -13.746 -4.504 1.00 21.12 H new ATOM 0 HB2 ASP A 10 -3.164 -13.291 -1.559 1.00 75.23 H new ATOM 0 HB3 ASP A 10 -4.597 -14.139 -2.106 1.00 75.23 H new ATOM 159 N ASP A 11 -5.752 -12.227 -3.512 1.00 33.21 N ATOM 160 CA ASP A 11 -6.844 -11.257 -3.338 1.00 61.53 C ATOM 161 C ASP A 11 -6.985 -10.913 -1.838 1.00 2.15 C ATOM 162 O ASP A 11 -7.397 -9.806 -1.480 1.00 31.41 O ATOM 163 CB ASP A 11 -8.163 -11.858 -3.904 1.00 33.41 C ATOM 164 CG ASP A 11 -8.625 -13.141 -3.173 1.00 0.14 C ATOM 165 OD1 ASP A 11 -7.925 -14.175 -3.268 1.00 24.21 O ATOM 166 OD2 ASP A 11 -9.669 -13.118 -2.483 1.00 41.14 O ATOM 0 H ASP A 11 -6.080 -13.191 -3.570 1.00 33.21 H new ATOM 0 HA ASP A 11 -6.625 -10.339 -3.883 1.00 61.53 H new ATOM 0 HB2 ASP A 11 -8.952 -11.108 -3.837 1.00 33.41 H new ATOM 0 HB3 ASP A 11 -8.025 -12.083 -4.962 1.00 33.41 H new ATOM 171 N GLU A 12 -6.621 -11.893 -0.978 1.00 4.30 N ATOM 172 CA GLU A 12 -6.556 -11.733 0.489 1.00 21.30 C ATOM 173 C GLU A 12 -5.407 -10.783 0.850 1.00 10.32 C ATOM 174 O GLU A 12 -5.570 -9.877 1.679 1.00 31.31 O ATOM 175 CB GLU A 12 -6.344 -13.119 1.160 1.00 33.03 C ATOM 176 CG GLU A 12 -6.139 -13.072 2.689 1.00 5.31 C ATOM 177 CD GLU A 12 -5.848 -14.449 3.306 1.00 32.50 C ATOM 178 OE1 GLU A 12 -4.670 -14.866 3.316 1.00 11.12 O ATOM 179 OE2 GLU A 12 -6.791 -15.122 3.773 1.00 31.21 O ATOM 0 H GLU A 12 -6.361 -12.829 -1.291 1.00 4.30 H new ATOM 0 HA GLU A 12 -7.492 -11.309 0.852 1.00 21.30 H new ATOM 0 HB2 GLU A 12 -7.207 -13.748 0.942 1.00 33.03 H new ATOM 0 HB3 GLU A 12 -5.477 -13.598 0.706 1.00 33.03 H new ATOM 0 HG2 GLU A 12 -5.314 -12.398 2.917 1.00 5.31 H new ATOM 0 HG3 GLU A 12 -7.031 -12.654 3.155 1.00 5.31 H new ATOM 186 N GLU A 13 -4.246 -11.037 0.208 1.00 3.33 N ATOM 187 CA GLU A 13 -3.037 -10.203 0.300 1.00 52.51 C ATOM 188 C GLU A 13 -3.364 -8.714 0.097 1.00 22.13 C ATOM 189 O GLU A 13 -2.926 -7.862 0.878 1.00 21.30 O ATOM 190 CB GLU A 13 -2.014 -10.687 -0.763 1.00 24.13 C ATOM 191 CG GLU A 13 -0.621 -10.009 -0.720 1.00 52.12 C ATOM 192 CD GLU A 13 0.301 -10.486 0.421 1.00 54.11 C ATOM 193 OE1 GLU A 13 0.011 -10.212 1.596 1.00 54.21 O ATOM 194 OE2 GLU A 13 1.337 -11.131 0.133 1.00 30.43 O ATOM 0 H GLU A 13 -4.125 -11.846 -0.401 1.00 3.33 H new ATOM 0 HA GLU A 13 -2.611 -10.305 1.298 1.00 52.51 H new ATOM 0 HB2 GLU A 13 -1.877 -11.762 -0.644 1.00 24.13 H new ATOM 0 HB3 GLU A 13 -2.444 -10.527 -1.752 1.00 24.13 H new ATOM 0 HG2 GLU A 13 -0.118 -10.185 -1.671 1.00 52.12 H new ATOM 0 HG3 GLU A 13 -0.760 -8.932 -0.628 1.00 52.12 H new ATOM 201 N ALA A 14 -4.170 -8.434 -0.939 1.00 21.41 N ATOM 202 CA ALA A 14 -4.605 -7.075 -1.275 1.00 0.31 C ATOM 203 C ALA A 14 -5.381 -6.411 -0.120 1.00 32.25 C ATOM 204 O ALA A 14 -5.049 -5.294 0.280 1.00 63.21 O ATOM 205 CB ALA A 14 -5.453 -7.116 -2.542 1.00 72.01 C ATOM 0 H ALA A 14 -4.538 -9.148 -1.567 1.00 21.41 H new ATOM 0 HA ALA A 14 -3.717 -6.466 -1.447 1.00 0.31 H new ATOM 0 HB1 ALA A 14 -5.778 -6.107 -2.795 1.00 72.01 H new ATOM 0 HB2 ALA A 14 -4.862 -7.523 -3.362 1.00 72.01 H new ATOM 0 HB3 ALA A 14 -6.326 -7.747 -2.375 1.00 72.01 H new ATOM 211 N GLU A 15 -6.384 -7.137 0.434 1.00 4.21 N ATOM 212 CA GLU A 15 -7.252 -6.641 1.533 1.00 71.44 C ATOM 213 C GLU A 15 -6.425 -6.181 2.745 1.00 41.44 C ATOM 214 O GLU A 15 -6.750 -5.174 3.391 1.00 11.32 O ATOM 215 CB GLU A 15 -8.240 -7.752 1.986 1.00 2.35 C ATOM 216 CG GLU A 15 -9.190 -8.276 0.894 1.00 0.32 C ATOM 217 CD GLU A 15 -10.136 -9.362 1.422 1.00 44.51 C ATOM 218 OE1 GLU A 15 -9.747 -10.544 1.440 1.00 21.24 O ATOM 219 OE2 GLU A 15 -11.267 -9.031 1.847 1.00 43.24 O ATOM 0 H GLU A 15 -6.614 -8.083 0.132 1.00 4.21 H new ATOM 0 HA GLU A 15 -7.807 -5.786 1.145 1.00 71.44 H new ATOM 0 HB2 GLU A 15 -7.663 -8.591 2.375 1.00 2.35 H new ATOM 0 HB3 GLU A 15 -8.839 -7.367 2.811 1.00 2.35 H new ATOM 0 HG2 GLU A 15 -9.776 -7.447 0.497 1.00 0.32 H new ATOM 0 HG3 GLU A 15 -8.604 -8.677 0.067 1.00 0.32 H new ATOM 226 N LYS A 16 -5.353 -6.943 3.033 1.00 33.03 N ATOM 227 CA LYS A 16 -4.461 -6.686 4.171 1.00 61.42 C ATOM 228 C LYS A 16 -3.738 -5.341 4.024 1.00 11.12 C ATOM 229 O LYS A 16 -3.659 -4.572 4.984 1.00 33.14 O ATOM 230 CB LYS A 16 -3.422 -7.826 4.300 1.00 22.31 C ATOM 231 CG LYS A 16 -3.957 -9.222 4.711 1.00 33.41 C ATOM 232 CD LYS A 16 -4.311 -9.369 6.224 1.00 44.11 C ATOM 233 CE LYS A 16 -5.669 -8.761 6.608 1.00 53.43 C ATOM 234 NZ LYS A 16 -6.776 -9.310 5.774 1.00 41.32 N ATOM 0 H LYS A 16 -5.084 -7.756 2.479 1.00 33.03 H new ATOM 0 HA LYS A 16 -5.073 -6.646 5.072 1.00 61.42 H new ATOM 0 HB2 LYS A 16 -2.910 -7.928 3.343 1.00 22.31 H new ATOM 0 HB3 LYS A 16 -2.673 -7.521 5.031 1.00 22.31 H new ATOM 0 HG2 LYS A 16 -4.847 -9.442 4.121 1.00 33.41 H new ATOM 0 HG3 LYS A 16 -3.210 -9.972 4.453 1.00 33.41 H new ATOM 0 HD2 LYS A 16 -4.311 -10.427 6.486 1.00 44.11 H new ATOM 0 HD3 LYS A 16 -3.530 -8.893 6.818 1.00 44.11 H new ATOM 0 HE2 LYS A 16 -5.873 -8.961 7.660 1.00 53.43 H new ATOM 0 HE3 LYS A 16 -5.629 -7.678 6.492 1.00 53.43 H new ATOM 0 HZ1 LYS A 16 -7.685 -9.140 6.249 1.00 41.32 H new ATOM 0 HZ2 LYS A 16 -6.777 -8.841 4.846 1.00 41.32 H new ATOM 0 HZ3 LYS A 16 -6.639 -10.333 5.644 1.00 41.32 H new ATOM 248 N ILE A 17 -3.233 -5.072 2.807 1.00 3.13 N ATOM 249 CA ILE A 17 -2.478 -3.844 2.496 1.00 12.31 C ATOM 250 C ILE A 17 -3.376 -2.607 2.705 1.00 54.34 C ATOM 251 O ILE A 17 -3.004 -1.670 3.412 1.00 11.52 O ATOM 252 CB ILE A 17 -1.919 -3.881 1.023 1.00 52.14 C ATOM 253 CG1 ILE A 17 -1.098 -5.185 0.759 1.00 2.45 C ATOM 254 CG2 ILE A 17 -1.076 -2.630 0.689 1.00 24.55 C ATOM 255 CD1 ILE A 17 0.028 -5.484 1.748 1.00 33.10 C ATOM 0 H ILE A 17 -3.337 -5.700 2.010 1.00 3.13 H new ATOM 0 HA ILE A 17 -1.627 -3.781 3.174 1.00 12.31 H new ATOM 0 HB ILE A 17 -2.784 -3.880 0.359 1.00 52.14 H new ATOM 0 HG12 ILE A 17 -1.787 -6.030 0.758 1.00 2.45 H new ATOM 0 HG13 ILE A 17 -0.669 -5.123 -0.241 1.00 2.45 H new ATOM 0 HG21 ILE A 17 -0.712 -2.700 -0.336 1.00 24.55 H new ATOM 0 HG22 ILE A 17 -1.692 -1.737 0.795 1.00 24.55 H new ATOM 0 HG23 ILE A 17 -0.228 -2.569 1.372 1.00 24.55 H new ATOM 0 HD11 ILE A 17 0.525 -6.411 1.464 1.00 33.10 H new ATOM 0 HD12 ILE A 17 0.749 -4.667 1.736 1.00 33.10 H new ATOM 0 HD13 ILE A 17 -0.386 -5.587 2.751 1.00 33.10 H new ATOM 267 N ILE A 18 -4.591 -2.671 2.136 1.00 24.41 N ATOM 268 CA ILE A 18 -5.584 -1.591 2.194 1.00 10.33 C ATOM 269 C ILE A 18 -5.962 -1.270 3.657 1.00 0.13 C ATOM 270 O ILE A 18 -5.900 -0.108 4.062 1.00 2.24 O ATOM 271 CB ILE A 18 -6.859 -1.971 1.333 1.00 40.52 C ATOM 272 CG1 ILE A 18 -6.622 -1.737 -0.194 1.00 31.45 C ATOM 273 CG2 ILE A 18 -8.124 -1.209 1.786 1.00 72.24 C ATOM 274 CD1 ILE A 18 -5.447 -2.457 -0.823 1.00 43.45 C ATOM 0 H ILE A 18 -4.913 -3.487 1.616 1.00 24.41 H new ATOM 0 HA ILE A 18 -5.146 -0.689 1.766 1.00 10.33 H new ATOM 0 HB ILE A 18 -7.024 -3.035 1.502 1.00 40.52 H new ATOM 0 HG12 ILE A 18 -7.526 -2.033 -0.727 1.00 31.45 H new ATOM 0 HG13 ILE A 18 -6.491 -0.667 -0.357 1.00 31.45 H new ATOM 0 HG21 ILE A 18 -8.969 -1.505 1.165 1.00 72.24 H new ATOM 0 HG22 ILE A 18 -8.339 -1.447 2.828 1.00 72.24 H new ATOM 0 HG23 ILE A 18 -7.958 -0.136 1.686 1.00 72.24 H new ATOM 0 HD11 ILE A 18 -5.394 -2.210 -1.883 1.00 43.45 H new ATOM 0 HD12 ILE A 18 -4.525 -2.147 -0.332 1.00 43.45 H new ATOM 0 HD13 ILE A 18 -5.575 -3.533 -0.707 1.00 43.45 H new ATOM 286 N ARG A 19 -6.303 -2.319 4.446 1.00 62.34 N ATOM 287 CA ARG A 19 -6.730 -2.153 5.849 1.00 50.23 C ATOM 288 C ARG A 19 -5.615 -1.515 6.687 1.00 10.34 C ATOM 289 O ARG A 19 -5.851 -0.525 7.389 1.00 32.52 O ATOM 290 CB ARG A 19 -7.155 -3.510 6.473 1.00 33.54 C ATOM 291 CG ARG A 19 -7.570 -3.425 7.970 1.00 61.04 C ATOM 292 CD ARG A 19 -8.037 -4.768 