USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= 0.382 X(o=1.1,f=1.3) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.72 USER MOD Set 2.1: A 1 MET CE :methyl -140:sc= 0 (180deg=0) USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 19 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0495) USER MOD Single : A 9 CYS SG : rot 39:sc= 0.0761 USER MOD Single : A 11 GLN : amide:sc= 0.953 K(o=0.95,f=-5!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 1.32 (180deg=1.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 144:sc= -0.361 (180deg=-2.64!) USER MOD Single : A 31 MET CE :methyl 143:sc= -8.02! (180deg=-10.4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -71:sc= 1.15 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0285 X(o=-0.029,f=-0.41) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.614) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -177:sc= -3.1! (180deg=-3.1!) USER MOD Single : A 76 HIS : no HE2:sc= 0.597 K(o=0.6,f=-4.9!) USER MOD Single : A 77 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.25) USER MOD Single : A 78 HIS : no HE2:sc= 0.342 K(o=0.34,f=-3.1!) USER MOD Single : A 79 HIS : no HD1:sc= -0.0975 X(o=-0.097,f=-0.2) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.772 7.088 12.592 1.00 31.23 N ATOM 2 CA MET A 1 -1.930 6.524 11.510 1.00 23.22 C ATOM 3 C MET A 1 -2.447 5.161 11.078 1.00 40.20 C ATOM 4 O MET A 1 -2.688 4.282 11.909 1.00 74.13 O ATOM 5 CB MET A 1 -0.472 6.397 11.967 1.00 1.44 C ATOM 6 CG MET A 1 0.431 5.726 10.942 1.00 51.33 C ATOM 7 SD MET A 1 2.144 5.607 11.492 1.00 2.52 S ATOM 8 CE MET A 1 2.873 4.734 10.109 1.00 35.25 C ATOM 0 H1 MET A 1 -2.401 8.018 12.871 1.00 31.23 H new ATOM 0 H2 MET A 1 -3.749 7.193 12.252 1.00 31.23 H new ATOM 0 H3 MET A 1 -2.757 6.449 13.412 1.00 31.23 H new ATOM 0 HA MET A 1 -1.979 7.207 10.662 1.00 23.22 H new ATOM 0 HB2 MET A 1 -0.081 7.390 12.188 1.00 1.44 H new ATOM 0 HB3 MET A 1 -0.439 5.828 12.896 1.00 1.44 H new ATOM 0 HG2 MET A 1 0.052 4.726 10.730 1.00 51.33 H new ATOM 0 HG3 MET A 1 0.392 6.287 10.008 1.00 51.33 H new ATOM 0 HE1 MET A 1 3.588 3.999 10.479 1.00 35.25 H new ATOM 0 HE2 MET A 1 2.090 4.227 9.545 1.00 35.25 H new ATOM 0 HE3 MET A 1 3.386 5.444 9.460 1.00 35.25 H new ATOM 18 N PHE A 2 -2.616 4.991 9.780 1.00 61.24 N ATOM 19 CA PHE A 2 -3.006 3.710 9.228 1.00 0.44 C ATOM 20 C PHE A 2 -1.955 3.271 8.223 1.00 50.05 C ATOM 21 O PHE A 2 -1.799 3.878 7.165 1.00 64.13 O ATOM 22 CB PHE A 2 -4.392 3.788 8.580 1.00 42.43 C ATOM 23 CG PHE A 2 -4.922 2.451 8.137 1.00 75.12 C ATOM 24 CD1 PHE A 2 -5.456 1.563 9.059 1.00 24.31 C ATOM 25 CD2 PHE A 2 -4.886 2.084 6.805 1.00 33.04 C ATOM 26 CE1 PHE A 2 -5.950 0.337 8.655 1.00 4.42 C ATOM 27 CE2 PHE A 2 -5.376 0.859 6.396 1.00 25.34 C ATOM 28 CZ PHE A 2 -5.907 -0.016 7.322 1.00 51.11 C ATOM 0 H PHE A 2 -2.488 5.728 9.087 1.00 61.24 H new ATOM 0 HA PHE A 2 -3.070 2.974 10.029 1.00 0.44 H new ATOM 0 HB2 PHE A 2 -5.092 4.231 9.289 1.00 42.43 H new ATOM 0 HB3 PHE A 2 -4.345 4.455 7.719 1.00 42.43 H new ATOM 0 HD1 PHE A 2 -5.486 1.833 10.104 1.00 24.31 H new ATOM 0 HD2 PHE A 2 -4.470 2.763 6.075 1.00 33.04 H new ATOM 0 HE1 PHE A 2 -6.369 -0.343 9.382 1.00 4.42 H new ATOM 0 HE2 PHE A 2 -5.344 0.586 5.352 1.00 25.34 H new ATOM 0 HZ PHE A 2 -6.288 -0.975 7.004 1.00 51.11 H new ATOM 38 N SER A 3 -1.217 2.241 8.578 1.00 62.34 N ATOM 39 CA SER A 3 -0.120 1.778 7.754 1.00 25.25 C ATOM 40 C SER A 3 -0.622 0.858 6.644 1.00 74.11 C ATOM 41 O SER A 3 -1.633 0.174 6.802 1.00 55.11 O ATOM 42 CB SER A 3 0.896 1.045 8.625 1.00 73.44 C ATOM 43 OG SER A 3 1.236 1.811 9.768 1.00 62.40 O ATOM 0 H SER A 3 -1.357 1.706 9.435 1.00 62.34 H new ATOM 0 HA SER A 3 0.355 2.641 7.287 1.00 25.25 H new ATOM 0 HB2 SER A 3 0.486 0.084 8.936 1.00 73.44 H new ATOM 0 HB3 SER A 3 1.794 0.836 8.044 1.00 73.44 H new ATOM 0 HG SER A 3 1.887 1.318 10.310 1.00 62.40 H new ATOM 49 N LEU A 4 0.098 0.841 5.528 1.00 43.44 N ATOM 50 CA LEU A 4 -0.249 -0.001 4.386 1.00 32.31 C ATOM 51 C LEU A 4 -0.137 -1.480 4.757 1.00 73.13 C ATOM 52 O LEU A 4 -0.770 -2.336 4.145 1.00 5.21 O ATOM 53 CB LEU A 4 0.674 0.326 3.204 1.00 75.11 C ATOM 54 CG LEU A 4 0.353 -0.398 1.894 1.00 33.32 C ATOM 55 CD1 LEU A 4 -1.065 -0.087 1.452 1.00 23.13 C ATOM 56 CD2 LEU A 4 1.343 -0.005 0.808 1.00 62.42 C ATOM 0 H LEU A 4 0.935 1.407 5.388 1.00 43.44 H new ATOM 0 HA LEU A 4 -1.281 0.200 4.098 1.00 32.31 H new ATOM 0 HB2 LEU A 4 0.636 1.400 3.023 1.00 75.11 H new ATOM 0 HB3 LEU A 4 1.698 0.086 3.489 1.00 75.11 H new ATOM 0 HG LEU A 4 0.438 -1.471 2.065 1.00 33.32 H new ATOM 0 HD11 LEU A 4 -1.278 -0.609 0.519 1.00 23.13 H new ATOM 0 HD12 LEU A 4 -1.766 -0.415 2.220 1.00 23.13 H new ATOM 0 HD13 LEU A 4 -1.171 0.987 1.299 1.00 23.13 H new ATOM 0 HD21 LEU A 4 1.098 -0.530 -0.115 1.00 62.42 H new ATOM 0 HD22 LEU A 4 1.290 1.070 0.639 1.00 62.42 H new ATOM 0 HD23 LEU A 4 2.352 -0.273 1.121 1.00 62.42 H new ATOM 68 N ARG A 5 0.672 -1.760 5.774 1.00 22.33 N ATOM 69 CA ARG A 5 0.839 -3.117 6.298 1.00 21.44 C ATOM 70 C ARG A 5 -0.475 -3.629 6.894 1.00 54.23 C ATOM 71 O ARG A 5 -0.688 -4.833 7.016 1.00 74.55 O ATOM 72 CB ARG A 5 1.915 -3.119 7.387 1.00 33.11 C ATOM 73 CG ARG A 5 1.504 -2.308 8.592 1.00 52.44 C ATOM 74 CD ARG A 5 1.963 -2.931 9.893 1.00 54.11 C ATOM 75 NE ARG A 5 1.495 -2.153 11.037 1.00 12.51 N ATOM 76 CZ ARG A 5 2.227 -1.907 12.119 1.00 11.12 C ATOM 77 NH1 ARG A 5 3.424 -2.462 12.252 1.00 11.32 N ATOM 78 NH2 ARG A 5 1.750 -1.126 13.082 1.00 24.34 N ATOM 0 H ARG A 5 1.230 -1.057 6.259 1.00 22.33 H new ATOM 0 HA ARG A 5 1.137 -3.770 5.478 1.00 21.44 H new ATOM 0 HB2 ARG A 5 2.118 -4.145 7.693 1.00 33.11 H new ATOM 0 HB3 ARG A 5 2.843 -2.718 6.980 1.00 33.11 H new ATOM 0 HG2 ARG A 5 1.918 -1.303 8.508 1.00 52.44 H new ATOM 0 HG3 ARG A 5 0.419 -2.206 8.605 1.00 52.44 H new ATOM 0 HD2 ARG A 5 1.588 -3.952 9.964 1.00 54.11 H new ATOM 0 HD3 ARG A 5 3.051 -2.990 9.909 1.00 54.11 H new ATOM 0 HE ARG A 5 0.548 -1.775 11.004 1.00 12.51 H new ATOM 0 HH11 ARG A 5 3.784 -3.078 11.524 1.00 11.32 H new ATOM 0 HH12 ARG A 5 3.985 -2.272 13.083 1.00 11.32 H new ATOM 0 HH21 ARG A 5 0.821 -0.714 12.992 1.00 24.34 H new ATOM 0 HH22 ARG A 5 2.313 -0.938 13.912 1.00 24.34 H new ATOM 92 N ASP A 6 -1.346 -2.694 7.267 1.00 33.22 N ATOM 93 CA ASP A 6 -2.606 -3.023 7.923 1.00 21.41 C ATOM 94 C ASP A 6 -3.706 -3.265 6.902 1.00 13.15 C ATOM 95 O ASP A 6 -4.842 -3.574 7.263 1.00 2.54 O ATOM 96 CB ASP A 6 -3.024 -1.902 8.880 1.00 0.30 C ATOM 97 CG ASP A 6 -2.222 -1.885 10.168 1.00 52.51 C ATOM 98 OD1 ASP A 6 -2.737 -2.372 11.199 1.00 10.52 O ATOM 99 OD2 ASP A 6 -1.084 -1.369 10.166 1.00 50.03 O ATOM 0 H ASP A 6 -1.199 -1.695 7.124 1.00 33.22 H new ATOM 0 HA ASP A 6 -2.454 -3.939 8.493 1.00 21.41 H new ATOM 0 HB2 ASP A 6 -2.910 -0.942 8.376 1.00 0.30 H new ATOM 0 HB3 ASP A 6 -4.082 -2.013 9.120 1.00 0.30 H new ATOM 105 N ALA A 7 -3.370 -3.123 5.630 1.00 1.12 N ATOM 106 CA ALA A 7 -4.317 -3.390 4.560 1.00 11.32 C ATOM 107 C ALA A 7 -4.269 -4.866 4.192 1.00 21.23 C ATOM 108 O ALA A 7 -3.232 -5.377 3.776 1.00 1.45 O ATOM 109 CB ALA A 7 -4.019 -2.517 3.351 1.00 65.42 C ATOM 0 H ALA A 7 -2.448 -2.824 5.313 1.00 1.12 H new ATOM 0 HA ALA A 7 -5.322 -3.147 4.904 1.00 11.32 H new ATOM 0 HB1 ALA A 7 -4.739 -2.732 2.561 1.00 65.42 H new ATOM 0 HB2 ALA A 7 -4.093 -1.467 3.633 1.00 65.42 H new ATOM 0 HB3 ALA A 7 -3.012 -2.726 2.991 1.00 65.42 H new ATOM 115 N LYS A 8 -5.387 -5.554 4.362 1.00 50.34 N ATOM 116 CA LYS A 8 -5.429 -6.995 4.171 1.00 75.33 C ATOM 117 C LYS A 8 -5.884 -7.372 2.767 1.00 32.13 C ATOM 118 O LYS A 8 -6.333 -6.526 1.990 1.00 34.03 O ATOM 119 CB LYS A 8 -6.336 -7.659 5.212 1.00 31.10 C ATOM 120 CG LYS A 8 -5.627 -8.006 6.516 1.00 23.21 C ATOM 121 CD LYS A 8 -5.095 -6.775 7.231 1.00 52.41 C ATOM 122 CE LYS A 8 -4.288 -7.154 8.462 1.00 53.50 C ATOM 123 NZ LYS A 8 -5.119 -7.823 9.500 1.00 24.14 N ATOM 0 H LYS A 8 -6.278 -5.137 4.632 1.00 50.34 H new ATOM 0 HA LYS A 8 -4.411 -7.361 4.302 1.00 75.33 H new ATOM 0 HB2 LYS A 8 -7.171 -6.993 5.430 1.00 31.10 H new ATOM 0 HB3 LYS A 8 -6.757 -8.569 4.785 1.00 31.10 H new ATOM 0 HG2 LYS A 8 -6.318 -8.534 7.173 1.00 23.21 H new ATOM 0 HG3 LYS A 8 -4.802 -8.687 6.308 1.00 23.21 H new ATOM 0 HD2 LYS A 8 -4.471 -6.197 6.549 1.00 52.41 H new ATOM 0 HD3 LYS A 8 -5.927 -6.134 7.523 1.00 52.41 H new ATOM 0 HE2 LYS A 8 -3.473 -7.817 8.170 1.00 53.50 H new ATOM 0 HE3 LYS A 8 -3.834 -6.258 8.886 1.00 53.50 H new ATOM 0 HZ1 LYS A 8 -4.550 -7.970 10.358 1.00 24.14 H new ATOM 0 HZ2 LYS A 8 -5.939 -7.225 9.727 1.00 24.14 H new ATOM 0 HZ3 LYS A 8 -5.449 -8.742 9.141 1.00 24.14 H new ATOM 137 N CYS A 9 -5.766 -8.656 2.460 1.00 72.31 N ATOM 138 CA CYS A 9 -6.130 -9.179 1.156 1.00 45.41 C ATOM 139 C CYS A 9 -7.606 -8.944 0.858 1.00 72.01 C ATOM 140 O CYS A 9 -8.484 -9.335 1.633 1.00 54.50 O ATOM 141 CB CYS A 9 -5.805 -10.670 1.096 1.00 54.04 C ATOM 142 SG CYS A 9 -6.370 -11.596 2.541 1.00 23.01 S ATOM 0 H CYS A 9 -5.416 -9.361 3.108 1.00 72.31 H new ATOM 0 HA CYS A 9 -5.553 -8.651 0.397 1.00 45.41 H new ATOM 0 HB2 CYS A 9 -6.260 -11.096 0.202 1.00 54.04 H new ATOM 0 HB3 CYS A 9 -4.727 -10.794 0.995 1.00 54.04 H new ATOM 0 HG CYS A 9 -7.530 -11.146 2.919 1.00 23.01 H new ATOM 148 N GLY A 10 -7.868 -8.287 -0.261 1.00 0.44 N ATOM 149 CA GLY A 10 -9.230 -8.020 -0.659 1.00 3.11 C ATOM 150 C GLY A 10 -9.659 -6.610 -0.322 1.00 44.54 C ATOM 151 O GLY A 10 -10.723 -6.159 -0.749 1.00 61.41 O ATOM 0 H GLY A 10 -7.157 -7.933 -0.902 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -9.331 -8.182 -1.732 1.00 3.11 H new ATOM 0 HA3 GLY A 10 -9.896 -8.728 -0.166 1.00 3.11 H new ATOM 155 N GLN A 11 -8.835 -5.910 0.445 1.00 33.34 N ATOM 156 CA GLN A 11 -9.134 -4.540 0.825 1.00 70.42 C ATOM 157 C GLN A 11 -8.491 -3.563 -0.148 1.00 41.11 C ATOM 158 O GLN A 11 -7.528 -3.898 -0.845 1.00 44.44 O ATOM 159 CB GLN A 11 -8.652 -4.252 2.248 1.00 11.41 C ATOM 160 CG GLN A 11 -9.433 -4.990 3.323 1.00 25.02 C ATOM 161 CD GLN A 11 -8.954 -4.650 4.719 1.00 74.53 C ATOM 162 OE1 GLN A 11 -7.781 -4.355 4.934 1.00 12.33 O ATOM 163 NE2 GLN A 11 -9.861 -4.690 5.679 1.00 10.34 N ATOM 0 H GLN A 11 -7.955 -6.269 0.815 1.00 33.34 H new ATOM 0 HA GLN A 11 -10.216 -4.411 0.792 1.00 70.42 H new ATOM 0 HB2 GLN A 11 -7.599 -4.523 2.327 1.00 11.41 H new ATOM 0 HB3 GLN A 11 -8.720 -3.180 2.434 1.00 11.41 H new ATOM 0 HG2 GLN A 11 -10.491 -4.743 3.234 1.00 25.02 H new ATOM 0 HG3 GLN A 11 -9.342 -6.064 3.162 1.00 25.02 H new ATOM 0 HE21 GLN A 11 -10.825 -4.940 5.459 1.00 10.34 H new ATOM 0 HE22 GLN A 11 -9.597 -4.471 6.640 1.00 10.34 H new ATOM 172 N THR A 12 -9.037 -2.362 -0.195 1.00 65.24 N ATOM 173 CA THR A 12 -8.514 -1.310 -1.040 1.00 43.23 C ATOM 174 C THR A 12 -8.259 -0.059 -0.206 1.00 51.52 C ATOM 175 O THR A 12 -9.132 0.386 0.542 1.00 44.31 O ATOM 176 CB THR A 12 -9.494 -0.990 -2.184 1.00 75.11 C ATOM 177 OG1 THR A 12 -9.813 -2.193 -2.897 1.00 43.30 O ATOM 178 CG2 THR A 12 -8.903 0.030 -3.144 1.00 50.20 C ATOM 0 H THR A 12 -9.854 -2.091 0.352 1.00 65.24 H new ATOM 0 HA THR A 12 -7.576 -1.650 -1.478 1.00 43.23 H new ATOM 0 HB THR A 12 -10.399 -0.566 -1.749 1.00 75.11 H new ATOM 0 HG1 THR A 12 -10.438 -1.987 -3.623 1.00 43.30 H new ATOM 0 HG21 THR A 12 -9.617 0.236 -3.941 1.00 50.20 H new ATOM 0 HG22 THR A 12 -8.684 0.952 -2.606 1.00 50.20 H new ATOM 0 HG23 THR A 12 -7.983 -0.366 -3.575 1.00 50.20 H new ATOM 186 N VAL A 13 -7.060 0.486 -0.315 1.00 55.13 N ATOM 187 CA VAL A 13 -6.681 1.660 0.453 1.00 12.54 C ATOM 188 C VAL A 13 -6.121 2.743 -0.459 1.00 1.42 C ATOM 189 O VAL A 13 -6.005 2.550 -1.670 1.00 2.10 O ATOM 190 CB VAL A 13 -5.641 1.318 1.540 1.00 73.34 C ATOM 191 CG1 VAL A 13 -6.247 0.414 2.602 1.00 43.21 C ATOM 192 CG2 VAL A 13 -4.413 0.672 0.921 1.00 72.35 C ATOM 0 H VAL A 13 -6.328 0.132 -0.931 1.00 55.13 H new ATOM 0 HA VAL A 13 -7.583 2.028 0.942 1.00 12.54 H new ATOM 0 HB VAL A 13 -5.333 2.246 2.021 1.00 73.34 H new ATOM 0 HG11 VAL A 13 -5.495 0.186 3.358 1.00 43.21 H new ATOM 0 HG12 VAL A 13 -7.092 0.919 3.071 1.00 43.21 H new ATOM 0 HG13 VAL A 13 -6.589 -0.512 2.140 1.00 43.21 H new ATOM 0 HG21 VAL A 13 -3.691 0.438 1.704 1.00 72.35 H new ATOM 0 HG22 VAL A 13 -4.703 -0.246 0.409 1.00 72.35 H new ATOM 0 HG23 VAL A 13 -3.962 1.359 0.205 1.00 72.35 H new ATOM 202 N LYS A 14 -5.783 3.878 0.130 1.00 42.13 N ATOM 203 CA LYS A 14 -5.245 5.006 -0.606 1.00 3.24 C ATOM 204 C LYS A 14 -4.007 5.552 0.093 1.00 52.43 C ATOM 205 O LYS A 14 -4.054 5.868 1.280 1.00 24.44 O ATOM 206 CB LYS A 14 -6.307 6.093 -0.691 1.00 33.41 C ATOM 207 CG LYS A 14 -5.841 7.376 -1.348 1.00 23.45 C ATOM 208 CD LYS A 14 -6.818 8.496 -1.058 1.00 24.15 C ATOM 209 CE LYS A 14 -8.232 8.102 -1.447 1.00 13.12 C ATOM 210 NZ LYS A 14 -9.246 9.023 -0.877 1.00 25.13 N ATOM 0 H LYS A 14 -5.875 4.042 1.133 1.00 42.13 H new ATOM 0 HA LYS A 14 -4.964 4.682 -1.608 1.00 3.24 H new ATOM 0 HB2 LYS A 14 -7.162 5.706 -1.245 1.00 33.41 H new ATOM 0 HB3 LYS A 14 -6.657 6.321 0.316 1.00 33.41 H new ATOM 0 HG2 LYS A 14 -4.850 7.643 -0.980 1.00 23.45 H new ATOM 0 HG3 LYS A 14 -5.752 7.231 -2.425 1.00 23.45 H new ATOM 0 HD2 LYS A 14 -6.785 8.746 0.003 1.00 24.15 H new ATOM 0 HD3 LYS A 14 -6.523 9.391 -1.605 1.00 24.15 H new ATOM 0 HE2 LYS A 14 -8.320 8.095 -2.533 1.00 13.12 H new ATOM 0 HE3 LYS A 14 -8.432 7.087 -1.104 1.00 13.12 H new ATOM 0 HZ1 LYS A 14 -10.181 8.568 -0.900 1.00 25.13 H new ATOM 0 HZ2 LYS A 14 -8.995 9.249 0.107 1.00 25.13 H new ATOM 0 HZ3 LYS A 14 -9.274 9.899 -1.437 1.00 25.13 H new ATOM 224 N VAL A 15 -2.914 5.673 -0.642 1.00 2.03 N ATOM 225 CA VAL A 15 -1.672 6.203 -0.083 1.00 11.40 C ATOM 226 C VAL A 15 -1.743 7.720 -0.005 1.00 5.12 C ATOM 227 O VAL A 15 -2.020 8.375 -1.007 1.00 64.10 O ATOM 228 CB VAL A 15 -0.442 5.804 -0.931 1.00 70.21 C ATOM 229 CG1 VAL A 15 0.841 6.341 -0.314 1.00 71.11 C ATOM 230 CG2 VAL A 15 -0.365 4.296 -1.092 1.00 43.43 C ATOM 0 H VAL A 15 -2.857 5.413 -1.627 1.00 2.03 H new ATOM 0 HA VAL A 15 -1.557 5.776 0.913 1.00 11.40 H new ATOM 0 HB VAL A 15 -0.557 6.249 -1.919 1.00 70.21 H new ATOM 0 HG11 VAL A 15 1.691 6.047 -0.929 1.00 71.11 H new ATOM 0 HG12 VAL A 15 0.791 7.429 -0.260 1.00 71.11 H new ATOM 0 HG13 VAL A 15 0.961 5.933 0.690 1.00 71.11 H new ATOM 0 HG21 VAL A 15 0.508 4.038 -1.692 1.00 43.43 H new ATOM 0 HG22 VAL A 15 -0.282 3.829 -0.111 1.00 43.43 H new ATOM 0 HG23 VAL A 15 -1.266 3.937 -1.589 1.00 43.43 H new ATOM 240 N VAL A 16 -1.509 8.283 1.170 1.00 22.20 N ATOM 241 CA VAL A 16 -1.582 9.730 1.315 1.00 41.51 C ATOM 242 C VAL A 16 -0.234 10.349 1.657 1.00 42.13 C ATOM 243 O VAL A 16 0.150 11.361 1.066 1.00 52.34 O ATOM 244 CB VAL A 16 -2.651 10.169 2.348 1.00 70.13 C ATOM 245 CG1 VAL A 16 -4.049 9.953 1.791 1.00 61.03 C ATOM 246 CG2 VAL A 16 -2.492 9.427 3.667 1.00 2.11 C ATOM 0 H VAL A 16 -1.272 7.774 2.021 1.00 22.20 H new ATOM 0 HA VAL A 16 -1.886 10.105 0.338 1.00 41.51 H new ATOM 0 HB VAL A 16 -2.505 11.232 2.541 1.00 70.13 H new ATOM 0 HG11 VAL A 16 -4.787 10.266 2.529 1.00 61.03 H new ATOM 0 HG12 VAL A 16 -4.173 10.541 0.881 1.00 61.03 H new ATOM 0 HG13 VAL A 16 -4.190 8.897 1.562 1.00 61.03 H new ATOM 0 HG21 VAL A 16 -3.258 9.760 4.367 1.00 2.11 H new ATOM 0 HG22 VAL A 16 -2.598 8.356 3.497 1.00 2.11 H new ATOM 0 HG23 VAL A 16 -1.506 9.633 4.084 1.00 2.11 H new ATOM 256 N LYS A 17 0.500 9.756 2.584 1.00 44.30 N ATOM 257 CA LYS A 17 1.786 10.315 2.960 1.00 22.23 C ATOM 258 C LYS A 17 2.849 9.237 3.091 1.00 20.33 C ATOM 259 O LYS A 17 2.614 8.166 3.645 1.00 62.22 O ATOM 260 CB LYS A 17 1.689 11.105 4.263 1.00 62.13 C ATOM 261 CG LYS A 17 2.819 12.110 4.420 1.00 20.51 C ATOM 262 CD LYS A 17 2.668 12.966 5.663 1.00 25.32 C ATOM 263 CE LYS A 17 3.778 14.001 5.752 1.00 53.31 C ATOM 264 NZ LYS A 17 3.677 14.816 6.987 1.00 14.33 N ATOM 0 H LYS A 17 0.235 8.905 3.081 1.00 44.30 H new ATOM 0 HA LYS A 17 2.080 10.994 2.159 1.00 22.23 H new ATOM 0 HB2 LYS A 17 0.734 11.629 4.296 1.00 62.13 H new ATOM 0 HB3 LYS A 17 1.703 10.413 5.105 1.00 62.13 H new ATOM 0 HG2 LYS A 17 3.770 11.579 4.462 1.00 20.51 H new ATOM 0 HG3 LYS A 17 2.852 12.754 3.541 1.00 20.51 H new ATOM 0 HD2 LYS A 17 1.700 13.467 5.648 1.00 25.32 H new ATOM 0 HD3 LYS A 17 2.686 12.332 6.549 1.00 25.32 H new ATOM 0 HE2 LYS A 17 4.745 13.499 5.726 1.00 53.31 H new ATOM 0 HE3 LYS A 17 3.735 14.655 4.881 1.00 53.31 H new ATOM 0 HZ1 LYS A 17 4.452 15.509 7.010 1.00 14.33 H new ATOM 0 HZ2 LYS A 17 2.765 15.315 7.000 1.00 14.33 H new ATOM 0 HZ3 LYS A 17 3.744 14.195 7.819 1.00 14.33 H new ATOM 278 N LEU A 18 4.024 9.540 2.578 1.00 54.12 N ATOM 279 CA LEU A 18 5.163 8.652 2.683 1.00 52.42 C ATOM 280 C LEU A 18 6.075 9.152 3.801 1.00 65.21 C ATOM 281 O LEU A 18 6.568 10.279 3.747 1.00 15.24 O ATOM 282 CB LEU A 18 5.905 8.614 1.346 1.00 11.15 C ATOM 283 CG LEU A 18 5.036 8.239 0.136 1.00 34.54 C ATOM 284 CD1 LEU A 18 5.801 8.452 -1.160 1.00 62.43 C ATOM 285 CD2 LEU A 18 4.578 6.794 0.237 1.00 51.52 C ATOM 0 H LEU A 18 4.216 10.408 2.077 1.00 54.12 H new ATOM 0 HA LEU A 18 4.836 7.640 2.920 1.00 52.42 H new ATOM 0 HB2 LEU A 18 6.350 9.592 1.166 1.00 11.15 H new ATOM 0 HB3 LEU A 18 6.725 7.900 1.422 1.00 11.15 H new ATOM 0 HG LEU A 18 4.159 8.887 0.134 1.00 34.54 H new ATOM 0 HD11 LEU A 18 5.168 8.181 -2.005 1.00 62.43 H new ATOM 0 HD12 LEU A 18 6.089 9.500 -1.244 1.00 62.43 H new ATOM 0 HD13 LEU A 18 6.695 7.828 -1.161 1.00 62.43 H new ATOM 0 HD21 LEU A 18 3.964 6.546 -0.628 1.00 51.52 H new ATOM 0 HD22 LEU A 18 5.448 6.138 0.265 1.00 51.52 H new ATOM 0 HD23 LEU A 18 3.993 6.660 1.147 1.00 51.52 H new ATOM 297 N HIS A 19 6.278 8.326 4.825 1.00 33.34 N ATOM 298 CA HIS A 19 7.022 8.754 6.014 1.00 3.34 C ATOM 299 C HIS A 19 8.519 8.512 5.856 1.00 12.54 C ATOM 300 O HIS A 19 9.309 8.858 6.735 1.00 41.03 O ATOM 301 CB HIS A 19 6.518 8.030 7.267 1.00 14.12 C ATOM 302 CG HIS A 19 5.141 8.430 7.709 1.00 12.20 C ATOM 303 ND1 HIS A 19 4.506 7.852 8.785 1.00 51.04 N ATOM 304 CD2 HIS A 19 4.274 9.348 7.217 1.00 45.24 C ATOM 305 CE1 HIS A 19 3.309 8.390 8.934 1.00 4.15 C ATOM 306 NE2 HIS A 19 3.145 9.302 7.996 1.00 53.11 N ATOM 0 H HIS A 19 5.942 7.364 4.859 1.00 33.34 H new ATOM 0 HA HIS A 19 6.853 9.825 6.126 1.00 3.34 H new ATOM 0 HB2 HIS A 19 6.527 6.956 7.079 1.00 14.12 H new ATOM 0 HB3 HIS A 19 7.216 8.216 8.083 1.00 14.12 H new ATOM 0 HD2 HIS A 19 4.441 9.996 6.369 1.00 45.24 H new ATOM 0 HE1 HIS A 19 2.588 8.128 9.694 1.00 4.15 H new ATOM 0 HE2 HIS A 19 2.314 9.880 7.870 1.00 53.11 H new ATOM 315 N GLY A 20 8.904 7.917 4.737 1.00 2.41 N ATOM 316 CA GLY A 20 10.305 7.637 4.492 1.00 11.44 C ATOM 317 C GLY A 20 11.031 8.823 3.891 1.00 63.30 C ATOM 318 O GLY A 20 10.400 9.776 3.435 1.00 75.25 O ATOM 0 H GLY A 20 8.271 7.623 3.993 1.00 2.41 H new ATOM 0 HA2 GLY A 20 10.786 7.356 5.429 1.00 11.44 H new ATOM 0 HA3 GLY A 20 10.391 6.783 3.820 1.00 11.44 H new ATOM 322 N THR A 21 12.354 8.772 3.898 1.00 41.04 N ATOM 323 CA THR A 21 13.161 9.824 3.302 1.00 41.10 C ATOM 324 C THR A 21 13.329 9.556 1.799 1.00 61.34 C ATOM 325 O THR A 21 12.731 8.615 1.274 1.00 42.12 O ATOM 326 CB THR A 21 14.531 9.926 4.009 1.00 54.03 C ATOM 327 OG1 THR A 21 14.374 9.662 5.413 1.00 12.44 O ATOM 328 CG2 THR A 21 15.135 11.313 3.842 1.00 30.03 C ATOM 0 H THR A 21 12.892 8.011 4.311 1.00 41.04 H new ATOM 0 HA THR A 21 12.654 10.781 3.430 1.00 41.10 H new ATOM 0 HB THR A 21 15.196 9.192 3.554 1.00 54.03 H new ATOM 0 HG1 THR A 21 15.245 9.726 5.857 1.00 12.44 H new ATOM 0 HG21 THR A 21 16.098 11.354 4.350 1.00 30.03 H new ATOM 0 HG22 THR A 21 15.275 11.524 2.782 1.00 30.03 H new ATOM 0 HG23 THR A 21 14.465 12.056 4.274 1.00 30.03 H new ATOM 336 N GLY A 22 14.133 10.373 1.119 1.00 14.13 N ATOM 337 CA GLY A 22 14.263 10.297 -0.332 1.00 44.13 C ATOM 338 C GLY A 22 14.547 8.903 -0.872 1.00 45.33 C ATOM 339 O GLY A 22 13.948 8.489 -1.869 1.00 44.43 O ATOM 0 H GLY A 22 14.705 11.097 1.554 1.00 14.13 H new ATOM 0 HA2 GLY A 22 13.344 10.667 -0.786 1.00 44.13 H new ATOM 0 HA3 GLY A 22 15.065 10.964 -0.647 1.00 44.13 H new ATOM 343 N ALA A 23 15.450 8.173 -0.223 1.00 42.44 N ATOM 344 CA ALA A 23 15.821 6.836 -0.682 1.00 53.13 C ATOM 345 C ALA A 23 14.642 5.877 -0.571 1.00 72.02 C ATOM 346 O ALA A 23 14.449 5.012 -1.429 1.00 44.23 O ATOM 347 CB ALA A 23 17.013 6.309 0.104 1.00 43.40 C ATOM 0 H ALA A 23 15.937 8.482 0.618 1.00 42.44 H new ATOM 0 HA ALA A 23 16.105 6.907 -1.732 1.00 53.13 H new ATOM 0 HB1 ALA A 23 17.273 5.313 -0.253 1.00 43.40 H new ATOM 0 HB2 ALA A 23 17.863 6.977 -0.033 1.00 43.40 H new ATOM 0 HB3 ALA A 23 16.758 6.260 1.163 1.00 43.40 