8.556 1.00 53.32 C ATOM 293 NE ARG A 19 -9.249 -5.266 7.896 1.00 64.32 N ATOM 294 CZ ARG A 19 -9.905 -6.399 8.193 1.00 74.40 C ATOM 295 NH1 ARG A 19 -9.487 -7.207 9.169 1.00 70.32 N ATOM 296 NH2 ARG A 19 -10.965 -6.739 7.469 1.00 23.44 N ATOM 0 H ARG A 19 -6.289 -3.289 4.129 1.00 62.34 H new ATOM 0 HA ARG A 19 -7.594 -1.489 5.852 1.00 50.23 H new ATOM 0 HB2 ARG A 19 -7.989 -3.915 5.899 1.00 33.54 H new ATOM 0 HB3 ARG A 19 -6.330 -4.215 6.377 1.00 33.54 H new ATOM 0 HG2 ARG A 19 -6.725 -3.058 8.552 1.00 61.04 H new ATOM 0 HG3 ARG A 19 -8.371 -2.694 8.075 1.00 61.04 H new ATOM 0 HD2 ARG A 19 -7.240 -5.505 8.453 1.00 53.32 H new ATOM 0 HD3 ARG A 19 -8.228 -4.651 9.623 1.00 53.32 H new ATOM 0 HE ARG A 19 -9.629 -4.697 7.140 1.00 64.32 H new ATOM 0 HH11 ARG A 19 -8.654 -6.969 9.707 1.00 70.32 H new ATOM 0 HH12 ARG A 19 -10.001 -8.063 9.378 1.00 70.32 H new ATOM 0 HH21 ARG A 19 -11.270 -6.142 6.700 1.00 23.44 H new ATOM 0 HH22 ARG A 19 -11.474 -7.597 7.682 1.00 23.44 H new ATOM 310 N GLU A 20 -4.395 -2.064 6.538 1.00 65.42 N ATOM 311 CA GLU A 20 -3.209 -1.643 7.300 1.00 13.32 C ATOM 312 C GLU A 20 -2.935 -0.139 7.119 1.00 64.40 C ATOM 313 O GLU A 20 -2.657 0.571 8.093 1.00 41.12 O ATOM 314 CB GLU A 20 -1.991 -2.489 6.853 1.00 72.31 C ATOM 315 CG GLU A 20 -0.668 -2.199 7.595 1.00 2.22 C ATOM 316 CD GLU A 20 -0.719 -2.403 9.123 1.00 41.43 C ATOM 317 OE1 GLU A 20 -1.003 -3.538 9.568 1.00 51.54 O ATOM 318 OE2 GLU A 20 -0.459 -1.435 9.883 1.00 40.02 O ATOM 0 H GLU A 20 -4.205 -2.819 5.879 1.00 65.42 H new ATOM 0 HA GLU A 20 -3.391 -1.809 8.362 1.00 13.32 H new ATOM 0 HB2 GLU A 20 -2.236 -3.543 6.983 1.00 72.31 H new ATOM 0 HB3 GLU A 20 -1.831 -2.328 5.787 1.00 72.31 H new ATOM 0 HG2 GLU A 20 0.110 -2.842 7.184 1.00 2.22 H new ATOM 0 HG3 GLU A 20 -0.372 -1.170 7.391 1.00 2.22 H new ATOM 325 N ILE A 21 -3.046 0.335 5.865 1.00 30.32 N ATOM 326 CA ILE A 21 -2.849 1.751 5.534 1.00 44.32 C ATOM 327 C ILE A 21 -4.026 2.610 6.053 1.00 30.05 C ATOM 328 O ILE A 21 -3.805 3.662 6.643 1.00 63.32 O ATOM 329 CB ILE A 21 -2.661 1.962 3.986 1.00 71.03 C ATOM 330 CG1 ILE A 21 -1.469 1.113 3.442 1.00 53.52 C ATOM 331 CG2 ILE A 21 -2.470 3.454 3.628 1.00 63.31 C ATOM 332 CD1 ILE A 21 -0.122 1.387 4.091 1.00 60.44 C ATOM 0 H ILE A 21 -3.273 -0.250 5.061 1.00 30.32 H new ATOM 0 HA ILE A 21 -1.935 2.076 6.032 1.00 44.32 H new ATOM 0 HB ILE A 21 -3.577 1.619 3.504 1.00 71.03 H new ATOM 0 HG12 ILE A 21 -1.708 0.058 3.572 1.00 53.52 H new ATOM 0 HG13 ILE A 21 -1.379 1.289 2.370 1.00 53.52 H new ATOM 0 HG21 ILE A 21 -2.344 3.556 2.550 1.00 63.31 H new ATOM 0 HG22 ILE A 21 -3.346 4.019 3.946 1.00 63.31 H new ATOM 0 HG23 ILE A 21 -1.586 3.840 4.135 1.00 63.31 H new ATOM 0 HD11 ILE A 21 0.636 0.746 3.641 1.00 60.44 H new ATOM 0 HD12 ILE A 21 0.150 2.432 3.939 1.00 60.44 H new ATOM 0 HD13 ILE A 21 -0.184 1.181 5.159 1.00 60.44 H new ATOM 344 N ARG A 22 -5.270 2.137 5.862 1.00 20.44 N ATOM 345 CA ARG A 22 -6.484 2.936 6.164 1.00 64.10 C ATOM 346 C ARG A 22 -6.772 3.071 7.677 1.00 25.02 C ATOM 347 O ARG A 22 -7.504 3.981 8.074 1.00 34.23 O ATOM 348 CB ARG A 22 -7.724 2.374 5.419 1.00 52.01 C ATOM 349 CG ARG A 22 -7.702 2.638 3.894 1.00 21.34 C ATOM 350 CD ARG A 22 -8.984 2.168 3.185 1.00 74.15 C ATOM 351 NE ARG A 22 -10.200 2.848 3.692 1.00 43.23 N ATOM 352 CZ ARG A 22 -11.403 2.859 3.081 1.00 1.22 C ATOM 353 NH1 ARG A 22 -11.593 2.238 1.915 1.00 12.24 N ATOM 354 NH2 ARG A 22 -12.422 3.492 3.660 1.00 30.31 N ATOM 0 H ARG A 22 -5.468 1.204 5.499 1.00 20.44 H new ATOM 0 HA ARG A 22 -6.277 3.942 5.799 1.00 64.10 H new ATOM 0 HB2 ARG A 22 -7.786 1.300 5.593 1.00 52.01 H new ATOM 0 HB3 ARG A 22 -8.625 2.818 5.843 1.00 52.01 H new ATOM 0 HG2 ARG A 22 -7.566 3.705 3.717 1.00 21.34 H new ATOM 0 HG3 ARG A 22 -6.843 2.130 3.455 1.00 21.34 H new ATOM 0 HD2 ARG A 22 -8.890 2.351 2.115 1.00 74.15 H new ATOM 0 HD3 ARG A 22 -9.093 1.091 3.316 1.00 74.15 H new ATOM 0 HE ARG A 22 -10.121 3.349 4.577 1.00 43.23 H new ATOM 0 HH11 ARG A 22 -10.821 1.743 1.469 1.00 12.24 H new ATOM 0 HH12 ARG A 22 -12.511 2.258 1.470 1.00 12.24 H new ATOM 0 HH21 ARG A 22 -12.288 3.962 4.556 1.00 30.31 H new ATOM 0 HH22 ARG A 22 -13.336 3.507 3.208 1.00 30.31 H new ATOM 368 N GLU A 23 -6.196 2.197 8.518 1.00 23.44 N ATOM 369 CA GLU A 23 -6.384 2.275 9.989 1.00 72.14 C ATOM 370 C GLU A 23 -5.570 3.436 10.585 1.00 25.53 C ATOM 371 O GLU A 23 -6.027 4.120 11.507 1.00 35.11 O ATOM 372 CB GLU A 23 -5.996 0.938 10.669 1.00 43.04 C ATOM 373 CG GLU A 23 -6.966 -0.231 10.383 1.00 65.44 C ATOM 374 CD GLU A 23 -6.546 -1.532 11.084 1.00 35.12 C ATOM 375 OE1 GLU A 23 -5.576 -2.167 10.621 1.00 65.01 O ATOM 376 OE2 GLU A 23 -7.161 -1.917 12.109 1.00 24.13 O ATOM 0 H GLU A 23 -5.598 1.429 8.214 1.00 23.44 H new ATOM 0 HA GLU A 23 -7.441 2.462 10.180 1.00 72.14 H new ATOM 0 HB2 GLU A 23 -4.997 0.654 10.339 1.00 43.04 H new ATOM 0 HB3 GLU A 23 -5.943 1.095 11.746 1.00 43.04 H new ATOM 0 HG2 GLU A 23 -7.969 0.046 10.709 1.00 65.44 H new ATOM 0 HG3 GLU A 23 -7.016 -0.402 9.308 1.00 65.44 H new ATOM 383 N GLN A 24 -4.355 3.639 10.058 1.00 42.42 N ATOM 384 CA GLN A 24 -3.451 4.718 10.509 1.00 30.45 C ATOM 385 C GLN A 24 -3.712 6.002 9.712 1.00 10.30 C ATOM 386 O GLN A 24 -3.593 7.115 10.236 1.00 1.25 O ATOM 387 CB GLN A 24 -1.976 4.273 10.348 1.00 60.45 C ATOM 388 CG GLN A 24 -1.672 2.890 10.951 1.00 3.22 C ATOM 389 CD GLN A 24 -0.184 2.564 11.007 1.00 54.32 C ATOM 390 OE1 GLN A 24 0.605 3.032 10.185 1.00 71.11 O ATOM 391 NE2 GLN A 24 0.211 1.750 11.969 1.00 35.51 N ATOM 0 H GLN A 24 -3.968 3.065 9.309 1.00 42.42 H new ATOM 0 HA GLN A 24 -3.644 4.922 11.562 1.00 30.45 H new ATOM 0 HB2 GLN A 24 -1.725 4.259 9.287 1.00 60.45 H new ATOM 0 HB3 GLN A 24 -1.330 5.014 10.819 1.00 60.45 H new ATOM 0 HG2 GLN A 24 -2.084 2.844 11.959 1.00 3.22 H new ATOM 0 HG3 GLN A 24 -2.181 2.126 10.363 1.00 3.22 H new ATOM 0 HE21 GLN A 24 -0.468 1.379 12.634 1.00 35.51 H new ATOM 0 HE22 GLN A 24 1.195 1.492 12.047 1.00 35.51 H new ATOM 400 N TRP A 25 -4.041 5.815 8.434 1.00 4.14 N ATOM 401 CA TRP A 25 -4.347 6.913 7.496 1.00 44.53 C ATOM 402 C TRP A 25 -5.762 6.716 6.913 1.00 74.12 C ATOM 403 O TRP A 25 -5.911 6.147 5.824 1.00 44.31 O ATOM 404 CB TRP A 25 -3.293 6.962 6.360 1.00 24.14 C ATOM 405 CG TRP A 25 -1.874 7.182 6.825 1.00 0.50 C ATOM 406 CD1 TRP A 25 -1.292 8.367 7.176 1.00 34.31 C ATOM 407 CD2 TRP A 25 -0.856 6.179 6.987 1.00 32.43 C ATOM 408 NE1 TRP A 25 0.003 8.156 7.564 1.00 32.32 N ATOM 409 CE2 TRP A 25 0.295 6.828 7.449 1.00 42.25 C ATOM 410 CE3 TRP A 25 -0.813 4.794 6.783 1.00 62.31 C ATOM 411 CZ2 TRP A 25 1.471 6.145 7.719 1.00 2.42 C ATOM 412 CZ3 TRP A 25 0.353 4.113 7.049 1.00 60.31 C ATOM 413 CH2 TRP A 25 1.485 4.789 7.511 1.00 63.13 C ATOM 0 H TRP A 25 -4.105 4.890 8.009 1.00 4.14 H new ATOM 0 HA TRP A 25 -4.313 7.861 8.032 1.00 44.53 H new ATOM 0 HB2 TRP A 25 -3.337 6.027 5.802 1.00 24.14 H new ATOM 0 HB3 TRP A 25 -3.562 7.760 5.668 1.00 24.14 H new ATOM 0 HD1 TRP A 25 -1.782 9.329 7.151 1.00 34.31 H new ATOM 0 HE1 TRP A 25 0.648 8.877 7.888 1.00 32.32 H new ATOM 0 HE3 TRP A 25 -1.684 4.267 6.422 1.00 62.31 H new ATOM 0 HZ2 TRP A 25 2.347 6.663 8.081 1.00 2.42 H new ATOM 0 HZ3 TRP A 25 0.393 3.044 6.899 1.00 60.31 H new ATOM 0 HH2 TRP A 25 2.389 4.233 7.708 1.00 63.13 H new ATOM 424 N PRO A 26 -6.831 7.169 7.636 1.00 35.31 N ATOM 425 CA PRO A 26 -8.239 6.981 7.186 1.00 52.13 C ATOM 426 C PRO A 26 -8.570 7.782 5.919 1.00 23.44 C ATOM 427 O PRO A 26 -9.519 7.460 5.189 1.00 44.23 O ATOM 428 CB PRO A 26 -9.065 7.465 8.406 1.00 44.23 C ATOM 429 CG PRO A 26 -8.165 8.431 9.123 1.00 10.43 C ATOM 430 CD PRO A 26 -6.762 7.890 8.942 1.00 13.44 C ATOM 0 HA PRO A 26 -8.450 5.950 6.903 1.00 52.13 H new ATOM 0 HB2 PRO A 26 -9.990 7.947 8.091 1.00 44.23 H new ATOM 0 HB3 PRO A 26 -9.343 6.631 9.051 1.00 44.23 H new ATOM 0 HG2 PRO A 26 -8.255 9.434 8.706 1.00 10.43 H new ATOM 0 HG3 PRO A 26 -8.426 8.500 10.179 1.00 10.43 H new ATOM 0 HD2 PRO A 26 -6.023 8.691 8.920 1.00 13.44 H new ATOM 0 HD3 PRO A 26 -6.482 7.221 9.755 1.00 13.44 H new ATOM 438 N LYS A 27 -7.784 8.839 5.676 1.00 52.34 N ATOM 439 CA LYS A 27 -7.978 9.750 4.539 1.00 4.54 C ATOM 440 C LYS A 27 -7.149 9.315 3.312 1.00 53.42 C ATOM 441 O LYS A 27 -7.360 9.844 2.214 1.00 41.13 O ATOM 442 CB LYS A 27 -7.612 11.205 4.952 1.00 41.42 C ATOM 443 CG LYS A 27 -8.266 11.692 6.263 1.00 42.41 C ATOM 444 CD LYS A 27 -9.806 11.569 6.252 1.00 33.41 C ATOM 445 CE LYS A 27 -10.446 12.151 7.521 1.00 33.44 C ATOM 446 NZ LYS A 27 -10.216 13.617 7.653 1.00 74.13 N ATOM 0 H LYS A 27 -6.990 9.088 6.266 1.00 52.34 H new ATOM 0 HA LYS A 27 -9.030 9.711 4.255 1.00 4.54 H new ATOM 0 HB2 LYS A 27 -6.529 11.277 5.055 1.00 41.42 H new ATOM 0 HB3 LYS A 27 -7.901 11.880 4.146 1.00 41.42 H new ATOM 0 HG2 LYS A 27 -7.867 11.115 7.098 1.00 42.41 H new ATOM 0 HG3 LYS A 27 -7.991 12.733 6.435 1.00 42.41 H new ATOM 0 HD2 LYS A 27 -10.203 12.085 5.378 1.00 33.41 H new ATOM 0 HD3 LYS A 27 -10.084 10.519 6.156 1.00 33.41 H new ATOM 0 HE2 LYS A 27 -11.518 11.954 7.507 1.00 33.44 H new ATOM 0 HE3 LYS A 27 -10.040 11.642 8.395 1.00 33.44 H new ATOM 0 HZ1 LYS A 27 -10.815 13.995 8.414 1.00 74.13 H new ATOM 0 HZ2 LYS A 27 -9.216 13.793 7.880 1.00 74.13 H new ATOM 0 HZ3 LYS A 27 -10.455 14.088 6.757 1.00 74.13 H new ATOM 460 N ALA A 28 -6.212 8.355 3.498 1.00 30.35 N ATOM 461 CA ALA A 28 -5.344 7.857 2.408 1.00 25.52 C ATOM 462 C ALA A 28 -6.176 7.209 1.283 1.00 65.54 C ATOM 463 O ALA A 28 -6.845 6.193 1.501 1.00 54.54 O ATOM 464 CB ALA A 28 -4.307 6.855 2.950 1.00 23.35 C ATOM 0 H ALA A 28 -6.039 7.909 4.399 1.00 30.35 H new ATOM 0 HA ALA A 28 -4.816 8.713 1.989 1.00 25.52 H new ATOM 0 HB1 ALA A 28 -3.680 6.502 2.131 1.00 23.35 H new ATOM 0 HB2 ALA A 28 -3.685 7.345 3.699 1.00 23.35 H new ATOM 0 HB3 ALA A 28 -4.822 6.008 3.404 1.00 23.35 H new ATOM 470 N THR A 29 -6.126 7.827 0.103 1.00 74.34 N ATOM 471 CA THR A 29 -6.820 7.350 -1.100 1.00 65.05 C ATOM 472 C THR A 29 -6.093 6.109 -1.659 1.00 52.15 C ATOM 473 O THR A 29 -4.919 6.187 -2.012 1.00 35.21 O ATOM 474 CB THR A 29 -6.869 8.497 -2.159 1.00 42.40 C ATOM 475 OG1 THR A 29 -7.536 9.649 -1.596 1.00 54.31 O ATOM 476 CG2 THR A 29 -7.584 8.093 -3.457 1.00 70.44 C ATOM 0 H THR A 29 -5.596 8.685 -0.049 1.00 74.34 H new ATOM 0 HA THR A 29 -7.842 7.064 -0.852 1.00 65.05 H new ATOM 0 HB THR A 29 -5.835 8.728 -2.416 1.00 42.40 H new ATOM 0 HG1 THR A 29 -7.564 10.368 -2.261 1.00 54.31 H new ATOM 0 HG21 THR A 29 -7.583 8.934 -4.150 1.00 70.44 H new ATOM 0 HG22 THR A 29 -7.065 7.249 -3.911 1.00 70.44 H new ATOM 0 HG23 THR A 29 -8.612 7.809 -3.233 1.00 70.44 H new ATOM 484 N VAL A 30 -6.780 4.954 -1.680 1.00 30.32 N ATOM 485 CA VAL A 30 -6.211 3.697 -2.194 1.00 61.12 C ATOM 486 C VAL A 30 -7.047 3.208 -3.392 1.00 54.11 C ATOM 487 O VAL A 30 -8.276 3.138 -3.307 1.00 50.31 O ATOM 488 CB VAL A 30 -6.175 2.557 -1.099 1.00 55.04 C ATOM 489 CG1 VAL A 30 -5.283 1.386 -1.565 1.00 24.44 C ATOM 490 CG2 VAL A 30 -5.725 3.072 0.291 1.00 71.24 C ATOM 0 H VAL A 30 -7.739 4.866 -1.344 1.00 30.32 H new ATOM 0 HA VAL A 30 -5.184 3.906 -2.493 1.00 61.12 H new ATOM 0 HB VAL A 30 -7.198 2.200 -0.982 1.00 55.04 H new ATOM 0 HG11 VAL A 30 -5.270 0.611 -0.799 1.00 24.44 H new ATOM 0 HG12 VAL A 30 -5.680 0.973 -2.492 1.00 24.44 H new ATOM 0 HG13 VAL A 30 -4.268 1.746 -1.733 1.00 24.44 H new ATOM 0 HG21 VAL A 30 -5.720 2.245 1.001 1.00 71.24 H new ATOM 0 HG22 VAL A 30 -4.722 3.492 0.216 1.00 71.24 H new ATOM 0 HG23 VAL A 30 -6.416 3.841 0.635 1.00 71.24 H new ATOM 500 N THR A 31 -6.370 2.914 -4.507 1.00 42.12 N ATOM 501 CA THR A 31 -6.955 2.200 -5.654 1.00 0.44 C ATOM 502 C THR A 31 -6.488 0.729 -5.593 1.00 2.11 C ATOM 503 O THR A 31 -5.292 0.450 -5.717 1.00 72.12 O ATOM 504 CB THR A 31 -6.499 2.860 -6.993 1.00 43.23 C ATOM 505 OG1 THR A 31 -6.842 4.255 -6.992 1.00 13.31 O ATOM 506 CG2 THR A 31 -7.116 2.189 -8.231 1.00 51.11 C ATOM 0 H THR A 31 -5.391 3.166 -4.643 1.00 42.12 H new ATOM 0 HA THR A 31 -8.043 2.249 -5.611 1.00 0.44 H new ATOM 0 HB THR A 31 -5.418 2.730 -7.055 1.00 43.23 H new ATOM 0 HG1 THR A 31 -6.552 4.664 -7.834 1.00 13.31 H new ATOM 0 HG21 THR A 31 -6.762 2.691 -9.131 1.00 51.11 H new ATOM 0 HG22 THR A 31 -6.822 1.140 -8.261 1.00 51.11 H new ATOM 0 HG23 THR A 31 -8.203 2.259 -8.180 1.00 51.11 H new ATOM 514 N ARG A 32 -7.422 -0.203 -5.383 1.00 64.43 N ATOM 515 CA ARG A 32 -7.093 -1.628 -5.207 1.00 13.40 C ATOM 516 C ARG A 32 -7.461 -2.399 -6.469 1.00 10.40 C ATOM 517 O ARG A 32 -8.644 -2.641 -6.728 1.00 74.01 O ATOM 518 CB ARG A 32 -7.877 -2.229 -4.015 1.00 22.31 C ATOM 519 CG ARG A 32 -7.540 -3.713 -3.705 1.00 73.12 C ATOM 520 CD ARG A 32 -8.608 -4.410 -2.846 1.00 53.33 C ATOM 521 NE ARG A 32 -9.075 -3.580 -1.730 1.00 52.34 N ATOM 522 CZ ARG A 32 -9.833 -3.992 -0.715 1.00 75.24 C ATOM 523 NH1 ARG A 32 -10.236 -5.260 -0.611 1.00 4.50 N ATOM 524 NH2 ARG A 32 -10.257 -3.088 0.150 1.00 21.24 N ATOM 0 H ARG A 32 -8.420 0.002 -5.330 1.00 64.43 H new ATOM 0 HA ARG A 32 -6.024 -1.709 -5.011 1.00 13.40 H new ATOM 0 HB2 ARG A 32 -7.677 -1.631 -3.126 1.00 22.31 H new ATOM 0 HB3 ARG A 32 -8.944 -2.147 -4.220 1.00 22.31 H new ATOM 0 HG2 ARG A 32 -7.426 -4.256 -4.643 1.00 73.12 H new ATOM 0 HG3 ARG A 32 -6.581 -3.761 -3.190 1.00 73.12 H new ATOM 0 HD2 ARG A 32 -9.458 -4.674 -3.476 1.00 53.33 H new ATOM 0 HD3 ARG A 32 -8.200 -5.341 -2.453 1.00 53.33 H new ATOM 0 HE ARG A 32 -8.794 -2.599 -1.731 1.00 52.34 H new ATOM 0 HH11 ARG A 32 -9.964 -5.941 -1.320 1.00 4.50 H new ATOM 0 HH12 ARG A 32 -10.816 -5.548 0.177 1.00 4.50 H new ATOM 0 HH21 ARG A 32 -10.002 -2.108 0.029 1.00 21.24 H new ATOM 0 HH22 ARG A 32 -10.839 -3.370 0.939 1.00 21.24 H new ATOM 538 N THR A 33 -6.469 -2.722 -7.292 1.00 10.21 N ATOM 539 CA THR A 33 -6.598 -3.781 -8.304 1.00 12.21 C ATOM 540 C THR A 33 -5.723 -4.987 -7.881 1.00 30.03 C ATOM 541 O THR A 33 -4.575 -4.806 -7.469 1.00 4.20 O ATOM 542 CB THR A 33 -6.172 -3.236 -9.716 1.00 52.50 C ATOM 543 OG1 THR A 33 -4.814 -2.768 -9.685 1.00 15.33 O ATOM 544 CG2 THR A 33 -7.066 -2.063 -10.176 1.00 64.15 C ATOM 0 H THR A 33 -5.557 -2.265 -7.282 1.00 10.21 H new ATOM 0 HA THR A 33 -7.636 -4.105 -8.375 1.00 12.21 H new ATOM 0 HB THR A 33 -6.279 -4.066 -10.415 1.00 52.50 H new ATOM 0 HG1 THR A 33 -4.440 -2.909 -8.790 1.00 15.33 H new ATOM 0 HG21 THR A 33 -6.737 -1.717 -11.156 1.00 64.15 H new ATOM 0 HG22 THR A 33 -8.102 -2.397 -10.238 1.00 64.15 H new ATOM 0 HG23 THR A 33 -6.991 -1.246 -9.459 1.00 64.15 H new ATOM 552 N ASN A 34 -6.302 -6.201 -7.900 1.00 11.22 N ATOM 553 CA ASN A 34 -5.547 -7.452 -7.642 1.00 14.35 C ATOM 554 C ASN A 34 -4.353 -7.568 -8.621 1.00 12.13 C ATOM 555 O ASN A 34 -4.508 -7.344 -9.821 1.00 33.01 O ATOM 556 CB ASN A 34 -6.484 -8.680 -7.772 1.00 74.24 C ATOM 557 CG ASN A 34 -5.801 -10.022 -7.466 1.00 44.33 C ATOM 558 OD1 ASN A 34 -4.889 -10.109 -6.643 1.00 15.30 O ATOM 559 ND2 ASN A 34 -6.220 -11.069 -8.147 1.00 32.12 N ATOM 0 H ASN A 34 -7.293 -6.348 -8.091 1.00 11.22 H new ATOM 0 HA ASN A 34 -5.156 -7.425 -6.625 1.00 14.35 H new ATOM 0 HB2 ASN A 34 -7.330 -8.552 -7.096 1.00 74.24 H new ATOM 0 HB3 ASN A 34 -6.887 -8.711 -8.784 1.00 74.24 H new ATOM 0 HD21 ASN A 34 -5.787 -11.981 -7.999 1.00 32.12 H new ATOM 0 HD22 ASN A 34 -6.978 -10.968 -8.823 1.00 32.12 H new ATOM 566 N GLY A 35 -3.174 -7.929 -8.097 1.00 44.23 N