H new ATOM 353 N LEU A 24 13.851 6.047 0.480 1.00 45.22 N ATOM 354 CA LEU A 24 12.660 5.233 0.685 1.00 33.31 C ATOM 355 C LEU A 24 11.578 5.636 -0.306 1.00 10.31 C ATOM 356 O LEU A 24 10.963 4.787 -0.950 1.00 3.32 O ATOM 357 CB LEU A 24 12.122 5.380 2.118 1.00 41.13 C ATOM 358 CG LEU A 24 12.862 4.591 3.211 1.00 1.12 C ATOM 359 CD1 LEU A 24 12.797 3.095 2.939 1.00 3.41 C ATOM 360 CD2 LEU A 24 14.309 5.047 3.341 1.00 51.53 C ATOM 0 H LEU A 24 14.014 6.744 1.207 1.00 45.22 H new ATOM 0 HA LEU A 24 12.936 4.191 0.526 1.00 33.31 H new ATOM 0 HB2 LEU A 24 12.145 6.437 2.385 1.00 41.13 H new ATOM 0 HB3 LEU A 24 11.076 5.072 2.123 1.00 41.13 H new ATOM 0 HG LEU A 24 12.360 4.792 4.158 1.00 1.12 H new ATOM 0 HD11 LEU A 24 13.328 2.559 3.726 1.00 3.41 H new ATOM 0 HD12 LEU A 24 11.756 2.774 2.919 1.00 3.41 H new ATOM 0 HD13 LEU A 24 13.261 2.880 1.977 1.00 3.41 H new ATOM 0 HD21 LEU A 24 14.804 4.470 4.122 1.00 51.53 H new ATOM 0 HD22 LEU A 24 14.825 4.893 2.394 1.00 51.53 H new ATOM 0 HD23 LEU A 24 14.335 6.105 3.601 1.00 51.53 H new ATOM 372 N LYS A 25 11.371 6.944 -0.432 1.00 11.52 N ATOM 373 CA LYS A 25 10.346 7.488 -1.317 1.00 44.21 C ATOM 374 C LYS A 25 10.538 6.996 -2.745 1.00 13.41 C ATOM 375 O LYS A 25 9.625 6.429 -3.339 1.00 53.10 O ATOM 376 CB LYS A 25 10.382 9.018 -1.314 1.00 61.34 C ATOM 377 CG LYS A 25 10.001 9.657 0.011 1.00 51.32 C ATOM 378 CD LYS A 25 10.142 11.169 -0.059 1.00 32.51 C ATOM 379 CE LYS A 25 9.743 11.839 1.245 1.00 54.24 C ATOM 380 NZ LYS A 25 9.942 13.312 1.190 1.00 72.33 N ATOM 0 H LYS A 25 11.905 7.652 0.072 1.00 11.52 H new ATOM 0 HA LYS A 25 9.381 7.144 -0.944 1.00 44.21 H new ATOM 0 HB2 LYS A 25 11.386 9.345 -1.585 1.00 61.34 H new ATOM 0 HB3 LYS A 25 9.707 9.386 -2.087 1.00 61.34 H new ATOM 0 HG2 LYS A 25 8.974 9.394 0.265 1.00 51.32 H new ATOM 0 HG3 LYS A 25 10.636 9.264 0.805 1.00 51.32 H new ATOM 0 HD2 LYS A 25 11.174 11.426 -0.298 1.00 32.51 H new ATOM 0 HD3 LYS A 25 9.522 11.554 -0.869 1.00 32.51 H new ATOM 0 HE2 LYS A 25 8.697 11.621 1.461 1.00 54.24 H new ATOM 0 HE3 LYS A 25 10.331 11.423 2.063 1.00 54.24 H new ATOM 0 HZ1 LYS A 25 9.659 13.735 2.097 1.00 72.33 H new ATOM 0 HZ2 LYS A 25 10.945 13.520 1.009 1.00 72.33 H new ATOM 0 HZ3 LYS A 25 9.362 13.712 0.426 1.00 72.33 H new ATOM 394 N ARG A 26 11.740 7.194 -3.277 1.00 34.44 N ATOM 395 CA ARG A 26 12.019 6.890 -4.675 1.00 74.40 C ATOM 396 C ARG A 26 11.894 5.395 -4.946 1.00 44.13 C ATOM 397 O ARG A 26 11.468 4.990 -6.028 1.00 51.13 O ATOM 398 CB ARG A 26 13.414 7.384 -5.059 1.00 61.34 C ATOM 399 CG ARG A 26 13.625 7.497 -6.557 1.00 74.51 C ATOM 400 CD ARG A 26 15.026 7.977 -6.887 1.00 52.42 C ATOM 401 NE ARG A 26 15.157 8.328 -8.297 1.00 30.11 N ATOM 402 CZ ARG A 26 16.287 8.738 -8.863 1.00 62.20 C ATOM 403 NH1 ARG A 26 17.428 8.704 -8.184 1.00 5.13 N ATOM 404 NH2 ARG A 26 16.277 9.161 -10.118 1.00 45.44 N ATOM 0 H ARG A 26 12.537 7.564 -2.760 1.00 34.44 H new ATOM 0 HA ARG A 26 11.281 7.408 -5.287 1.00 74.40 H new ATOM 0 HB2 ARG A 26 13.584 8.359 -4.602 1.00 61.34 H new ATOM 0 HB3 ARG A 26 14.158 6.703 -4.646 1.00 61.34 H new ATOM 0 HG2 ARG A 26 13.452 6.527 -7.024 1.00 74.51 H new ATOM 0 HG3 ARG A 26 12.894 8.188 -6.977 1.00 74.51 H new ATOM 0 HD2 ARG A 26 15.268 8.844 -6.272 1.00 52.42 H new ATOM 0 HD3 ARG A 26 15.746 7.198 -6.637 1.00 52.42 H new ATOM 0 HE ARG A 26 14.328 8.254 -8.886 1.00 30.11 H new ATOM 0 HH11 ARG A 26 17.440 8.362 -7.223 1.00 5.13 H new ATOM 0 HH12 ARG A 26 18.293 9.020 -8.623 1.00 5.13 H new ATOM 0 HH21 ARG A 26 15.404 9.171 -10.646 1.00 45.44 H new ATOM 0 HH22 ARG A 26 17.142 9.477 -10.557 1.00 45.44 H new ATOM 418 N ARG A 27 12.250 4.581 -3.955 1.00 51.21 N ATOM 419 CA ARG A 27 12.133 3.132 -4.074 1.00 13.01 C ATOM 420 C ARG A 27 10.668 2.736 -4.275 1.00 70.53 C ATOM 421 O ARG A 27 10.337 1.947 -5.162 1.00 21.03 O ATOM 422 CB ARG A 27 12.692 2.448 -2.816 1.00 1.22 C ATOM 423 CG ARG A 27 12.729 0.929 -2.908 1.00 41.35 C ATOM 424 CD ARG A 27 13.763 0.456 -3.917 1.00 20.30 C ATOM 425 NE ARG A 27 13.697 -0.989 -4.143 1.00 32.35 N ATOM 426 CZ ARG A 27 14.758 -1.797 -4.108 1.00 1.12 C ATOM 427 NH1 ARG A 27 15.938 -1.335 -3.719 1.00 41.22 N ATOM 428 NH2 ARG A 27 14.630 -3.076 -4.426 1.00 23.51 N ATOM 0 H ARG A 27 12.622 4.901 -3.061 1.00 51.21 H new ATOM 0 HA ARG A 27 12.710 2.806 -4.939 1.00 13.01 H new ATOM 0 HB2 ARG A 27 13.701 2.816 -2.632 1.00 1.22 H new ATOM 0 HB3 ARG A 27 12.086 2.736 -1.957 1.00 1.22 H new ATOM 0 HG2 ARG A 27 12.957 0.510 -1.928 1.00 41.35 H new ATOM 0 HG3 ARG A 27 11.745 0.557 -3.193 1.00 41.35 H new ATOM 0 HD2 ARG A 27 13.610 0.977 -4.862 1.00 20.30 H new ATOM 0 HD3 ARG A 27 14.760 0.721 -3.564 1.00 20.30 H new ATOM 0 HE ARG A 27 12.785 -1.403 -4.339 1.00 32.35 H new ATOM 0 HH11 ARG A 27 16.038 -0.358 -3.445 1.00 41.22 H new ATOM 0 HH12 ARG A 27 16.746 -1.957 -3.694 1.00 41.22 H new ATOM 0 HH21 ARG A 27 13.719 -3.445 -4.698 1.00 23.51 H new ATOM 0 HH22 ARG A 27 15.442 -3.692 -4.399 1.00 23.51 H new ATOM 442 N ILE A 28 9.802 3.311 -3.452 1.00 52.20 N ATOM 443 CA ILE A 28 8.375 3.027 -3.499 1.00 53.24 C ATOM 444 C ILE A 28 7.738 3.640 -4.747 1.00 24.41 C ATOM 445 O ILE A 28 6.856 3.044 -5.365 1.00 65.54 O ATOM 446 CB ILE A 28 7.675 3.562 -2.229 1.00 23.22 C ATOM 447 CG1 ILE A 28 8.353 2.984 -0.985 1.00 54.53 C ATOM 448 CG2 ILE A 28 6.193 3.216 -2.237 1.00 43.00 C ATOM 449 CD1 ILE A 28 7.825 3.543 0.318 1.00 13.32 C ATOM 0 H ILE A 28 10.068 3.986 -2.735 1.00 52.20 H new ATOM 0 HA ILE A 28 8.248 1.945 -3.543 1.00 53.24 H new ATOM 0 HB ILE A 28 7.764 4.648 -2.213 1.00 23.22 H new ATOM 0 HG12 ILE A 28 8.224 1.902 -0.983 1.00 54.53 H new ATOM 0 HG13 ILE A 28 9.424 3.177 -1.044 1.00 54.53 H new ATOM 0 HG21 ILE A 28 5.724 3.604 -1.333 1.00 43.00 H new ATOM 0 HG22 ILE A 28 5.720 3.663 -3.111 1.00 43.00 H new ATOM 0 HG23 ILE A 28 6.072 2.133 -2.273 1.00 43.00 H new ATOM 0 HD11 ILE A 28 8.355 3.084 1.152 1.00 13.32 H new ATOM 0 HD12 ILE A 28 7.978 4.622 0.340 1.00 13.32 H new ATOM 0 HD13 ILE A 28 6.760 3.326 0.402 1.00 13.32 H new ATOM 461 N MET A 29 8.209 4.821 -5.121 1.00 52.31 N ATOM 462 CA MET A 29 7.707 5.517 -6.307 1.00 21.50 C ATOM 463 C MET A 29 8.037 4.746 -7.578 1.00 14.25 C ATOM 464 O MET A 29 7.196 4.613 -8.465 1.00 62.10 O ATOM 465 CB MET A 29 8.286 6.930 -6.402 1.00 15.32 C ATOM 466 CG MET A 29 7.816 7.858 -5.297 1.00 71.50 C ATOM 467 SD MET A 29 8.562 9.495 -5.406 1.00 1.30 S ATOM 468 CE MET A 29 7.936 10.244 -3.907 1.00 4.23 C ATOM 0 H MET A 29 8.942 5.323 -4.620 1.00 52.31 H new ATOM 0 HA MET A 29 6.624 5.584 -6.207 1.00 21.50 H new ATOM 0 HB2 MET A 29 9.374 6.870 -6.375 1.00 15.32 H new ATOM 0 HB3 MET A 29 8.014 7.360 -7.366 1.00 15.32 H new ATOM 0 HG2 MET A 29 6.731 7.953 -5.344 1.00 71.50 H new ATOM 0 HG3 MET A 29 8.056 7.417 -4.330 1.00 71.50 H new ATOM 0 HE1 MET A 29 8.697 10.899 -3.482 1.00 4.23 H new ATOM 0 HE2 MET A 29 7.043 10.826 -4.136 1.00 4.23 H new ATOM 0 HE3 MET A 29 7.686 9.464 -3.188 1.00 4.23 H new ATOM 478 N ASP A 30 9.265 4.239 -7.657 1.00 0.02 N ATOM 479 CA ASP A 30 9.695 3.424 -8.792 1.00 4.11 C ATOM 480 C ASP A 30 8.809 2.192 -8.923 1.00 61.04 C ATOM 481 O ASP A 30 8.527 1.720 -10.022 1.00 2.30 O ATOM 482 CB ASP A 30 11.156 3.000 -8.609 1.00 55.12 C ATOM 483 CG ASP A 30 11.626 2.030 -9.677 1.00 42.14 C ATOM 484 OD1 ASP A 30 11.566 0.804 -9.441 1.00 15.32 O ATOM 485 OD2 ASP A 30 12.077 2.488 -10.749 1.00 23.30 O ATOM 0 H ASP A 30 9.983 4.379 -6.946 1.00 0.02 H new ATOM 0 HA ASP A 30 9.608 4.018 -9.702 1.00 4.11 H new ATOM 0 HB2 ASP A 30 11.791 3.886 -8.625 1.00 55.12 H new ATOM 0 HB3 ASP A 30 11.276 2.539 -7.628 1.00 55.12 H new ATOM 491 N MET A 31 8.358 1.702 -7.780 1.00 22.42 N ATOM 492 CA MET A 31 7.482 0.544 -7.711 1.00 23.51 C ATOM 493 C MET A 31 6.108 0.866 -8.297 1.00 15.31 C ATOM 494 O MET A 31 5.389 -0.023 -8.751 1.00 4.20 O ATOM 495 CB MET A 31 7.352 0.127 -6.250 1.00 34.31 C ATOM 496 CG MET A 31 6.940 -1.313 -6.027 1.00 60.45 C ATOM 497 SD MET A 31 7.212 -1.825 -4.320 1.00 10.55 S ATOM 498 CE MET A 31 6.925 -0.277 -3.452 1.00 53.54 C ATOM 0 H MET A 31 8.590 2.098 -6.869 1.00 22.42 H new ATOM 0 HA MET A 31 7.906 -0.271 -8.297 1.00 23.51 H new ATOM 0 HB2 MET A 31 8.308 0.296 -5.754 1.00 34.31 H new ATOM 0 HB3 MET A 31 6.622 0.776 -5.767 1.00 34.31 H new ATOM 0 HG2 MET A 31 5.887 -1.434 -6.280 1.00 60.45 H new ATOM 0 HG3 MET A 31 7.505 -1.962 -6.696 1.00 60.45 H new ATOM 0 HE1 MET A 31 6.418 -0.478 -2.508 1.00 53.54 H new ATOM 0 HE2 MET A 31 7.879 0.212 -3.255 1.00 53.54 H new ATOM 0 HE3 MET A 31 6.303 0.375 -4.066 1.00 53.54 H new ATOM 508 N GLY A 32 5.759 2.146 -8.293 1.00 51.15 N ATOM 509 CA GLY A 32 4.477 2.573 -8.813 1.00 3.10 C ATOM 510 C GLY A 32 3.600 3.177 -7.738 1.00 4.14 C ATOM 511 O GLY A 32 2.617 3.861 -8.031 1.00 3.52 O ATOM 0 H GLY A 32 6.346 2.900 -7.936 1.00 51.15 H new ATOM 0 HA2 GLY A 32 4.633 3.304 -9.606 1.00 3.10 H new ATOM 0 HA3 GLY A 32 3.966 1.721 -9.261 1.00 3.10 H new ATOM 515 N ILE A 33 3.967 2.937 -6.489 1.00 14.35 N ATOM 516 CA ILE A 33 3.180 3.401 -5.362 1.00 3.24 C ATOM 517 C ILE A 33 3.503 4.861 -5.060 1.00 14.32 C ATOM 518 O ILE A 33 4.628 5.199 -4.693 1.00 14.04 O ATOM 519 CB ILE A 33 3.428 2.536 -4.107 1.00 22.23 C ATOM 520 CG1 ILE A 33 3.280 1.048 -4.453 1.00 51.12 C ATOM 521 CG2 ILE A 33 2.466 2.930 -2.995 1.00 3.44 C ATOM 522 CD1 ILE A 33 3.380 0.119 -3.261 1.00 31.45 C ATOM 0 H ILE A 33 4.809 2.421 -6.232 1.00 14.35 H new ATOM 0 HA ILE A 33 2.127 3.312 -5.631 1.00 3.24 H new ATOM 0 HB ILE A 33 4.445 2.708 -3.755 1.00 22.23 H new ATOM 0 HG12 ILE A 33 2.317 0.894 -4.939 1.00 51.12 H new ATOM 0 HG13 ILE A 33 4.049 0.777 -5.176 1.00 51.12 H new ATOM 0 HG21 ILE A 33 2.652 2.312 -2.117 1.00 3.44 H new ATOM 0 HG22 ILE A 33 2.616 3.979 -2.739 1.00 3.44 H new ATOM 0 HG23 ILE A 33 1.440 2.782 -3.332 1.00 3.44 H new ATOM 0 HD11 ILE A 33 3.265 -0.913 -3.593 1.00 31.45 H new ATOM 0 HD12 ILE A 33 4.353 0.241 -2.786 1.00 31.45 H new ATOM 0 HD13 ILE A 33 2.594 0.360 -2.545 1.00 31.45 H new ATOM 534 N THR A 34 2.512 5.722 -5.232 1.00 3.43 N ATOM 535 CA THR A 34 2.695 7.155 -5.051 1.00 31.12 C ATOM 536 C THR A 34 1.589 7.742 -4.174 1.00 55.42 C ATOM 537 O THR A 34 0.743 7.011 -3.663 1.00 44.44 O ATOM 538 CB THR A 34 2.721 7.873 -6.415 1.00 3.10 C ATOM 539 OG1 THR A 34 1.736 7.295 -7.284 1.00 55.40 O ATOM 540 CG2 THR A 34 4.099 7.777 -7.060 1.00 12.45 C ATOM 0 H THR A 34 1.566 5.451 -5.499 1.00 3.43 H new ATOM 0 HA THR A 34 3.651 7.310 -4.551 1.00 31.12 H new ATOM 0 HB THR A 34 2.494 8.927 -6.252 1.00 3.10 H new ATOM 0 HG1 THR A 34 1.753 7.754 -8.150 1.00 55.40 H new ATOM 0 HG21 THR A 34 4.088 8.292 -8.021 1.00 12.45 H new ATOM 0 HG22 THR A 34 4.839 8.241 -6.408 1.00 12.45 H new ATOM 0 HG23 THR A 34 4.357 6.729 -7.213 1.00 12.45 H new ATOM 548 N ARG A 35 1.596 9.056 -3.994 1.00 23.54 N ATOM 549 CA ARG A 35 0.589 9.705 -3.170 1.00 73.10 C ATOM 550 C ARG A 35 -0.690 9.902 -3.968 1.00 33.41 C ATOM 551 O ARG A 35 -0.663 10.427 -5.079 1.00 21.43 O ATOM 552 CB ARG A 35 1.092 11.055 -2.653 1.00 52.21 C ATOM 553 CG ARG A 35 2.435 10.984 -1.946 1.00 53.43 C ATOM 554 CD ARG A 35 2.809 12.320 -1.330 1.00 24.44 C ATOM 555 NE ARG A 35 4.227 12.387 -0.974 1.00 44.42 N ATOM 556 CZ ARG A 35 4.694 12.901 0.161 1.00 23.23 C ATOM 557 NH1 ARG A 35 3.862 13.387 1.072 1.00 44.02 N ATOM 558 NH2 ARG A 35 6.000 12.945 0.378 1.00 25.23 N ATOM 0 H ARG A 35 2.283 9.688 -4.405 1.00 23.54 H new ATOM 0 HA ARG A 35 0.385 9.063 -2.313 1.00 73.10 H new ATOM 0 HB2 ARG A 35 1.170 11.747 -3.491 1.00 52.21 H new ATOM 0 HB3 ARG A 35 0.353 11.468 -1.967 1.00 52.21 H new ATOM 0 HG2 ARG A 35 2.399 10.221 -1.169 1.00 53.43 H new ATOM 0 HG3 ARG A 35 3.205 10.680 -2.655 1.00 53.43 H new ATOM 0 HD2 ARG A 35 2.574 13.120 -2.032 1.00 24.44 H new ATOM 0 HD3 ARG A 35 2.204 12.490 -0.439 1.00 24.44 H new ATOM 0 HE ARG A 35 4.903 12.015 -1.641 1.00 44.42 H new ATOM 0 HH11 ARG A 35 2.856 13.369 0.905 1.00 44.02 H new ATOM 0 HH12 ARG A 35 4.228 13.779 1.939 1.00 44.02 H new ATOM 0 HH21 ARG A 35 6.646 12.585 -0.324 1.00 25.23 H new ATOM 0 HH22 ARG A 35 6.360 13.339 1.248 1.00 25.23 H new ATOM 572 N GLY A 36 -1.803 9.469 -3.399 1.00 72.04 N ATOM 573 CA GLY A 36 -3.083 9.621 -4.054 1.00 30.14 C ATOM 574 C GLY A 36 -3.366 8.511 -5.044 1.00 61.44 C ATOM 575 O GLY A 36 -4.086 8.715 -6.022 1.00 44.25 O ATOM 0 H GLY A 36 -1.842 9.012 -2.488 1.00 72.04 H new ATOM 0 HA2 GLY A 36 -3.872 9.642 -3.302 1.00 30.14 H new ATOM 0 HA3 GLY A 36 -3.111 10.580 -4.571 1.00 30.14 H new ATOM 579 N CYS A 37 -2.790 7.339 -4.812 1.00 33.11 N ATOM 580 CA CYS A 37 -3.030 6.204 -5.683 1.00 2.12 C ATOM 581 C CYS A 37 -3.910 5.175 -4.988 1.00 63.32 C ATOM 582 O CYS A 37 -3.885 5.051 -3.758 1.00 54.50 O ATOM 583 CB CYS A 37 -1.711 5.562 -6.119 1.00 15.53 C ATOM 584 SG CYS A 37 -0.748 4.837 -4.774 1.00 75.23 S ATOM 0 H CYS A 37 -2.158 7.153 -4.033 1.00 33.11 H new ATOM 0 HA CYS A 37 -3.547 6.565 -6.572 1.00 2.12 H new ATOM 0 HB2 CYS A 37 -1.925 4.786 -6.854 1.00 15.53 H new ATOM 0 HB3 CYS A 37 -1.103 6.316 -6.619 1.00 15.53 H new ATOM 0 HG CYS A 37 -0.250 5.785 -4.037 1.00 75.23 H new ATOM 590 N GLU A 38 -4.697 4.466 -5.780 1.00 43.43 N ATOM 591 CA GLU A 38 -5.577 3.427 -5.271 1.00 61.22 C ATOM 592 C GLU A 38 -4.808 2.116 -5.130 1.00 45.32 C ATOM 593 O GLU A 38 -4.269 1.592 -6.104 1.00 40.12 O ATOM 594 CB GLU A 38 -6.767 3.250 -6.217 1.00 20.42 C ATOM 595 CG GLU A 38 -7.896 2.410 -5.646 1.00 64.41 C ATOM 596 CD GLU A 38 -9.026 2.220 -6.636 1.00 31.34 C ATOM 597 OE1 GLU A 38 -9.746 3.198 -6.919 1.00 5.14 O ATOM 598 OE2 GLU A 38 -9.192 1.092 -7.144 1.00 61.10 O ATOM 0 H GLU A 38 -4.744 4.594 -6.791 1.00 43.43 H new ATOM 0 HA GLU A 38 -5.949 3.718 -4.289 1.00 61.22 H new