ATOM 567 CA GLY A 35 -1.919 -7.845 -8.855 1.00 1.13 C ATOM 568 C GLY A 35 -1.097 -6.615 -8.481 1.00 4.12 C ATOM 569 O GLY A 35 0.082 -6.736 -8.127 1.00 2.24 O ATOM 0 H GLY A 35 -3.063 -8.283 -7.147 1.00 44.23 H new ATOM 0 HA2 GLY A 35 -1.328 -8.743 -8.675 1.00 1.13 H new ATOM 0 HA3 GLY A 35 -2.142 -7.819 -9.922 1.00 1.13 H new ATOM 573 N ASP A 36 -1.720 -5.421 -8.543 1.00 61.11 N ATOM 574 CA ASP A 36 -1.024 -4.135 -8.321 1.00 12.44 C ATOM 575 C ASP A 36 -1.850 -3.236 -7.385 1.00 73.21 C ATOM 576 O ASP A 36 -2.929 -2.772 -7.762 1.00 14.14 O ATOM 577 CB ASP A 36 -0.819 -3.381 -9.672 1.00 23.54 C ATOM 578 CG ASP A 36 -0.017 -4.164 -10.727 1.00 35.21 C ATOM 579 OD1 ASP A 36 -0.607 -5.027 -11.421 1.00 53.04 O ATOM 580 OD2 ASP A 36 1.201 -3.914 -10.872 1.00 3.41 O ATOM 0 H ASP A 36 -2.714 -5.320 -8.747 1.00 61.11 H new ATOM 0 HA ASP A 36 -0.056 -4.354 -7.871 1.00 12.44 H new ATOM 0 HB2 ASP A 36 -1.796 -3.134 -10.087 1.00 23.54 H new ATOM 0 HB3 ASP A 36 -0.309 -2.438 -9.473 1.00 23.54 H new ATOM 585 N ILE A 37 -1.329 -2.928 -6.194 1.00 2.32 N ATOM 586 CA ILE A 37 -2.002 -2.043 -5.244 1.00 32.40 C ATOM 587 C ILE A 37 -1.456 -0.643 -5.441 1.00 24.21 C ATOM 588 O ILE A 37 -0.291 -0.368 -5.149 1.00 25.15 O ATOM 589 CB ILE A 37 -1.808 -2.502 -3.755 1.00 13.31 C ATOM 590 CG1 ILE A 37 -2.428 -3.908 -3.544 1.00 3.23 C ATOM 591 CG2 ILE A 37 -2.401 -1.479 -2.747 1.00 32.21 C ATOM 592 CD1 ILE A 37 -3.892 -4.038 -3.947 1.00 72.33 C ATOM 0 H ILE A 37 -0.432 -3.284 -5.864 1.00 2.32 H new ATOM 0 HA ILE A 37 -3.075 -2.073 -5.436 1.00 32.40 H new ATOM 0 HB ILE A 37 -0.737 -2.554 -3.561 1.00 13.31 H new ATOM 0 HG12 ILE A 37 -1.845 -4.633 -4.112 1.00 3.23 H new ATOM 0 HG13 ILE A 37 -2.332 -4.176 -2.492 1.00 3.23 H new ATOM 0 HG21 ILE A 37 -2.244 -1.838 -1.730 1.00 32.21 H new ATOM 0 HG22 ILE A 37 -1.906 -0.516 -2.873 1.00 32.21 H new ATOM 0 HG23 ILE A 37 -3.469 -1.365 -2.931 1.00 32.21 H new ATOM 0 HD11 ILE A 37 -4.231 -5.057 -3.761 1.00 72.33 H new ATOM 0 HD12 ILE A 37 -4.494 -3.343 -3.362 1.00 72.33 H new ATOM 0 HD13 ILE A 37 -3.999 -3.807 -5.007 1.00 72.33 H new ATOM 604 N LYS A 38 -2.302 0.214 -5.995 1.00 1.32 N ATOM 605 CA LYS A 38 -1.976 1.596 -6.285 1.00 64.14 C ATOM 606 C LYS A 38 -2.373 2.433 -5.069 1.00 21.31 C ATOM 607 O LYS A 38 -3.559 2.640 -4.818 1.00 70.32 O ATOM 608 CB LYS A 38 -2.752 2.035 -7.552 1.00 5.10 C ATOM 609 CG LYS A 38 -2.610 1.056 -8.740 1.00 23.02 C ATOM 610 CD LYS A 38 -3.544 1.392 -9.920 1.00 22.04 C ATOM 611 CE LYS A 38 -3.274 2.776 -10.522 1.00 43.41 C ATOM 612 NZ LYS A 38 -1.864 2.920 -10.992 1.00 13.42 N ATOM 0 H LYS A 38 -3.253 -0.041 -6.260 1.00 1.32 H new ATOM 0 HA LYS A 38 -0.911 1.729 -6.477 1.00 64.14 H new ATOM 0 HB2 LYS A 38 -3.808 2.138 -7.303 1.00 5.10 H new ATOM 0 HB3 LYS A 38 -2.399 3.019 -7.860 1.00 5.10 H new ATOM 0 HG2 LYS A 38 -1.577 1.065 -9.089 1.00 23.02 H new ATOM 0 HG3 LYS A 38 -2.821 0.044 -8.395 1.00 23.02 H new ATOM 0 HD2 LYS A 38 -3.427 0.635 -10.696 1.00 22.04 H new ATOM 0 HD3 LYS A 38 -4.579 1.345 -9.582 1.00 22.04 H new ATOM 0 HE2 LYS A 38 -3.953 2.946 -11.358 1.00 43.41 H new ATOM 0 HE3 LYS A 38 -3.487 3.543 -9.777 1.00 43.41 H new ATOM 0 HZ1 LYS A 38 -1.845 3.485 -11.865 1.00 13.42 H new ATOM 0 HZ2 LYS A 38 -1.301 3.396 -10.259 1.00 13.42 H new ATOM 0 HZ3 LYS A 38 -1.463 1.979 -11.180 1.00 13.42 H new ATOM 626 N LEU A 39 -1.388 2.871 -4.294 1.00 23.12 N ATOM 627 CA LEU A 39 -1.619 3.675 -3.093 1.00 3.32 C ATOM 628 C LEU A 39 -1.233 5.113 -3.402 1.00 55.33 C ATOM 629 O LEU A 39 -0.136 5.376 -3.892 1.00 25.50 O ATOM 630 CB LEU A 39 -0.808 3.109 -1.896 1.00 71.22 C ATOM 631 CG LEU A 39 -0.827 3.946 -0.571 1.00 22.12 C ATOM 632 CD1 LEU A 39 -2.260 4.227 -0.087 1.00 44.22 C ATOM 633 CD2 LEU A 39 -0.003 3.234 0.513 1.00 24.21 C ATOM 0 H LEU A 39 -0.403 2.680 -4.478 1.00 23.12 H new ATOM 0 HA LEU A 39 -2.671 3.639 -2.808 1.00 3.32 H new ATOM 0 HB2 LEU A 39 -1.184 2.111 -1.673 1.00 71.22 H new ATOM 0 HB3 LEU A 39 0.229 2.996 -2.212 1.00 71.22 H new ATOM 0 HG LEU A 39 -0.372 4.914 -0.779 1.00 22.12 H new ATOM 0 HD11 LEU A 39 -2.225 4.809 0.834 1.00 44.22 H new ATOM 0 HD12 LEU A 39 -2.799 4.788 -0.851 1.00 44.22 H new ATOM 0 HD13 LEU A 39 -2.773 3.283 0.100 1.00 44.22 H new ATOM 0 HD21 LEU A 39 -0.022 3.823 1.430 1.00 24.21 H new ATOM 0 HD22 LEU A 39 -0.429 2.249 0.705 1.00 24.21 H new ATOM 0 HD23 LEU A 39 1.027 3.124 0.174 1.00 24.21 H new ATOM 645 N ASP A 40 -2.153 6.036 -3.151 1.00 53.25 N ATOM 646 CA ASP A 40 -1.906 7.461 -3.364 1.00 71.41 C ATOM 647 C ASP A 40 -1.467 8.078 -2.033 1.00 50.43 C ATOM 648 O ASP A 40 -2.242 8.102 -1.065 1.00 44.24 O ATOM 649 CB ASP A 40 -3.174 8.160 -3.914 1.00 43.42 C ATOM 650 CG ASP A 40 -2.895 9.589 -4.429 1.00 13.32 C ATOM 651 OD1 ASP A 40 -2.921 10.561 -3.632 1.00 44.25 O ATOM 652 OD2 ASP A 40 -2.646 9.748 -5.641 1.00 25.12 O ATOM 0 H ASP A 40 -3.085 5.823 -2.797 1.00 53.25 H new ATOM 0 HA ASP A 40 -1.118 7.596 -4.105 1.00 71.41 H new ATOM 0 HB2 ASP A 40 -3.590 7.562 -4.724 1.00 43.42 H new ATOM 0 HB3 ASP A 40 -3.929 8.203 -3.129 1.00 43.42 H new ATOM 657 N ALA A 41 -0.202 8.504 -1.977 1.00 43.40 N ATOM 658 CA ALA A 41 0.343 9.224 -0.819 1.00 50.04 C ATOM 659 C ALA A 41 0.040 10.719 -0.963 1.00 73.31 C ATOM 660 O ALA A 41 0.027 11.248 -2.088 1.00 24.22 O ATOM 661 CB ALA A 41 1.858 8.974 -0.700 1.00 31.14 C ATOM 0 H ALA A 41 0.472 8.361 -2.729 1.00 43.40 H new ATOM 0 HA ALA A 41 -0.127 8.858 0.094 1.00 50.04 H new ATOM 0 HB1 ALA A 41 2.249 9.514 0.163 1.00 31.14 H new ATOM 0 HB2 ALA A 41 2.042 7.907 -0.574 1.00 31.14 H new ATOM 0 HB3 ALA A 41 2.357 9.324 -1.604 1.00 31.14 H new ATOM 667 N GLN A 42 -0.244 11.376 0.173 1.00 21.00 N ATOM 668 CA GLN A 42 -0.415 12.839 0.232 1.00 74.11 C ATOM 669 C GLN A 42 0.924 13.544 -0.042 1.00 13.01 C ATOM 670 O GLN A 42 0.961 14.599 -0.683 1.00 31.54 O ATOM 671 CB GLN A 42 -0.985 13.263 1.614 1.00 11.11 C ATOM 672 CG GLN A 42 -1.136 14.795 1.815 1.00 25.14 C ATOM 673 CD GLN A 42 -2.030 15.484 0.768 1.00 12.11 C ATOM 674 OE1 GLN A 42 -3.014 14.911 0.284 1.00 63.45 O ATOM 675 NE2 GLN A 42 -1.692 16.713 0.402 1.00 24.22 N ATOM 0 H GLN A 42 -0.361 10.912 1.074 1.00 21.00 H new ATOM 0 HA GLN A 42 -1.126 13.139 -0.538 1.00 74.11 H new ATOM 0 HB2 GLN A 42 -1.961 12.796 1.748 1.00 11.11 H new ATOM 0 HB3 GLN A 42 -0.334 12.871 2.395 1.00 11.11 H new ATOM 0 HG2 GLN A 42 -1.548 14.981 2.807 1.00 25.14 H new ATOM 0 HG3 GLN A 42 -0.147 15.253 1.790 1.00 25.14 H new ATOM 0 HE21 GLN A 42 -0.876 17.162 0.817 1.00 24.22 H new ATOM 0 HE22 GLN A 42 -2.248 17.209 -0.294 1.00 24.22 H new ATOM 684 N THR A 43 2.015 12.939 0.440 1.00 45.34 N ATOM 685 CA THR A 43 3.374 13.461 0.255 1.00 50.34 C ATOM 686 C THR A 43 4.389 12.299 0.278 1.00 54.24 C ATOM 687 O THR A 43 4.054 11.185 0.723 1.00 25.35 O ATOM 688 CB THR A 43 3.713 14.549 1.339 1.00 71.21 C ATOM 689 OG1 THR A 43 4.958 15.184 1.037 1.00 23.21 O ATOM 690 CG2 THR A 43 3.763 13.974 2.770 1.00 24.25 C ATOM 0 H THR A 43 1.980 12.069 0.972 1.00 45.34 H new ATOM 0 HA THR A 43 3.436 13.949 -0.717 1.00 50.34 H new ATOM 0 HB THR A 43 2.904 15.279 1.307 1.00 71.21 H new ATOM 0 HG1 THR A 43 5.155 15.860 1.719 1.00 23.21 H new ATOM 0 HG21 THR A 43 4.001 14.771 3.474 1.00 24.25 H new ATOM 0 HG22 THR A 43 2.794 13.543 3.023 1.00 24.25 H new ATOM 0 HG23 THR A 43 4.529 13.201 2.825 1.00 24.25 H new ATOM 698 N GLU A 44 5.622 12.569 -0.209 1.00 11.13 N ATOM 699 CA GLU A 44 6.703 11.566 -0.297 1.00 14.15 C ATOM 700 C GLU A 44 7.084 11.047 1.091 1.00 24.42 C ATOM 701 O GLU A 44 7.357 9.853 1.261 1.00 41.25 O ATOM 702 CB GLU A 44 7.953 12.160 -0.985 1.00 60.14 C ATOM 703 CG GLU A 44 9.107 11.147 -1.178 1.00 62.11 C ATOM 704 