ATOM 0 HB2 GLU A 38 -7.158 4.233 -6.480 1.00 20.42 H new ATOM 0 HB3 GLU A 38 -6.417 2.789 -7.141 1.00 20.42 H new ATOM 0 HG2 GLU A 38 -7.507 1.436 -5.350 1.00 64.41 H new ATOM 0 HG3 GLU A 38 -8.281 2.887 -4.745 1.00 64.41 H new ATOM 606 N ILE A 39 -4.764 1.597 -3.915 1.00 40.52 N ATOM 607 CA ILE A 39 -3.981 0.412 -3.611 1.00 53.24 C ATOM 608 C ILE A 39 -4.890 -0.762 -3.261 1.00 71.10 C ATOM 609 O ILE A 39 -5.599 -0.732 -2.255 1.00 74.53 O ATOM 610 CB ILE A 39 -3.017 0.684 -2.432 1.00 14.11 C ATOM 611 CG1 ILE A 39 -1.976 1.734 -2.822 1.00 30.51 C ATOM 612 CG2 ILE A 39 -2.339 -0.594 -1.967 1.00 24.24 C ATOM 613 CD1 ILE A 39 -1.112 1.338 -3.999 1.00 1.43 C ATOM 0 H ILE A 39 -5.267 1.983 -3.116 1.00 40.52 H new ATOM 0 HA ILE A 39 -3.400 0.160 -4.498 1.00 53.24 H new ATOM 0 HB ILE A 39 -3.606 1.070 -1.600 1.00 14.11 H new ATOM 0 HG12 ILE A 39 -2.487 2.667 -3.058 1.00 30.51 H new ATOM 0 HG13 ILE A 39 -1.334 1.930 -1.963 1.00 30.51 H new ATOM 0 HG21 ILE A 39 -1.668 -0.369 -1.138 1.00 24.24 H new ATOM 0 HG22 ILE A 39 -3.094 -1.308 -1.639 1.00 24.24 H new ATOM 0 HG23 ILE A 39 -1.767 -1.023 -2.790 1.00 24.24 H new ATOM 0 HD11 ILE A 39 -0.400 2.135 -4.212 1.00 1.43 H new ATOM 0 HD12 ILE A 39 -0.571 0.422 -3.761 1.00 1.43 H new ATOM 0 HD13 ILE A 39 -1.742 1.171 -4.873 1.00 1.43 H new ATOM 625 N TYR A 40 -4.875 -1.786 -4.100 1.00 74.31 N ATOM 626 CA TYR A 40 -5.612 -3.013 -3.822 1.00 42.22 C ATOM 627 C TYR A 40 -4.653 -4.104 -3.373 1.00 50.00 C ATOM 628 O TYR A 40 -3.696 -4.427 -4.079 1.00 3.22 O ATOM 629 CB TYR A 40 -6.391 -3.489 -5.054 1.00 41.44 C ATOM 630 CG TYR A 40 -7.117 -4.798 -4.827 1.00 71.20 C ATOM 631 CD1 TYR A 40 -8.345 -4.833 -4.181 1.00 63.15 C ATOM 632 CD2 TYR A 40 -6.566 -6.002 -5.252 1.00 34.54 C ATOM 633 CE1 TYR A 40 -8.998 -6.031 -3.955 1.00 64.11 C ATOM 634 CE2 TYR A 40 -7.214 -7.200 -5.035 1.00 5.40 C ATOM 635 CZ TYR A 40 -8.429 -7.209 -4.388 1.00 54.33 C ATOM 636 OH TYR A 40 -9.071 -8.406 -4.160 1.00 3.23 O ATOM 0 H TYR A 40 -4.360 -1.794 -4.981 1.00 74.31 H new ATOM 0 HA TYR A 40 -6.327 -2.801 -3.027 1.00 42.22 H new ATOM 0 HB2 TYR A 40 -7.114 -2.724 -5.338 1.00 41.44 H new ATOM 0 HB3 TYR A 40 -5.702 -3.603 -5.891 1.00 41.44 H new ATOM 0 HD1 TYR A 40 -8.798 -3.910 -3.850 1.00 63.15 H new ATOM 0 HD2 TYR A 40 -5.614 -5.999 -5.761 1.00 34.54 H new ATOM 0 HE1 TYR A 40 -9.948 -6.043 -3.442 1.00 64.11 H new ATOM 0 HE2 TYR A 40 -6.771 -8.126 -5.371 1.00 5.40 H new ATOM 0 HH TYR A 40 -8.536 -9.140 -4.530 1.00 3.23 H new ATOM 646 N ILE A 41 -4.913 -4.674 -2.206 1.00 70.43 N ATOM 647 CA ILE A 41 -4.045 -5.703 -1.657 1.00 65.00 C ATOM 648 C ILE A 41 -4.510 -7.090 -2.093 1.00 74.35 C ATOM 649 O ILE A 41 -5.630 -7.509 -1.791 1.00 63.24 O ATOM 650 CB ILE A 41 -3.992 -5.636 -0.114 1.00 53.13 C ATOM 651 CG1 ILE A 41 -3.685 -4.209 0.341 1.00 35.44 C ATOM 652 CG2 ILE A 41 -2.940 -6.595 0.433 1.00 11.34 C ATOM 653 CD1 ILE A 41 -2.322 -3.708 -0.095 1.00 65.34 C ATOM 0 H ILE A 41 -5.717 -4.442 -1.622 1.00 70.43 H new ATOM 0 HA ILE A 41 -3.043 -5.521 -2.044 1.00 65.00 H new ATOM 0 HB ILE A 41 -4.966 -5.933 0.275 1.00 53.13 H new ATOM 0 HG12 ILE A 41 -4.451 -3.540 -0.052 1.00 35.44 H new ATOM 0 HG13 ILE A 41 -3.748 -4.163 1.428 1.00 35.44 H new ATOM 0 HG21 ILE A 41 -2.920 -6.531 1.521 1.00 11.34 H new ATOM 0 HG22 ILE A 41 -3.186 -7.614 0.134 1.00 11.34 H new ATOM 0 HG23 ILE A 41 -1.961 -6.326 0.036 1.00 11.34 H new ATOM 0 HD11 ILE A 41 -2.177 -2.689 0.265 1.00 65.34 H new ATOM 0 HD12 ILE A 41 -1.547 -4.353 0.320 1.00 65.34 H new ATOM 0 HD13 ILE A 41 -2.261 -3.721 -1.183 1.00 65.34 H new ATOM 665 N ARG A 42 -3.641 -7.790 -2.811 1.00 72.13 N ATOM 666 CA ARG A 42 -3.927 -9.136 -3.288 1.00 12.21 C ATOM 667 C ARG A 42 -3.841 -10.135 -2.146 1.00 34.32 C ATOM 668 O ARG A 42 -4.798 -10.851 -1.860 1.00 64.12 O ATOM 669 CB ARG A 42 -2.934 -9.548 -4.382 1.00 30.51 C ATOM 670 CG ARG A 42 -3.089 -8.795 -5.691 1.00 61.51 C ATOM 671 CD ARG A 42 -4.380 -9.165 -6.398 1.00 43.04 C ATOM 672 NE ARG A 42 -4.426 -8.622 -7.751 1.00 74.24 N ATOM 673 CZ ARG A 42 -5.534 -8.523 -8.481 1.00 63.42 C ATOM 674 NH1 ARG A 42 -6.689 -8.973 -8.009 1.00 52.00 N ATOM 675 NH2 ARG A 42 -5.479 -7.994 -9.693 1.00 62.12 N ATOM 0 H ARG A 42 -2.720 -7.441 -3.078 1.00 72.13 H new ATOM 0 HA ARG A 42 -4.937 -9.134 -3.698 1.00 12.21 H new ATOM 0 HB2 ARG A 42 -1.921 -9.399 -4.010 1.00 30.51 H new ATOM 0 HB3 ARG A 42 -3.048 -10.615 -4.576 1.00 30.51 H new ATOM 0 HG2 ARG A 42 -3.073 -7.722 -5.499 1.00 61.51 H new ATOM 0 HG3 ARG A 42 -2.242 -9.015 -6.341 1.00 61.51 H new ATOM 0 HD2 ARG A 42 -4.476 -10.250 -6.437 1.00 43.04 H new ATOM 0 HD3 ARG A 42 -5.229 -8.791 -5.826 1.00 43.04 H new ATOM 0 HE ARG A 42 -3.552 -8.297 -8.164 1.00 74.24 H new ATOM 0 HH11 ARG A 42 -6.731 -9.397 -7.082 1.00 52.00 H new ATOM 0 HH12 ARG A 42 -7.536 -8.895 -8.573 1.00 52.00 H new ATOM 0 HH21 ARG A 42 -4.589 -7.663 -10.065 1.00 62.12 H new ATOM 0 HH22 ARG A 42 -6.327 -7.917 -10.255 1.00 62.12 H new ATOM 689 N LYS A 43 -2.687 -10.167 -1.492 1.00 32.23 N ATOM 690 CA LYS A 43 -2.413 -11.159 -0.465 1.00 51.44 C ATOM 691 C LYS A 43 -1.502 -10.593 0.618 1.00 13.52 C ATOM 692 O LYS A 43 -0.534 -9.893 0.321 1.00 61.21 O ATOM 693 CB LYS A 43 -1.744 -12.389 -1.091 1.00 53.32 C ATOM 694 CG LYS A 43 -1.202 -13.371 -0.064 1.00 40.51 C ATOM 695 CD LYS A 43 -0.249 -14.379 -0.687 1.00 31.14 C ATOM 696 CE LYS A 43 0.451 -15.205 0.382 1.00 75.23 C ATOM 697 NZ LYS A 43 1.414 -16.182 -0.196 1.00 24.13 N ATOM 0 H LYS A 43 -1.923 -9.512 -1.657 1.00 32.23 H new ATOM 0 HA LYS A 43 -3.363 -11.442 -0.011 1.00 51.44 H new ATOM 0 HB2 LYS A 43 -2.466 -12.902 -1.727 1.00 53.32 H new ATOM 0 HB3 LYS A 43 -0.928 -12.061 -1.735 1.00 53.32 H new ATOM 0 HG2 LYS A 43 -0.686 -12.823 0.724 1.00 40.51 H new ATOM 0 HG3 LYS A 43 -2.032 -13.899 0.406 1.00 40.51 H new ATOM 0 HD2 LYS A 43 -0.800 -15.038 -1.358 1.00 31.14 H new ATOM 0 HD3 LYS A 43 0.493 -13.857 -1.291 1.00 31.14 H new ATOM 0 HE2 LYS A 43 0.979 -14.539 1.064 1.00 75.23 H new ATOM 0 HE3 LYS A 43 -0.295 -15.739 0.971 1.00 75.23 H new ATOM 0 HZ1 LYS A 43 1.865 -16.720 0.571 1.00 24.13 H new ATOM 0 HZ2 LYS A 43 0.908 -16.836 -0.827 1.00 24.13 H new ATOM 0 HZ3 LYS A 43 2.142 -15.673 -0.737 1.00 24.13 H new ATOM 711 N VAL A 44 -1.820 -10.898 1.866 1.00 40.33 N ATOM 712 CA VAL A 44 -0.931 -10.604 2.977 1.00 73.34 C ATOM 713 C VAL A 44 -0.439 -11.915 3.571 1.00 33.44 C ATOM 714 O VAL A 44 -1.243 -12.768 3.951 1.00 24.30 O ATOM 715 CB VAL A 44 -1.628 -9.776 4.077 1.00 14.24 C ATOM 716 CG1 VAL A 44 -0.662 -9.456 5.211 1.00 71.11 C ATOM 717 CG2 VAL A 44 -2.214 -8.497 3.497 1.00 70.40 C ATOM 0 H VAL A 44 -2.693 -11.352 2.135 1.00 40.33 H new ATOM 0 HA VAL A 44 -0.099 -10.011 2.596 1.00 73.34 H new ATOM 0 HB VAL A 44 -2.443 -10.374 4.484 1.00 14.24 H new ATOM 0 HG11 VAL A 44 -1.177 -8.872 5.974 1.00 71.11 H new ATOM 