CD GLU A 44 10.360 11.775 -1.790 1.00 33.01 C ATOM 705 OE1 GLU A 44 10.404 11.943 -3.022 1.00 41.03 O ATOM 706 OE2 GLU A 44 11.301 12.106 -1.041 1.00 63.40 O ATOM 0 H GLU A 44 5.894 13.490 -0.552 1.00 11.13 H new ATOM 0 HA GLU A 44 6.329 10.735 -0.895 1.00 14.15 H new ATOM 0 HB2 GLU A 44 7.665 12.557 -1.959 1.00 60.14 H new ATOM 0 HB3 GLU A 44 8.316 13.000 -0.393 1.00 60.14 H new ATOM 0 HG2 GLU A 44 9.362 10.708 -0.214 1.00 62.11 H new ATOM 0 HG3 GLU A 44 8.765 10.334 -1.818 1.00 62.11 H new ATOM 713 N LYS A 45 7.083 11.964 2.075 1.00 60.11 N ATOM 714 CA LYS A 45 7.411 11.642 3.464 1.00 52.14 C ATOM 715 C LYS A 45 6.415 10.628 4.037 1.00 35.33 C ATOM 716 O LYS A 45 6.814 9.690 4.720 1.00 72.33 O ATOM 717 CB LYS A 45 7.449 12.928 4.333 1.00 73.24 C ATOM 718 CG LYS A 45 7.835 12.711 5.824 1.00 71.03 C ATOM 719 CD LYS A 45 9.187 11.987 6.018 1.00 53.34 C ATOM 720 CE LYS A 45 10.372 12.745 5.405 1.00 61.24 C ATOM 721 NZ LYS A 45 11.618 11.940 5.477 1.00 1.01 N ATOM 0 H LYS A 45 6.854 12.946 1.924 1.00 60.11 H new ATOM 0 HA LYS A 45 8.403 11.190 3.482 1.00 52.14 H new ATOM 0 HB2 LYS A 45 8.159 13.626 3.889 1.00 73.24 H new ATOM 0 HB3 LYS A 45 6.468 13.402 4.294 1.00 73.24 H new ATOM 0 HG2 LYS A 45 7.876 13.679 6.324 1.00 71.03 H new ATOM 0 HG3 LYS A 45 7.050 12.133 6.313 1.00 71.03 H new ATOM 0 HD2 LYS A 45 9.367 11.846 7.084 1.00 53.34 H new ATOM 0 HD3 LYS A 45 9.128 10.995 5.571 1.00 53.34 H new ATOM 0 HE2 LYS A 45 10.153 12.989 4.366 1.00 61.24 H new ATOM 0 HE3 LYS A 45 10.515 13.689 5.931 1.00 61.24 H new ATOM 0 HZ1 LYS A 45 12.243 12.196 4.686 1.00 1.01 H new ATOM 0 HZ2 LYS A 45 12.103 12.131 6.377 1.00 1.01 H new ATOM 0 HZ3 LYS A 45 11.382 10.929 5.419 1.00 1.01 H new ATOM 735 N GLU A 46 5.127 10.804 3.696 1.00 11.44 N ATOM 736 CA GLU A 46 4.044 9.924 4.164 1.00 12.41 C ATOM 737 C GLU A 46 4.170 8.527 3.524 1.00 5.31 C ATOM 738 O GLU A 46 3.814 7.518 4.136 1.00 53.22 O ATOM 739 CB GLU A 46 2.654 10.549 3.847 1.00 24.04 C ATOM 740 CG GLU A 46 1.549 10.177 4.859 1.00 34.11 C ATOM 741 CD GLU A 46 1.835 10.715 6.278 1.00 12.24 C ATOM 742 OE1 GLU A 46 1.639 11.930 6.502 1.00 0.45 O ATOM 743 OE2 GLU A 46 2.282 9.944 7.162 1.00 15.23 O ATOM 0 H GLU A 46 4.808 11.559 3.089 1.00 11.44 H new ATOM 0 HA GLU A 46 4.131 9.816 5.245 1.00 12.41 H new ATOM 0 HB2 GLU A 46 2.754 11.634 3.817 1.00 24.04 H new ATOM 0 HB3 GLU A 46 2.343 10.230 2.852 1.00 24.04 H new ATOM 0 HG2 GLU A 46 0.595 10.572 4.510 1.00 34.11 H new ATOM 0 HG3 GLU A 46 1.449 9.092 4.899 1.00 34.11 H new ATOM 750 N ALA A 47 4.745 8.503 2.305 1.00 74.41 N ATOM 751 CA ALA A 47 4.937 7.276 1.522 1.00 52.03 C ATOM 752 C ALA A 47 5.976 6.352 2.175 1.00 51.01 C ATOM 753 O ALA A 47 5.941 5.142 1.960 1.00 24.21 O ATOM 754 CB ALA A 47 5.354 7.624 0.092 1.00 14.22 C ATOM 0 H ALA A 47 5.090 9.342 1.838 1.00 74.41 H new ATOM 0 HA ALA A 47 3.988 6.740 1.495 1.00 52.03 H new ATOM 0 HB1 ALA A 47 5.494 6.707 -0.480 1.00 14.22 H new ATOM 0 HB2 ALA A 47 4.578 8.229 -0.376 1.00 14.22 H new ATOM 0 HB3 ALA A 47 6.288 8.185 0.112 1.00 14.22 H new ATOM 760 N GLU A 48 6.886 6.948 2.975 1.00 25.30 N ATOM 761 CA GLU A 48 7.966 6.225 3.676 1.00 33.01 C ATOM 762 C GLU A 48 7.427 5.347 4.828 1.00 54.32 C ATOM 763 O GLU A 48 7.969 4.270 5.100 1.00 71.23 O ATOM 764 CB GLU A 48 9.003 7.241 4.212 1.00 1.22 C ATOM 765 CG GLU A 48 9.723 8.039 3.102 1.00 55.42 C ATOM 766 CD GLU A 48 10.607 9.182 3.623 1.00 63.34 C ATOM 767 OE1 GLU A 48 11.366 8.971 4.599 1.00 22.33 O ATOM 768 OE2 GLU A 48 10.555 10.303 3.061 1.00 71.12 O ATOM 0 H GLU A 48 6.891 7.952 3.153 1.00 25.30 H new ATOM 0 HA GLU A 48 8.442 5.554 2.960 1.00 33.01 H new ATOM 0 HB2 GLU A 48 8.501 7.939 4.882 1.00 1.22 H new ATOM 0 HB3 GLU A 48 9.747 6.709 4.805 1.00 1.22 H new ATOM 0 HG2 GLU A 48 10.339 7.355 2.519 1.00 55.42 H new ATOM 0 HG3 GLU A 48 8.976 8.452 2.424 1.00 55.42 H new ATOM 775 N LYS A 49 6.367 5.826 5.505 1.00 12.22 N ATOM 776 CA LYS A 49 5.709 5.057 6.589 1.00 34.03 C ATOM 777 C LYS A 49 4.770 4.017 5.933 1.00 0.11 C ATOM 778 O LYS A 49 4.792 2.837 6.277 1.00 31.33 O ATOM 779 CB LYS A 49 4.858 5.938 7.567 1.00 72.02 C ATOM 780 CG LYS A 49 5.519 7.176 8.212 1.00 62.11 C ATOM 781 CD LYS A 49 5.580 8.379 7.257 1.00 30.34 C ATOM 782 CE LYS A 49 5.964 9.699 7.945 1.00 55.44 C ATOM 783 NZ LYS A 49 4.852 10.219 8.792 1.00 71.34 N ATOM 0 H LYS A 49 5.946 6.737 5.325 1.00 12.22 H new ATOM 0 HA LYS A 49 6.500 4.600 7.184 1.00 34.03 H new ATOM 0 HB2 LYS A 49 3.977 6.279 7.024 1.00 72.02 H new ATOM 0 HB3 LYS A 49 4.506 5.293 8.372 1.00 72.02 H new ATOM 0 HG2 LYS A 49 4.963 7.455 9.107 1.00 62.11 H new ATOM 0 HG3 LYS A 49 6.529 6.919 8.531 1.00 62.11 H new ATOM 0 HD2 LYS A 49 6.302 8.168 6.468 1.00 30.34 H new ATOM 0 HD3 LYS A 49 4.609 8.499 6.777 1.00 30.34 H new ATOM 0 HE2 LYS A 49 6.850 9.545 8.561 1.00 55.44 H new ATOM 0 HE3 LYS A 49 6.225 10.441 7.190 1.00 55.44 H new ATOM 0 HZ1 LYS A 49 5.036 11.214 9.034 1.00 71.34 H new ATOM 0 HZ2 LYS A 49 3.956 10.150 8.269 1.00 71.34 H new ATOM 0 HZ3 LYS A 49 4.788 9.657 9.665 1.00 71.34 H new ATOM 797 N MET A 50 3.906 4.543 5.030 1.00 11.03 N ATOM 798 CA MET A 50 2.947 3.749 4.220 1.00 51.00 C ATOM 799 C MET A 50 3.569 2.451 3.650 1.00 11.32 C ATOM 800 O MET A 50 3.074 1.352 3.931 1.00 51.44 O ATOM 801 CB MET A 50 2.338 4.609 3.074 1.00 43.22 C ATOM 802 CG MET A 50 1.311 5.659 3.521 1.00 41.52 C ATOM 803 SD MET A 50 0.669 6.619 2.133 1.00 33.04 S ATOM 804 CE MET A 50 -0.582 7.612 2.938 1.00 43.23 C ATOM 0 H MET A 50 3.855 5.544 4.841 1.00 11.03 H new ATOM 0 HA MET A 50 2.150 3.447 4.899 1.00 51.00 H new ATOM 0 HB2 MET A 50 3.149 5.116 2.552 1.00 43.22 H new ATOM 0 HB3 MET A 50 1.863 3.943 2.354 1.00 43.22 H new ATOM 0 HG2 MET A 50 0.485 5.163 4.030 1.00 41.52 H new ATOM 0 HG3 MET A 50 1.773 6.332 4.243 1.00 41.52 H new ATOM 0 HE1 MET A 50 -1.423 7.757 2.260 1.00 43.23 H new ATOM 0 HE2 MET A 50 -0.925 7.104 3.839 1.00 43.23 H new ATOM 0 HE3 MET A 50 -0.161 8.581 3.205 1.00 43.23 H new ATOM 814 N GLU A 51 4.659 2.594 2.873 1.00 43.02 N ATOM 815 CA GLU A 51 5.353 1.454 2.219 1.00 33.24 C ATOM 816 C GLU A 51 5.897 0.428 3.254 1.00 24.41 C ATOM 817 O GLU A 51 5.979 -0.774 2.984 1.00 43.13 O ATOM 818 CB GLU A 51 6.501 1.995 1.326 1.00 74.42 C ATOM 819 CG GLU A 51 7.764 2.461 2.081 1.00 55.15 C ATOM 820 CD GLU A 51 8.885 2.940 1.153 1.00 74.04 C ATOM 821 OE1 GLU A 51 9.219 2.216 0.190 1.00 1.11 O ATOM 822 OE2 GLU A 51 9.431 4.051 1.356 1.00 43.33 O ATOM 0 H GLU A 51 5.088 3.499 2.677 1.00 43.02 H new ATOM 0 HA GLU A 51 4.628 0.923 1.602 1.00 33.24 H new ATOM 0 HB2 GLU A 51 6.787 1.215 0.620 1.00 74.42 H new ATOM 0 HB3 GLU A 51 6.119 2.831 0.740 1.00 74.42 H new ATOM 0 HG2 GLU A 51 7.495 3.269 2.761 1.00 55.15 H new ATOM 0 HG3 GLU A 51 8.136 1.640 2.694 1.00 55.15 H new ATOM 829 N LYS A 52 6.248 0.944 4.440 1.00 21.34 N ATOM 830 CA LYS A 52 6.768 0.150 5.568 1.00 70.32 C ATOM 831 C LYS A 52 5.617 -0.629 6.249 1.00 65.45 C ATOM 832 O LYS A 52 5.804 -1.762 6.708 1.00 51.12 O ATOM 833 CB LYS A 52 7.517 1.076 6.568 1.00 62.21 C ATOM 834 CG LYS A 52 8.133 0.347 7.785 1.00 22.14 C ATOM 835 CD LYS A 52 8.905 1.287 8.738 1.00 42.44 C ATOM 836 CE LYS A 52 10.127 1.949 8.077 1.00 53.22 C ATOM 837 NZ LYS A 52 10.920 2.753 9.046 1.00 0.20 N ATOM 0 H LYS A 52 6.179 1.940 4.648 1.00 21.34 H new ATOM 0 HA LYS A 52 7.484 -0.584 5.198 1.00 70.32 H new ATOM 0 HB2 LYS A 52 8.311 1.598 6.034 1.00 62.21 H new ATOM 0 HB3 LYS A 52 6.823 1.835 6.929 1.00 62.21 H new ATOM 0 HG2 LYS A 52 7.338 -0.150 8.342 1.00 22.14 H new ATOM 0 HG3 LYS A 52 8.808 -0.432 7.429 1.00 22.14 H new ATOM 0 HD2 LYS A 52 8.230 2.063 9.098 1.00 42.44 H new ATOM 0 HD3 LYS A 52 9.234 0.721 9.609 1.00 42.44 H new ATOM 0 HE2 LYS A 52 10.763 1.180 7.639 1.00 53.22 H new ATOM 0 HE3 LYS A 52 9.794 2.590 7.261 1.00 53.22 H new ATOM 0 HZ1 LYS A 52 11.733 3.181 8.559 1.00 0.20 H new ATOM 0 HZ2 LYS A 52 10.322 3.504 9.446 1.00 0.20 H new ATOM 0 HZ3 LYS A 52 11.260 2.137 9.812 1.00 0.20 H new ATOM 851 N ALA A 53 4.415 -0.021 6.272 1.00 72.12 N ATOM 852 CA ALA A 53 3.193 -0.674 6.787 1.00 44.21 C ATOM 853 C ALA A 53 2.742 -1.809 5.847 1.00 54.31 C ATOM 854 O ALA A 53 2.215 -2.829 6.297 1.00 42.43 O ATOM 855 CB ALA A 53 2.081 0.361 7.000 1.00 23.35 C ATOM 0 H ALA A 53 4.263 0.930 5.937 1.00 72.12 H new ATOM 0 HA ALA A 53 3.418 -1.123 7.754 1.00 44.21 H new ATOM 0 HB1 ALA A 53 1.189 -0.137 7.379 1.00 23.35 H new ATOM 0 HB2 ALA A 53 2.413 1.109 7.720 1.00 23.35 H new ATOM 0 HB3 ALA A 53 1.850 0.847 6.052 1.00 23.35 H new ATOM 861 N VAL A 54 2.987 -1.619 4.546 1.00 3.03 N ATOM 862 CA VAL A 54 2.791 -2.666 3.529 1.00 75.21 C ATOM 863 C VAL A 54 3.749 -3.856 3.799 1.00 61.53 C ATOM 864 O VAL A 54 3.343 -5.028 3.768 1.00 34.12 O ATOM 865 CB VAL A 54 3.053 -2.089 2.096 1.00 73.43 C ATOM 866 CG1 VAL A 54 2.959 -3.179 1.019 1.00 62.41 C ATOM 867 CG2 VAL A 54 2.096 -0.920 1.777 1.00 72.35 C ATOM 0 H VAL A 54 3.327 -0.736 4.165 1.00 3.03 H new ATOM 0 HA VAL A 54 1.760 -3.016 3.585 1.00 75.21 H new ATOM 0 HB VAL A 54 4.072 -1.703 2.088 1.00 73.43 H new ATOM 0 HG11 VAL A 54 3.147 -2.740 0.039 1.00 62.41 H new ATOM 0 HG12 VAL A 54 3.701 -3.952 1.218 1.00 62.41 H new ATOM 0 HG13 VAL A 54 1.962 -3.620 1.034 1.00 62.41 H new ATOM 0 HG21 VAL A 54 2.304 -0.542 0.776 1.00 72.35 H new ATOM 0 HG22 VAL A 54 1.065 -1.270 1.826 1.00 72.35 H new ATOM 0 HG23 VAL A 54 2.243 -0.121 2.504 1.00 72.35 H new ATOM 877 N LYS A 55 5.022 -3.514 4.084 1.00 12.24 N ATOM 878 CA LYS A 55 6.099 -4.489 4.356 1.00 1.34 C ATOM 879 C LYS A 55 5.846 -5.354 5.611 1.00 62.44 C ATOM 880 O LYS A 55 6.501 -6.392 5.774 1.00 43.33 O ATOM 881 CB LYS A 55 7.472 -3.772 4.454 1.00 20.24 C ATOM 882 CG LYS A 55 8.059 -3.328 3.101 1.00 34.34 C ATOM 883 CD LYS A 55 9.397 -2.575 3.266 1.00 32.03 C ATOM 884 CE LYS A 55 10.151 -2.420 1.940 1.00 25.01 C ATOM 885 NZ LYS A 55 10.531 -3.745 1.365 1.00 4.22 N ATOM 0 H LYS A 55 5.335 -2.544 4.132 1.00 12.24 H new ATOM 0 HA LYS A 55 6.109 -5.176 3.510 1.00 1.34 H new ATOM 0 HB2 LYS A 55 7.365 -2.896 5.094 1.00 20.24 H new ATOM 0 HB3 LYS A 55 8.182 -4.439 4.942 1.00 20.24 H new ATOM 0 HG2 LYS A 55 8.211 -4.202 2.468 1.00 34.34 H new ATOM 0 HG3 LYS A 55 7.343 -2.685 2.589 1.00 34.34 H new ATOM 0 HD2 LYS A 55 9.205 -1.589 3.689 1.00 32.03 H new ATOM 0 HD3 LYS A 55 10.026 -3.110 3.977 1.00 32.03 H new ATOM 0 HE2 LYS A 55 9.528 -1.879 1.228 1.00 25.01 H new ATOM 0 HE3 LYS A 55 11.048 -1.821 2.099 1.00 25.01 H new ATOM 0 HZ1 LYS A 55 11.564 -3.793 1.256 1.00 4.22 H new ATOM 0 HZ2 LYS A 55 10.214 -4.504 2.002 1.00 4.22 H new ATOM 0 HZ3 LYS A 55 10.079 -3.862 0.436 1.00 4.22 H new ATOM 899 N LYS A 56 4.913 -4.933 6.486 1.00 64.14 N ATOM 900 CA LYS A 56 4.485 -5.747 7.645 1.00 32.52 C ATOM 901 C LYS A 56 3.873 -7.073 7.155 1.00 34.41 C ATOM 902 O LYS A 56 4.217 -8.156 7.640 1.00 1.41 O ATOM 903 CB LYS A 56 3.433 -4.997 8.510 1.00 62.20 C ATOM 904 CG LYS A 56 3.911 -3.681 9.147 1.00 0.31 C ATOM 905 CD LYS A 56 2.796 -3.037 9.999 1.00 12.24 C ATOM 906 CE LYS A 56 3.186 -1.679 10.573 1.00 60.21 C ATOM 907 NZ LYS A 56 2.067 -1.065 11.336 1.00 0.22 N ATOM 0 H LYS A 56 4.439 -4.033 6.414 1.00 64.14 H new ATOM 0 HA LYS A 56 5.366 -5.940 8.257 1.00 32.52 H new ATOM 0 HB2 LYS A 56 2.564 -4.784 7.888 1.00 62.20 H new ATOM 0 HB3 LYS A 56 3.100 -5.665 9.305 1.00 62.20 H new ATOM 0 HG2 LYS A 56 4.785 -3.872 9.770 1.00 0.31 H new ATOM 0 HG3 LYS A 56 4.222 -2.987 8.366 1.00 0.31 H new ATOM 0 HD2 LYS A 56 1.901 -2.922 9.387 1.00 12.24 H new ATOM 0 HD3 LYS A 56 2.539 -3.710 10.817 1.00 12.24 H new ATOM 0 HE2 LYS A 56 4.052 -1.794 11.225 1.00 60.21 H new ATOM 0 HE3 LYS A 56 3.483 -1.013 9.763 1.00 60.21 H new ATOM 0 HZ1 LYS A 56 2.274 -0.060 11.508 1.00 0.22 H new ATOM 0 HZ2 LYS A 56 1.187 -1.148 10.789 1.00 0.22 H new ATOM 0 HZ3 LYS A 56 1.957 -1.556 12.246 1.00 0.22 H new ATOM 921 N VAL A 57 2.983 -6.955 6.161 1.00 72.30 N ATOM 922 CA VAL A 57 2.221 -8.085 5.613 1.00 25.55 C ATOM 923 C VAL A 57 3.059 -8.870 4.580 1.00 3.41 C ATOM 924 O VAL A 57 2.840 -10.070 4.367 1.00 53.43 O ATOM 925 CB VAL A 57 0.893 -7.582 4.943 1.00 42.33 C ATOM 926 CG1 VAL A 57 -0.009 -8.763 4.540 1.00 70.31 C ATOM 927 CG2 VAL A 57 0.135 -6.603 5.865 1.00 62.34 C ATOM 0 H VAL A 57 2.770 -6.065 5.711 1.00 72.30 H new ATOM 0 HA VAL A 57 1.974 -8.751 6.440 1.00 25.55 H new ATOM 0 HB VAL A 57 1.168 -7.043 4.036 1.00 42.33 H new ATOM 0 HG11 VAL A 57 -0.921 -8.384 4.079 1.00 70.31 H new ATOM 0 HG12 VAL A 57 0.520 -9.399 3.830 1.00 70.31 H new ATOM 0 HG13 VAL A 57 -0.265 -9.344 5.426 1.00 70.31 H new ATOM 0 HG21 VAL A 57 -0.780 -6.273 5.372 1.00 62.34 H new ATOM 0 HG22 VAL A 57 -0.117 -7.104 6.799 1.00 62.34 H new ATOM 0 HG23 VAL A 57 0.766 -5.739 6.075 1.00 62.34 H new ATOM 937 N LYS A 58 4.044 -8.181 3.970 1.00 22.12 N ATOM 938 CA LYS A 58 4.871 -8.754 2.895 1.00 15.41 C ATOM 939 C LYS A 58 6.262 -8.051 2.859 1.00 43.22 C ATOM 940 O LYS A 58 6.394 -6.961 2.289 1.00 12.14 O ATOM 941 CB LYS A 58 4.105 -8.711 1.536 1.00 44.24 C ATOM 942 CG LYS A 58 3.595 -7.325 1.063 1.00 71.01 C ATOM 943 CD LYS A 58 2.549 -7.436 -0.078 1.00 13.01 C ATOM 944 CE LYS A 58 3.020 -8.309 -1.254 1.00 5.12 C ATOM 945 NZ LYS A 58 4.184 -7.713 -1.965 1.00 51.15 N ATOM 0 H LYS A 58 4.286 -7.219 4.208 1.00 22.12 H new ATOM 0 HA LYS A 58 5.066 -9.808 3.094 1.00 15.41 H new ATOM 0 HB2 LYS A 58 4.761 -9.113 0.764 1.00 44.24 H new ATOM 0 HB3 LYS A 58 3.249 -9.382 1.608 1.00 44.24 H new ATOM 0 HG2 LYS A 58 3.153 -6.796 1.907 1.00 71.01 H new ATOM 0 HG3 LYS A 58 4.440 -6.728 0.720 1.00 71.01 H new ATOM 0 HD2 LYS A 58 1.625 -7.850 0.325 1.00 13.01 H new ATOM 0 HD3 LYS A 58 2.317 -6.437 -0.447 1.00 13.01 H new ATOM 0 HE2 LYS A 58 3.290 -9.298 -0.885 1.00 5.12 H new ATOM 0 HE3 LYS A 58 2.198 -8.444 -1.956 1.00 5.12 H new ATOM 0 HZ1 LYS A 58 4.771 -8.472 -2.367 1.00 51.15 H new ATOM 0 HZ2 LYS A 58 3.845 -7.096 -2.730 1.00 51.15 H new ATOM 0 HZ3 LYS A 58 4.751 -7.154 -1.296 1.00 51.15 H new ATOM 959 N PRO A 59 7.326 -8.679 3.476 1.00 52.12 N ATOM 960 CA PRO A 59 8.683 -8.064 3.628 1.00 73.23 C ATOM 961 C PRO A 59 9.312 -7.579 2.304 1.00 51.42 C ATOM 962 O PRO A 59 9.814 -6.449 2.217 1.00 13.21 O ATOM 963 CB PRO A 59 9.531 -9.211 4.255 1.00 5.43 C ATOM 964 CG PRO A 59 8.529 -10.083 4.952 1.00 52.22 C ATOM 965 CD PRO A 59 7.280 -10.034 4.095 1.00 60.14 C ATOM 0 HA PRO A 59 8.634 -7.159 4.233 1.00 73.23 H new ATOM 0 HB2 PRO A 59 10.075 -9.765 3.490 1.00 5.43 H new ATOM 0 HB3 PRO A 59 10.271 -8.821 4.954 1.00 5.43 H new ATOM 0 HG2 PRO A 59 8.898 -11.104 5.049 1.00 52.22 H new ATOM 0 HG3 PRO A 59 8.327 -9.720 5.960 1.00 52.22 H new ATOM 0 HD2 PRO A 59 7.283 -10.819 3.339 1.00 60.14 H new ATOM 0 HD3 PRO A 59 6.379 -10.170 4.693 1.00 60.14 H new ATOM 973 N ASN A 60 9.207 -8.424 1.275 1.00 42.20 N ATOM 974 CA ASN A 60 9.891 -8.222 -0.028 1.00 23.53 C ATOM 975 C ASN A 60 9.045 -7.371 -0.994 1.00 54.00 C ATOM 976 O ASN A 60 9.249 -7.444 -2.212 1.00 4.31 O ATOM 977 CB ASN A 60 10.191 -9.601 -0.669 1.00 2.05 C ATOM 978 CG ASN A 60 11.033 -10.515 0.216 1.00 21.43 C ATOM 979 OD1 ASN A 60 10.494 -11.261 1.037 1.00 70.11 O ATOM 980 ND2 ASN A 60 12.350 -10.493 0.047 1.00 55.03 N ATOM 0 H ASN A 60 8.645 -9.275 1.311 1.00 42.20 H new ATOM 0 HA ASN A 60 10.820 -7.683 0.158 1.00 23.53 H new ATOM 0 HB2 ASN A 60 9.249 -10.098 -0.898 1.00 2.05 H new ATOM 0 HB3 ASN A 60 10.709 -9.447 -1.616 1.00 2.05 H new ATOM 0 HD21 ASN A 60 12.946 -11.105 0.605 1.00 55.03 H new ATOM 0 HD22 ASN A 60 12.766 -9.864 -0.640 1.00 55.03 H new ATOM 987 N ALA A 61 8.098 -6.576 -0.452 1.00 71.53 N ATOM 988 CA ALA A 61 7.186 -5.751 -1.256 1.00 63.34 C ATOM 989 C ALA A 61 7.963 -4.829 -2.228 1.00 41.42 C ATOM 990 O ALA A 61 8.705 -3.933 -1.798 1.00 12.11 O ATOM 991 CB ALA A 61 6.279 -4.926 -0.322 1.00 4.15 C ATOM 0 H ALA A 61 7.948 -6.492 0.553 1.00 71.53 H new ATOM 0 HA ALA A 61 6.567 -6.410 -1.865 1.00 63.34 H new ATOM 0 HB1 ALA A 61 5.603 -4.314 -0.919 1.00 4.15 H new ATOM 0 HB2 ALA A 61 5.698 -5.599 0.309 1.00 4.15 H new ATOM 0 HB3 ALA A 61 6.894 -4.281 0.305 1.00 4.15 H new ATOM 997 N THR A 62 7.802 -5.096 -3.531 1.00 25.12 N ATOM 998 CA THR A 62 8.357 -4.282 -4.608 1.00 21.21 C ATOM 999 C THR A 62 7.468 -3.042 -4.793 1.00 34.30 C ATOM 1000 O THR A 62 6.362 -3.124 -5.339 1.00 5.01 O ATOM 1001 CB THR A 62 8.437 -5.104 -5.928 1.00 61.14 C ATOM 1002 OG1 THR A 62 9.156 -6.330 -5.691 1.00 34.01 O ATOM 1003 CG2 THR A 62 9.123 -4.331 -7.064 1.00 61.40 C ATOM 0 H THR A 62 7.272 -5.900 -3.867 1.00 25.12 H new ATOM 0 HA THR A 62 9.370 -3.971 -4.351 1.00 21.21 H new ATOM 0 HB THR A 62 7.413 -5.311 -6.240 1.00 61.14 H new ATOM 0 HG1 THR A 62 9.204 -6.847 -6.522 1.00 34.01 H new ATOM 0 HG21 THR A 62 9.152 -4.951 -7.960 1.00 61.40 H new ATOM 0 HG22 THR A 62 8.565 -3.418 -7.272 1.00 61.40 H new ATOM 0 HG23 THR A 62 10.140 -4.075 -6.767 1.00 61.40 H new ATOM 1011 N ILE A 63 7.961 -1.909 -4.290 1.00 20.43 N ATOM 1012 CA ILE A 63 7.215 -0.654 -4.213 1.00 32.32 C ATOM 1013 C ILE A 63 7.844 0.359 -5.173 1.00 31.03 C ATOM 1014 O ILE A 63 9.018 0.709 -5.038 1.00 61.42 O ATOM 1015 CB ILE A 63 7.220 -0.149 -2.721 1.00 11.23 C ATOM 1016 CG1 ILE A 63 6.593 -1.268 -1.816 1.00 51.24 C ATOM 1017 CG2 ILE A 63 6.483 1.213 -2.576 1.00 75.41 C ATOM 1018 CD1 ILE A 63 6.806 -1.117 -0.331 1.00 12.24 C ATOM 0 H ILE A 63 8.908 -1.838 -3.918 1.00 20.43 H new ATOM 0 HA ILE A 63 6.177 -0.793 -4.513 1.00 32.32 H new ATOM 0 HB ILE A 63 8.244 0.035 -2.397 1.00 11.23 H new ATOM 0 HG12 ILE A 63 5.520 -1.303 -2.007 1.00 51.24 H new ATOM 0 HG13 ILE A 63 7.003 -2.229 -2.125 1.00 51.24 H new ATOM 0 HG21 ILE A 63 6.506 1.530 -1.533 1.00 75.41 H new ATOM 0 HG22 ILE A 63 6.978 1.962 -3.194 1.00 75.41 H new ATOM 0 HG23 ILE A 63 5.448 1.103 -2.898 1.00 75.41 H new ATOM 0 HD11 ILE A 63 6.329 -1.947 0.191 1.00 12.24 H new ATOM 0 HD12 ILE A 63 7.874 -1.118 -0.115 1.00 12.24 H new ATOM 0 HD13 ILE A 63 6.369 -0.177 0.006 1.00 12.24 H new ATOM 1030 N ARG A 64 7.058 0.776 -6.170 1.00 52.01 N ATOM 1031 CA ARG A 64 7.506 1.691 -7.225 1.00 22.03 C ATOM 1032 C ARG A 64 6.848 3.055 -6.994 1.00 50.43 C ATOM 1033 O ARG A 64 5.619 3.152 -6.962 1.00 1.34 O ATOM 1034 CB ARG A 64 7.127 1.125 -8.622 1.00 53.24 C ATOM 1035 CG ARG A 64 7.655 -0.300 -8.938 1.00 54.03 C ATOM 1036 CD ARG A 64 9.190 -0.433 -9.067 1.00 75.00 C ATOM 1037 NE ARG A 64 9.878 -0.455 -7.759 1.00 75.43 N ATOM 1038 CZ ARG A 64 10.962 -1.196 -7.453 1.00 62.03 C ATOM 1039 NH1 ARG A 64 11.526 -2.002 -8.356 1.00 22.52 N ATOM 1040 NH2 ARG A 64 11.464 -1.143 -6.229 1.00 43.31 N ATOM 0 H ARG A 64 6.085 0.486 -6.269 1.00 52.01 H new ATOM 0 HA ARG A 64 8.590 1.799 -7.193 1.00 22.03 H new ATOM 0 HB2 ARG A 64 6.040 1.117 -8.707 1.00 53.24 H new ATOM 0 HB3 ARG A 64 7.502 1.808 -9.384 1.00 53.24 H new ATOM 0 HG2 ARG A 64 7.315 -0.976 -8.153 1.00 54.03 H new ATOM 0 HG3 ARG A 64 7.200 -0.638 -9.869 1.00 54.03 H new ATOM 0 HD2 ARG A 64 9.426 -1.348 -9.611 1.00 75.00 H new ATOM 0 HD3 ARG A 64 9.573 0.398 -9.659 1.00 75.00 H new ATOM 0 HE ARG A 64 9.500 0.142 -7.024 1.00 75.43 H new ATOM 0 HH11 ARG A 64 11.137 -2.065 -9.297 1.00 22.52 H new ATOM 0 HH12 ARG A 64 12.346 -2.555 -8.105 1.00 22.52 H new ATOM 0 HH21 ARG A 64 11.031 -0.545 -5.526 1.00 43.31 H new ATOM 0 HH22 ARG A 64 12.284 -1.701 -5.989 1.00 43.31 H new ATOM 1054 N LYS A 65 7.669 4.095 -6.837 1.00 11.24 N ATOM 1055 CA LYS A 65 7.181 5.450 -6.555 1.00 44.32 C ATOM 1056 C LYS A 65 7.266 6.279 -7.848 1.00 24.10 C ATOM 1057 O LYS A 65 8.362 6.665 -8.271 1.00 54.14 O ATOM 1058 CB LYS A 65 8.033 6.120 -5.440 1.00 30.33 C ATOM 1059 CG LYS A 65 8.008 5.440 -4.053 1.00 21.34 C ATOM 1060 CD LYS A 65 8.652 6.342 -2.969 1.00 71.03 C ATOM 1061 CE LYS A 65 8.692 5.691 -1.582 1.00 21.45 C ATOM 1062 NZ LYS A 65 9.531 4.464 -1.583 1.00 64.02 N ATOM 0 H LYS A 65 8.685 4.025 -6.901 1.00 11.24 H new ATOM 0 HA LYS A 65 6.149 5.399 -6.207 1.00 44.32 H new ATOM 0 HB2 LYS A 65 9.068 6.163 -5.780 1.00 30.33 H new ATOM 0 HB3 LYS A 65 7.693 7.149 -5.322 1.00 30.33 H new ATOM 0 HG2 LYS A 65 6.978 5.214 -3.776 1.00 21.34 H new ATOM 0 HG3 LYS A 65 8.541 4.490 -4.102 1.00 21.34 H new ATOM 0 HD2 LYS A 65 9.668 6.595 -3.273 1.00 71.03 H new ATOM 0 HD3 LYS A 65 8.096 7.277 -2.908 1.00 71.03 H new ATOM 0 HE2 LYS A 65 9.086 6.402 -0.856 1.00 21.45 H new ATOM 0 HE3 LYS A 65 7.679 5.441 -1.266 1.00 21.45 H new ATOM 0 HZ1 LYS A 65 8.940 3.639 -1.355 1.00 64.02 H new ATOM 0 HZ2 LYS A 65 9.957 4.336 -2.523 1.00 64.02 H new ATOM 0 HZ3 LYS A 65 10.284 4.558 -0.871 1.00 64.02 H new ATOM 1076 N THR A 66 6.120 6.500 -8.498 1.00 61.01 N ATOM 1077 CA THR A 66 6.022 7.409 -9.648 1.00 25.30 C ATOM 1078 C THR A 66 5.906 8.871 -9.169 1.00 42.43 C ATOM 1079 O THR A 66 5.191 9.155 -8.202 1.00 61.24 O ATOM 1080 CB THR A 66 4.794 7.034 -10.530 1.00 64.21 C ATOM 1081 OG1 THR A 66 4.816 5.624 -10.798 1.00 3.23 O ATOM 1082 CG2 THR A 66 4.783 7.801 -11.861 1.00 23.13 C ATOM 0 H THR A 66 5.237 6.057 -8.245 1.00 61.01 H new ATOM 0 HA THR A 66 6.927 7.309 -10.247 1.00 25.30 H new ATOM 0 HB THR A 66 3.894 7.308 -9.980 1.00 64.21 H new ATOM 0 HG1 THR A 66 4.026 5.203 -10.399 1.00 3.23 H new ATOM 0 HG21 THR A 66 3.909 7.508 -12.443 1.00 23.13 H new ATOM 0 HG22 THR A 66 4.744 8.872 -11.663 1.00 23.13 H new ATOM 0 HG23 THR A 66 5.688 7.568 -12.423 1.00 23.13 H new ATOM 1090 N GLY A 67 6.603 9.780 -9.869 1.00 35.02 N ATOM 1091 CA GLY A 67 6.688 11.175 -9.464 1.00 1.51 C ATOM 1092 C GLY A 67 7.847 11.382 -8.492 1.00 43.45 C ATOM 1093 O GLY A 67 7.650 11.410 -7.273 1.00 14.24 O ATOM 0 H GLY A 67 7.116 9.562 -10.723 1.00 35.02 H new ATOM 0 HA2 GLY A 67 6.825 11.807 -10.342 1.00 1.51 H new ATOM 0 HA3 GLY A 67 5.753 11.481 -8.994 1.00 1.51 H new ATOM 1097 N GLY A 68 9.058 11.488 -9.050 1.00 72.22 N ATOM 1098 CA GLY A 68 10.281 11.639 -8.273 1.00 34.42 C ATOM 1099 C GLY A 68 11.462 11.978 -9.169 1.00 73.14 C ATOM 1100 O GLY A 68 12.351 11.147 -9.379 1.00 24.52 O ATOM 0 H GLY A 68 9.212 11.471 -10.058 1.00 72.22 H new ATOM 0 HA2 GLY A 68 10.148 12.425 -7.529 1.00 34.42 H new ATOM 0 HA3 GLY A 68 10.486 10.717 -7.729 1.00 34.42 H new ATOM 1104 N SER A 69 11.455 13.205 -9.714 1.00 51.11 N ATOM 1105 CA SER A 69 12.482 13.679 -10.653 1.00 11.21 C ATOM 1106 C SER A 69 12.885 15.121 -10.291 1.00 15.54 C ATOM 1107 O SER A 69 12.014 15.982 -10.123 1.00 23.54 O ATOM 1108 CB SER A 69 11.935 13.600 -12.102 1.00 33.15 C ATOM 1109 OG SER A 69 12.922 13.973 -13.051 1.00 2.43 O ATOM 0 H SER A 69 10.734 13.898 -9.514 1.00 51.11 H new ATOM 0 HA SER A 69 13.368 13.048 -10.585 1.00 11.21 H new ATOM 0 HB2 SER A 69 11.595 12.585 -12.309 1.00 33.15 H new ATOM 0 HB3 SER A 69 11.068 14.253 -12.201 1.00 33.15 H new ATOM 0 HG SER A 69 12.547 13.911 -13.954 1.00 2.43 H new ATOM 1115 N LEU A 70 14.205 15.368 -10.179 1.00 63.21 N ATOM 1116 CA LEU A 70 14.747 16.677 -9.792 1.00 12.25 C ATOM 1117 C LEU A 70 14.901 17.564 -11.041 1.00 13.03 C ATOM 1118 O LEU A 70 15.940 17.538 -11.705 1.00 70.31 O ATOM 1119 CB LEU A 70 16.116 16.537 -9.054 1.00 51.12 C ATOM 1120 CG LEU A 70 16.115 15.769 -7.689 1.00 64.45 C ATOM 1121 CD1 LEU A 70 15.953 14.244 -7.878 1.00 2.13 C ATOM 1122 CD2 LEU A 70 17.374 16.102 -6.856 1.00 74.10 C ATOM 0 H LEU A 70 14.921 14.664 -10.355 1.00 63.21 H new ATOM 0 HA LEU A 70 14.047 17.143 -9.099 1.00 12.25 H new ATOM 0 HB2 LEU A 70 16.812 16.034 -9.725 1.00 51.12 H new ATOM 0 HB3 LEU A 70 16.510 17.538 -8.879 1.00 51.12 H new ATOM 0 HG LEU A 70 15.244 16.114 -7.131 1.00 64.45 H new ATOM 0 HD11 LEU A 70 15.958 13.754 -6.904 1.00 2.13 H new ATOM 0 HD12 LEU A 70 15.009 14.038 -8.383 1.00 2.13 H new ATOM 0 HD13 LEU A 70 16.777 13.862 -8.480 1.00 2.13 H new ATOM 0 HD21 LEU A 70 17.343 15.553 -5.915 1.00 74.10 H new ATOM 0 HD22 LEU A 70 18.266 15.816 -7.414 1.00 74.10 H new ATOM 0 HD23 LEU A 70 17.402 17.172 -6.651 1.00 74.10 H new ATOM 1134 N GLU A 71 13.834 18.310 -11.372 1.00 23.31 N ATOM 1135 CA GLU A 71 13.858 19.312 -12.447 1.00 30.52 C ATOM 1136 C GLU A 71 14.696 20.525 -12.013 1.00 63.12 C ATOM 1137 O GLU A 71 14.492 21.067 -10.922 1.00 23.11 O ATOM 1138 CB GLU A 71 12.410 19.747 -12.796 1.00 4.43 C ATOM 1139 CG GLU A 71 12.292 20.888 -13.824 1.00 40.43 C ATOM 1140 CD GLU A 71 12.881 20.527 -15.196 1.00 3.05 C ATOM 1141 OE1 GLU A 71 12.191 19.848 -15.982 1.00 63.12 O ATOM 1142 OE2 GLU A 71 14.042 20.909 -15.485 1.00 41.11 O ATOM 0 H GLU A 71 12.932 18.234 -10.902 1.00 23.31 H new ATOM 0 HA GLU A 71 14.313 18.875 -13.336 1.00 30.52 H new ATOM 0 HB2 GLU A 71 11.870 18.880 -13.177 1.00 4.43 H new ATOM 0 HB3 GLU A 71 11.910 20.055 -11.878 1.00 4.43 H new ATOM 0 HG2 GLU A 71 11.242 21.153 -13.945 1.00 40.43 H new ATOM 0 HG3 GLU A 71 12.801 21.771 -13.438 1.00 40.43 H new ATOM 1149 N HIS A 72 15.633 20.943 -12.877 1.00 63.25 N ATOM 1150 CA HIS A 72 16.527 22.082 -12.598 1.00 61.11 C ATOM 1151 C HIS A 72 15.843 23.411 -12.958 1.00 15.33 C ATOM 1152 O HIS A 72 15.891 24.380 -12.193 1.00 51.12 O ATOM 1153 CB HIS A 72 17.848 21.937 -13.400 1.00 14.13 C ATOM 1154 CG HIS A 72 18.686 20.736 -13.023 1.00 4.31 C ATOM 1155 ND1 HIS A 72 19.758 20.807 -12.159 1.00 65.10 N ATOM 1156 CD2 HIS A 72 18.604 19.430 -13.398 1.00 50.12 C ATOM 1157 CE1 HIS A 72 20.293 19.610 -12.024 1.00 40.31 C ATOM 1158 NE2 HIS A 72 19.610 18.762 -12.764 1.00 33.14 N ATOM 0 H HIS A 72 15.794 20.505 -13.784 1.00 63.25 H new ATOM 0 HA HIS A 72 16.754 22.084 -11.532 1.00 61.11 H new ATOM 0 HB2 HIS A 72 17.608 21.877 -14.462 1.00 14.13 H new ATOM 0 HB3 HIS A 72 18.444 22.838 -13.258 1.00 14.13 H new ATOM 0 HD2 HIS A 72 17.877 19.002 -14.072 1.00 50.12 H new ATOM 0 HE1 HIS A 72 21.147 19.366 -11.410 1.00 40.31 H new ATOM 0 HE2 HIS A 72 19.803 17.764 -12.850 1.00 33.14 H new ATOM 1167 N HIS A 73 15.193 23.432 -14.139 1.00 71.41 N ATOM 1168 CA HIS A 73 14.581 24.649 -14.720 1.00 42.14 C ATOM 1169 C HIS A 73 13.418 24.272 -15.676 1.00 42.11 C ATOM 1170 O HIS A 73 13.649 23.926 -16.840 1.00 53.40 O ATOM 1171 CB HIS A 73 15.672 25.519 -15.433 1.00 74.04 C ATOM 1172 CG HIS A 73 16.732 24.747 -16.200 1.00 13.31 C ATOM 1173 ND1 HIS A 73 18.068 24.766 -15.849 1.00 14.22 N ATOM 1174 CD2 HIS A 73 16.664 23.961 -17.306 1.00 22.31 C ATOM 1175 CE1 HIS A 73 18.758 24.038 -16.703 1.00 34.13 C ATOM 1176 NE2 HIS A 73 17.932 23.536 -17.588 1.00 32.04 N ATOM 0 H HIS A 73 15.076 22.603 -14.721 1.00 71.41 H new ATOM 0 HA HIS A 73 14.155 25.251 -13.918 1.00 42.14 H new ATOM 0 HB2 HIS A 73 15.174 26.200 -16.123 1.00 74.04 H new ATOM 0 HB3 HIS A 73 16.168 26.134 -14.682 1.00 74.04 H new ATOM 0 HD2 HIS A 73 15.771 23.716 -17.861 1.00 22.31 H new ATOM 0 HE1 HIS A 73 19.826 23.881 -16.678 1.00 34.13 H new ATOM 0 HE2 HIS A 73 18.193 22.926 -18.363 1.00 32.04 H new ATOM 1185 N HIS A 74 12.164 24.301 -15.160 1.00 63.23 N ATOM 1186 CA HIS A 74 10.951 23.962 -15.959 1.00 44.30 C ATOM 1187 C HIS A 74 10.416 25.179 -16.746 1.00 30.35 C ATOM 1188 O HIS A 74 9.249 25.581 -16.616 1.00 4.30 O ATOM 1189 CB HIS A 74 9.852 23.306 -15.066 1.00 12.31 C ATOM 1190 CG HIS A 74 9.468 24.053 -13.814 1.00 23.02 C ATOM 1191 ND1 HIS A 74 9.979 23.741 -12.570 1.00 14.30 N ATOM 1192 CD2 HIS A 74 8.575 25.052 -13.601 1.00 2.03 C ATOM 1193 CE1 HIS A 74 9.418 24.509 -11.661 1.00 21.30 C ATOM 1194 NE2 HIS A 74 8.564 25.314 -12.256 1.00 64.22 N ATOM 0 H HIS A 74 11.962 24.556 -14.193 1.00 63.23 H new ATOM 0 HA HIS A 74 11.246 23.222 -16.703 1.00 44.30 H new ATOM 0 HB2 HIS A 74 8.956 23.172 -15.672 1.00 12.31 H new ATOM 0 HB3 HIS A 74 10.194 22.312 -14.779 1.00 12.31 H new ATOM 0 HD2 HIS A 74 7.981 25.550 -14.354 1.00 2.03 H new ATOM 0 HE1 HIS A 74 9.624 24.483 -10.601 1.00 21.30 H new ATOM 0 HE2 HIS A 74 7.989 26.017 -11.792 1.00 64.22 H new ATOM 1203 N HIS A 75 11.304 25.740 -17.577 1.00 30.02 N ATOM 1204 CA HIS A 75 10.989 26.840 -18.492 1.00 43.55 C ATOM 1205 C HIS A 75 12.136 26.973 -19.486 1.00 43.20 C ATOM 1206 O HIS A 75 13.212 27.454 -19.129 1.00 52.43 O ATOM 1207 CB HIS A 75 10.780 28.170 -17.725 1.00 21.43 C ATOM 1208 CG HIS A 75 10.326 29.333 -18.576 1.00 42.54 C ATOM 1209 ND1 HIS A 75 9.002 29.565 -18.877 1.00 61.40 N ATOM 1210 CD2 HIS A 75 11.022 30.333 -19.183 1.00 71.40 C ATOM 1211 CE1 HIS A 75 8.904 30.647 -19.626 1.00 64.24 C ATOM 1212 NE2 HIS A 75 10.109 31.129 -19.826 1.00 1.53 N ATOM 0 H HIS A 75 12.276 25.436 -17.632 1.00 30.02 H new ATOM 0 HA HIS A 75 10.057 26.622 -19.014 1.00 43.55 H new ATOM 0 HB2 HIS A 75 10.044 28.006 -16.938 1.00 21.43 H new ATOM 0 HB3 HIS A 75 11.716 28.441 -17.236 1.00 21.43 H new ATOM 0 HD2 HIS A 75 12.093 30.473 -19.162 1.00 71.40 H new ATOM 0 HE1 HIS A 75 7.986 31.066 -20.010 1.00 64.24 H new ATOM 0 HE2 HIS A 75 10.330 31.962 -20.372 1.00 1.53 H new ATOM 1221 N HIS A 76 11.910 26.528 -20.718 1.00 45.53 N ATOM 1222 CA HIS A 76 12.932 26.586 -21.772 1.00 14.11 C ATOM 1223 C HIS A 76 12.870 27.948 -22.467 1.00 41.31 C ATOM 1224 O HIS A 76 11.779 28.465 -22.730 1.00 13.01 O ATOM 1225 CB HIS A 76 12.734 25.447 -22.802 1.00 11.54 C ATOM 1226 CG HIS A 76 13.872 25.309 -23.797 1.00 55.31 C ATOM 1227 ND1 HIS A 76 13.957 26.064 -24.952 1.00 62.42 N ATOM 1228 CD2 HIS A 76 14.982 24.525 -23.793 1.00 41.34 C ATOM 1229 CE1 HIS A 76 15.059 25.758 -25.600 1.00 74.15 C ATOM 1230 NE2 HIS A 76 15.695 24.831 -24.923 1.00 2.14 N ATOM 0 H HIS A 76 11.025 26.120 -21.018 1.00 45.53 H new ATOM 0 HA HIS A 76 13.913 26.456 -21.315 1.00 14.11 H new ATOM 0 HB2 HIS A 76 12.616 24.504 -22.268 1.00 11.54 H new ATOM 0 HB3 HIS A 76 11.807 25.622 -23.348 1.00 11.54 H new ATOM 0 HD2 HIS A 76 15.252 23.798 -23.041 1.00 41.34 H new ATOM 0 HE1 HIS A 76 15.386 26.195 -26.532 1.00 74.15 H new ATOM 0 HE2 HIS A 76 16.581 24.405 -25.195 1.00 2.14 H new ATOM 1239 N HIS A 77 14.052 28.500 -22.773 1.00 54.13 N ATOM 1240 CA HIS A 77 14.201 29.806 -23.430 1.00 33.32 C ATOM 1241 C HIS A 77 15.440 29.775 -24.363 1.00 31.33 C ATOM 1242 O HIS A 77 16.545 30.215 -23.967 1.00 31.42 O ATOM 1243 CB HIS A 77 14.260 30.953 -22.373 1.00 32.01 C ATOM 1244 CG HIS A 77 15.226 30.737 -21.228 1.00 23.01 C ATOM 1245 ND1 HIS A 77 16.481 31.310 -21.168 1.00 41.41 N ATOM 1246 CD2 HIS A 77 15.087 30.042 -20.073 1.00 14.22 C ATOM 1247 CE1 HIS A 77 17.060 30.980 -20.031 1.00 1.43 C ATOM 1248 NE2 HIS A 77 16.236 30.212 -19.351 1.00 1.33 N ATOM 1249 OXT HIS A 77 15.312 29.267 -25.493 1.00 37.40 O ATOM 0 H HIS A 77 14.943 28.047 -22.569 1.00 54.13 H new ATOM 0 HA HIS A 77 13.329 30.012 -24.050 1.00 33.32 H new ATOM 0 HB2 HIS A 77 14.529 31.879 -22.882 1.00 32.01 H new ATOM 0 HB3 HIS A 77 13.261 31.095 -21.960 1.00 32.01 H new ATOM 0 HD2 HIS A 77 14.226 29.460 -19.777 1.00 14.22 H new ATOM 0 HE1 HIS A 77 18.045 31.288 -19.711 1.00 1.43 H new ATOM 0 HE2 HIS A 77 16.424 29.808 -18.433 1.00 1.33 H new TER 1258 HIS A 77