0 HG12 VAL A 44 -0.296 -10.384 5.650 1.00 71.11 H new ATOM 0 HG13 VAL A 44 0.179 -8.883 4.821 1.00 71.11 H new ATOM 0 HG21 VAL A 44 -2.701 -7.928 4.289 1.00 70.40 H new ATOM 0 HG22 VAL A 44 -1.416 -7.898 3.057 1.00 70.40 H new ATOM 0 HG23 VAL A 44 -2.945 -8.748 2.728 1.00 70.40 H new ATOM 727 N ALA A 45 0.874 -12.086 3.625 1.00 45.54 N ATOM 728 CA ALA A 45 1.456 -13.321 4.122 1.00 34.13 C ATOM 729 C ALA A 45 1.278 -13.429 5.632 1.00 13.14 C ATOM 730 O ALA A 45 1.338 -12.424 6.338 1.00 34.33 O ATOM 731 CB ALA A 45 2.930 -13.398 3.751 1.00 45.40 C ATOM 0 H ALA A 45 1.554 -11.385 3.331 1.00 45.54 H new ATOM 0 HA ALA A 45 0.937 -14.159 3.656 1.00 34.13 H new ATOM 0 HB1 ALA A 45 3.352 -14.329 4.130 1.00 45.40 H new ATOM 0 HB2 ALA A 45 3.034 -13.367 2.666 1.00 45.40 H new ATOM 0 HB3 ALA A 45 3.460 -12.553 4.190 1.00 45.40 H new ATOM 737 N PRO A 46 1.058 -14.651 6.146 1.00 11.21 N ATOM 738 CA PRO A 46 0.889 -14.894 7.585 1.00 23.00 C ATOM 739 C PRO A 46 2.138 -14.525 8.386 1.00 2.21 C ATOM 740 O PRO A 46 2.069 -14.273 9.591 1.00 73.34 O ATOM 741 CB PRO A 46 0.625 -16.404 7.671 1.00 52.33 C ATOM 742 CG PRO A 46 0.194 -16.802 6.303 1.00 63.33 C ATOM 743 CD PRO A 46 0.931 -15.892 5.364 1.00 44.31 C ATOM 0 HA PRO A 46 0.088 -14.286 8.006 1.00 23.00 H new ATOM 0 HB2 PRO A 46 1.522 -16.944 7.974 1.00 52.33 H new ATOM 0 HB3 PRO A 46 -0.146 -16.628 8.408 1.00 52.33 H new ATOM 0 HG2 PRO A 46 0.434 -17.847 6.105 1.00 63.33 H new ATOM 0 HG3 PRO A 46 -0.884 -16.695 6.186 1.00 63.33 H new ATOM 0 HD2 PRO A 46 1.904 -16.298 5.088 1.00 44.31 H new ATOM 0 HD3 PRO A 46 0.378 -15.732 4.438 1.00 44.31 H new ATOM 751 N LEU A 47 3.275 -14.497 7.704 1.00 13.01 N ATOM 752 CA LEU A 47 4.536 -14.104 8.321 1.00 43.51 C ATOM 753 C LEU A 47 4.623 -12.579 8.397 1.00 63.01 C ATOM 754 O LEU A 47 5.393 -12.022 9.178 1.00 64.34 O ATOM 755 CB LEU A 47 5.713 -14.690 7.519 1.00 72.40 C ATOM 756 CG LEU A 47 7.117 -14.473 8.108 1.00 72.22 C ATOM 757 CD1 LEU A 47 8.020 -15.647 7.759 1.00 4.32 C ATOM 758 CD2 LEU A 47 7.735 -13.181 7.584 1.00 34.22 C ATOM 0 H LEU A 47 3.350 -14.743 6.717 1.00 13.01 H new ATOM 0 HA LEU A 47 4.586 -14.498 9.336 1.00 43.51 H new ATOM 0 HB2 LEU A 47 5.551 -15.762 7.408 1.00 72.40 H new ATOM 0 HB3 LEU A 47 5.692 -14.260 6.518 1.00 72.40 H new ATOM 0 HG LEU A 47 7.020 -14.399 9.191 1.00 72.22 H new ATOM 0 HD11 LEU A 47 9.011 -15.482 8.181 1.00 4.32 H new ATOM 0 HD12 LEU A 47 7.599 -16.565 8.170 1.00 4.32 H new ATOM 0 HD13 LEU A 47 8.098 -15.737 6.675 1.00 4.32 H new ATOM 0 HD21 LEU A 47 8.727 -13.051 8.016 1.00 34.22 H new ATOM 0 HD22 LEU A 47 7.815 -13.230 6.498 1.00 34.22 H new ATOM 0 HD23 LEU A 47 7.105 -12.337 7.863 1.00 34.22 H new ATOM 770 N GLY A 48 3.800 -11.917 7.597 1.00 53.41 N ATOM 771 CA GLY A 48 3.806 -10.471 7.545 1.00 55.25 C ATOM 772 C GLY A 48 4.080 -9.964 6.147 1.00 11.43 C ATOM 773 O GLY A 48 3.428 -9.036 5.676 1.00 42.00 O ATOM 0 H GLY A 48 3.122 -12.361 6.978 1.00 53.41 H new ATOM 0 HA2 GLY A 48 2.844 -10.090 7.888 1.00 55.25 H new ATOM 0 HA3 GLY A 48 4.563 -10.085 8.227 1.00 55.25 H new ATOM 777 N ASP A 49 5.040 -10.586 5.481 1.00 74.03 N ATOM 778 CA ASP A 49 5.408 -10.201 4.126 1.00 60.11 C ATOM 779 C ASP A 49 6.052 -11.390 3.417 1.00 43.11 C ATOM 780 O ASP A 49 6.392 -12.382 4.071 1.00 73.12 O ATOM 781 CB ASP A 49 6.365 -9.001 4.148 1.00 50.13 C ATOM 782 CG ASP A 49 7.798 -9.374 4.473 1.00 61.54 C ATOM 783 OD1 ASP A 49 8.051 -9.922 5.566 1.00 70.00 O ATOM 784 OD2 ASP A 49 8.683 -9.092 3.643 1.00 22.44 O ATOM 0 H ASP A 49 5.581 -11.364 5.858 1.00 74.03 H new ATOM 0 HA ASP A 49 4.511 -9.905 3.582 1.00 60.11 H new ATOM 0 HB2 ASP A 49 6.338 -8.508 3.176 1.00 50.13 H new ATOM 0 HB3 ASP A 49 6.011 -8.278 4.883 1.00 50.13 H new ATOM 790 N PRO A 50 6.241 -11.325 2.085 1.00 22.14 N ATOM 791 CA PRO A 50 5.912 -10.149 1.267 1.00 32.53 C ATOM 792 C PRO A 50 4.409 -9.910 1.114 1.00 53.22 C ATOM 793 O PRO A 50 3.608 -10.846 1.088 1.00 30.32 O ATOM 794 CB PRO A 50 6.532 -10.475 -0.093 1.00 20.21 C ATOM 795 CG PRO A 50 6.570 -11.960 -0.143 1.00 42.45 C ATOM 796 CD PRO A 50 6.810 -12.414 1.270 1.00 54.44 C ATOM 0 HA PRO A 50 6.289 -9.236 1.728 1.00 32.53 H new ATOM 0 HB2 PRO A 50 5.935 -10.066 -0.909 1.00 20.21 H new ATOM 0 HB3 PRO A 50 7.531 -10.050 -0.185 1.00 20.21 H new ATOM 0 HG2 PRO A 50 5.633 -12.362 -0.529 1.00 42.45 H new ATOM 0 HG3 PRO A 50 7.363 -12.308 -0.805 1.00 42.45 H new ATOM 0 HD2 PRO A 50 6.320 -13.366 1.474 1.00 54.44 H new ATOM 0 HD3 PRO A 50 7.872 -12.553 1.472 1.00 54.44 H new ATOM 804 N ILE A 51 4.045 -8.644 1.014 1.00 15.33 N ATOM 805 CA ILE A 51 2.667 -8.246 0.794 1.00 24.31 C ATOM 806 C ILE A 51 2.437 -8.056 -0.699 1.00 4.15 C ATOM 807 O ILE A 51 3.249 -7.430 -1.379 1.00 41.15 O ATOM 808 CB ILE A 51 2.339 -6.935 1.553 1.00 2.55 C ATOM 809 CG1 ILE A 51 2.496 -7.146 3.062 1.00 63.23 C ATOM 810 CG2 ILE A 51 0.936 -6.443 1.222 1.00 62.00 C ATOM 811 CD1 ILE A 51 2.198 -5.910 3.886 1.00 61.42 C ATOM 0 H ILE A 51 4.697 -7.863 1.083 1.00 15.33 H new ATOM 0 HA ILE A 51 2.009 -9.027 1.175 1.00 24.31 H new ATOM 0 HB ILE A 51 3.043 -6.168 1.230 1.00 2.55 H new ATOM 0 HG12 ILE A 51 1.832 -7.951 3.378 1.00 63.23 H new ATOM 0 HG13 ILE A 51 3.515 -7.473 3.270 1.00 63.23 H new ATOM 0 HG21 ILE A 51 0.735 -5.522 1.769 1.00 62.00 H new ATOM 0 HG22 ILE A 51 0.860 -6.253 0.151 1.00 62.00 H new ATOM 0 HG23 ILE A 51 0.207 -7.202 1.508 1.00 62.00 H new ATOM 0 HD11 ILE A 51 2.331 -6.137 4.944 1.00 61.42 H new ATOM 0 HD12 ILE A 51 2.879 -5.109 3.599 1.00 61.42 H new ATOM 0 HD13 ILE A 51 1.170 -5.594 3.709 1.00 61.42 H new ATOM 823 N GLN A 52 1.358 -8.629 -1.212 1.00 62.40 N ATOM 824 CA GLN A 52 1.064 -8.570 -2.637 1.00 2.35 C ATOM 825 C GLN A 52 0.054 -7.470 -2.928 1.00 21.12 C ATOM 826 O GLN A 52 -1.048 -7.477 -2.388 1.00 74.04 O ATOM 827 CB GLN A 52 0.519 -9.916 -3.122 1.00 52.44 C ATOM 828 CG GLN A 52 1.451 -11.092 -2.863 1.00 64.43 C ATOM 829 CD GLN A 52 2.749 -10.990 -3.639 1.00 11.53 C ATOM 830 OE1 GLN A 52 2.850 -11.473 -4.765 1.00 62.34 O ATOM 831 NE2 GLN A 52 3.753 -10.366 -3.045 1.00 64.21 N ATOM 0 H GLN A 52 0.670 -9.142 -0.661 1.00 62.40 H new ATOM 0 HA GLN A 52 1.989 -8.348 -3.169 1.00 2.35 H new ATOM 0 HB2 GLN A 52 -0.436 -10.108 -2.632 1.00 52.44 H new ATOM 0 HB3 GLN A 52 0.321 -9.852 -4.192 1.00 52.44 H new ATOM 0 HG2 GLN A 52 1.673 -11.147 -1.797 1.00 64.43 H new ATOM 0 HG3 GLN A 52 0.944 -12.019 -3.131 1.00 64.43 H new ATOM 0 HE21 GLN A 52 3.631 -9.978 -2.110 1.00 64.21 H new ATOM 0 HE22 GLN A 52 4.650 -10.273 -3.522 1.00 64.21 H new ATOM 840 N ILE A 53 0.436 -6.525 -3.773 1.00 51.31 N ATOM 841 CA ILE A 53 -0.448 -5.429 -4.149 1.00 1.31 C ATOM 842 C ILE A 53 -0.664 -5.437 -5.660 1.00 53.14 C ATOM 843 O ILE A 53 0.137 -6.004 -6.397 1.00 3.14 O ATOM 844 CB ILE A 53 0.121 -4.040 -3.745 1.00 20.34 C ATOM 845 CG1 ILE A 53 0.716 -4.058 -2.335 1.00 4.32 C ATOM 846 CG2 ILE A 53 -0.958 -2.976 -3.831 1.00 62.41 C ATOM 847 CD1 ILE A 53 2.164 -4.492 -2.291 1.00 55.11 C ATOM 0 H ILE A 53 1.355 -6.494 -4.214 1.00 51.31 H new ATOM 0 HA ILE A 53 -1.386 -5.583 -3.616 1.00 1.31 H new ATOM 0 HB ILE A 53 0.920 -3.803 -4.447 1.00 20.34 H new ATOM 0 HG12 ILE A 53 0.631 -3.061 -1.902 1.00 4.32 H new ATOM 0 HG13 ILE A 53 0.126 -4.728 -1.710 1.00 4.32 H new ATOM 0 HG21 ILE A 53 -0.541 -2.011 -3.544 1.00 62.41 H new ATOM 0 HG22 ILE A 53 -1.333 -2.920 -4.853 1.00 62.41 H new ATOM 0 HG23 ILE A 53 -1.776 -3.232 -3.158 1.00 62.41 H new ATOM 0 HD11 ILE A 53 2.516 -4.480 -1.260 1.00 55.11 H new ATOM 0 HD12 ILE A 53 2.254 -5.501 -2.693 1.00 55.11 H new ATOM 0 HD13 ILE A 53 2.767 -3.808 -2.888 1.00 55.11 H new ATOM 859 N ASN A 54 -1.746 -4.821 -6.108 1.00 11.03 N ATOM 860 CA ASN A 54 -1.987 -4.629 -7.532 1.00 25.10 C ATOM 861 C ASN A 54 -2.062 -3.139 -7.843 1.00 4.33 C ATOM 862 O ASN A 54 -3.005 -2.455 -7.436 1.00 61.41 O ATOM 863 CB ASN A 54 -3.281 -5.315 -7.982 1.00 22.24 C ATOM 864 CG ASN A 54 -3.515 -5.174 -9.478 1.00 61.33 C ATOM 865 OD1 ASN A 54 -4.129 -4.214 -9.941 1.00 40.21 O ATOM 866 ND2 ASN A 54 -3.036 -6.137 -10.247 1.00 31.30 N ATOM 0 H ASN A 54 -2.476 -4.443 -5.504 1.00 11.03 H new ATOM 0 HA ASN A 54 -1.159 -5.082 -8.077 1.00 25.10 H new ATOM 0 HB2 ASN A 54 -3.240 -6.372 -7.720 1.00 22.24 H new ATOM 0 HB3 ASN A 54 -4.125 -4.886 -7.442 1.00 22.24 H new ATOM 0 HD21 ASN A 54 -3.171 -6.098 -11.257 1.00 31.30 H new ATOM 0 HD22 ASN A 54 -2.531 -6.919 -9.830 1.00 31.30 H new ATOM 873 N VAL A 55 -1.056 -2.639 -8.540 1.00 13.11 N ATOM 874 CA VAL A 55 -1.002 -1.235 -8.918 1.00 62.35 C ATOM 875 C VAL A 55 -0.708 -1.128 -10.404 1.00 32.30 C ATOM 876 O VAL A 55 0.218 -1.770 -10.892 1.00 64.52 O ATOM 877 CB VAL A 55 0.085 -0.469 -8.129 1.00 52.30 C ATOM 878 CG1 VAL A 55 0.063 1.012 -8.476 1.00 25.43 C ATOM 879 CG2 VAL A 55 -0.091 -0.669 -6.633 1.00 51.12 C ATOM 0 H VAL A 55 -0.258 -3.189 -8.858 1.00 13.11 H new ATOM 0 HA VAL A 55 -1.968 -0.787 -8.684 1.00 62.35 H new ATOM 0 HB VAL A 55 1.056 -0.873 -8.416 1.00 52.30 H new ATOM 0 HG11 VAL A 55 0.836 1.530 -7.909 1.00 25.43 H new ATOM 0 HG12 VAL A 55 0.249 1.139 -9.543 1.00 25.43 H new ATOM 0 HG13 VAL A 55 -0.912 1.430 -8.226 1.00 25.43 H new ATOM 0 HG21 VAL A 55 0.685 -0.121 -6.099 1.00 51.12 H new ATOM 0 HG22 VAL A 55 -1.071 -0.300 -6.329 1.00 51.12 H new ATOM 0 HG23 VAL A 55 -0.014 -1.730 -6.396 1.00 51.12 H new ATOM 889 N ARG A 56 -1.519 -0.349 -11.122 1.00 32.42 N ATOM 890 CA ARG A 56 -1.344 -0.165 -12.568 1.00 24.53 C ATOM 891 C ARG A 56 -1.554 -1.489 -13.303 1.00 74.10 C ATOM 892 O ARG A 56 -1.122 -1.661 -14.443 1.00 44.24 O ATOM 893 CB ARG A 56 0.057 0.389 -12.872 1.00 35.10 C ATOM 894 CG ARG A 56 0.354 1.714 -12.185 1.00 53.33 C ATOM 895 CD ARG A 56 -0.269 2.889 -12.923 1.00 15.01 C ATOM 896 NE ARG A 56 -0.959 3.811 -12.022 1.00 42.13 N ATOM 897 CZ ARG A 56 -0.358 4.747 -11.287 1.00 23.34 C ATOM 898 NH1 ARG A 56 0.966 4.863 -11.282 1.00 74.51 N ATOM 899 NH2 ARG A 56 -1.094 5.564 -10.544 1.00 41.01 N ATOM 0 H ARG A 56 -2.306 0.166 -10.727 1.00 32.42 H new ATOM 0 HA ARG A 56 -2.088 0.552 -12.916 1.00 24.53 H new ATOM 0 HB2 ARG A 56 0.802 -0.344 -12.565 1.00 35.10 H new ATOM 0 HB3 ARG A 56 0.161 0.517 -13.949 1.00 35.10 H new ATOM 0 HG2 ARG A 56 -0.024 1.686 -11.163 1.00 53.33 H new ATOM 0 HG3 ARG A 56 1.433 1.856 -12.122 1.00 53.33 H new ATOM 0 HD2 ARG A 56 0.509 3.428 -13.464 1.00 15.01 H new ATOM 0 HD3 ARG A 56 -0.974 2.515 -13.666 1.00 15.01 H new ATOM 0 HE ARG A 56 -1.973 3.732 -11.951 1.00 42.13 H new ATOM 0 HH11 ARG A 56 1.535 4.231 -11.845 1.00 74.51 H new ATOM 0 HH12 ARG A 56 1.413 5.584 -10.715 1.00 74.51 H new ATOM 0 HH21 ARG A 56 -2.110 5.473 -10.539 1.00 41.01 H new ATOM 0 HH22 ARG A 56 -0.644 6.283 -9.978 1.00 41.01 H new ATOM 913 N GLY A 57 -2.228 -2.423 -12.638 1.00 53.23 N ATOM 914 CA GLY A 57 -2.438 -3.743 -13.204 1.00 63.44 C ATOM 915 C GLY A 57 -1.240 -4.648 -12.996 1.00 35.35 C ATOM 916 O GLY A 57 -1.189 -5.759 -13.525 1.00 24.43 O ATOM 0 H GLY A 57 -2.634 -2.287 -11.712 1.00 53.23 H new ATOM 0 HA2 GLY A 57 -3.318 -4.197 -12.749 1.00 63.44 H new ATOM 0 HA3 GLY A 57 -2.642 -3.652 -14.271 1.00 63.44 H new ATOM 920 N TYR A 58 -0.276 -4.172 -12.225 1.00 54.54 N ATOM 921 CA TYR A 58 0.943 -4.919 -11.958 1.00 2.13 C ATOM 922 C TYR A 58 0.933 -5.447 -10.525 1.00 63.44 C ATOM 923 O TYR A 58 0.667 -4.695 -9.585 1.00 61.34 O ATOM 924 CB TYR A 58 2.159 -4.007 -12.156 1.00 71.54 C ATOM 925 CG TYR A 58 3.162 -4.506 -13.172 1.00 13.14 C ATOM 926 CD1 TYR A 58 4.148 -5.418 -12.815 1.00 35.34 C ATOM 927 CD2 TYR A 58 3.136 -4.048 -14.483 1.00 20.11 C ATOM 928 CE1 TYR A 58 5.072 -5.864 -13.740 1.00 4.33 C ATOM 929 CE2 TYR A 58 4.058 -4.487 -15.413 1.00 44.25 C ATOM 930 CZ TYR A 58 5.025 -5.394 -15.036 1.00 42.21 C ATOM 931 OH TYR A 58 5.951 -5.833 -15.958 1.00 34.25 O ATOM 0 H TYR A 58 -0.315 -3.261 -11.768 1.00 54.54 H new ATOM 0 HA TYR A 58 1.000 -5.761 -12.648 1.00 2.13 H new ATOM 0 HB2 TYR A 58 1.811 -3.021 -12.463 1.00 71.54 H new ATOM 0 HB3 TYR A 58 2.663 -3.883 -11.198 1.00 71.54 H new ATOM 0 HD1 TYR A 58 4.193 -5.783 -11.800 1.00 35.34 H new ATOM 0 HD2 TYR A 58 2.381 -3.335 -14.781 1.00 20.11 H new ATOM 0 HE1 TYR A 58 5.828 -6.578 -13.450 1.00 4.33 H new ATOM 0 HE2 TYR A 58 4.021 -4.122 -16.429 1.00 44.25 H new ATOM 0 HH TYR A 58 5.778 -5.407 -16.823 1.00 34.25 H new ATOM 941 N GLU A 59 1.210 -6.737 -10.360 1.00 43.45 N ATOM 942 CA GLU A 59 1.381 -7.304 -9.030 1.00 4.21 C ATOM 943 C GLU A 59 2.717 -6.870 -8.456 1.00 52.14 C ATOM 944 O GLU A 59 3.740 -6.894 -9.143 1.00 24.31 O ATOM 945 CB GLU A 59 1.307 -8.831 -9.060 1.00 12.12 C ATOM 946 CG GLU A 59 -0.048 -9.400 -8.665 1.00 41.43 C ATOM 947 CD GLU A 59 -1.188 -8.880 -9.511 1.00 32.23 C ATOM 948 OE1 GLU A 59 -2.070 -8.189 -8.964 1.00 44.35 O ATOM 949 OE2 GLU A 59 -1.216 -9.168 -10.725 1.00 10.11 O ATOM 0 H GLU A 59 1.320 -7.403 -11.125 1.00 43.45 H new ATOM 0 HA GLU A 59 0.570 -6.937 -8.400 1.00 4.21 H new ATOM 0 HB2 GLU A 59 1.554 -9.175 -10.064 1.00 12.12 H new ATOM 0 HB3 GLU A 59 2.066 -9.233 -8.389 1.00 12.12 H new ATOM 0 HG2 GLU A 59 -0.014 -10.487 -8.743 1.00 41.43 H new ATOM 0 HG3 GLU A 59 -0.243 -9.161 -7.619 1.00 41.43 H new ATOM 957 N LEU A 60 2.699 -6.469 -7.203 1.00 31.12 N ATOM 958 CA LEU A 60 3.895 -5.983 -6.536 1.00 0.21 C ATOM 959 C LEU A 60 4.130 -6.733 -5.235 1.00 12.52 C ATOM 960 O LEU A 60 3.196 -6.962 -4.465 1.00 1.21 O ATOM 961 CB LEU A 60 3.770 -4.485 -6.247 1.00 32.22 C ATOM 962 CG LEU A 60 3.544 -3.598 -7.470 1.00 23.11 C ATOM 963 CD1 LEU A 60 3.343 -2.156 -7.046 1.00 13.15 C ATOM 964 CD2 LEU A 60 4.710 -3.708 -8.441 1.00 73.23 C ATOM 0 H LEU A 60 1.863 -6.469 -6.619 1.00 31.12 H new ATOM 0 HA LEU A 60 4.744 -6.154 -7.199 1.00 0.21 H new ATOM 0 HB2 LEU A 60 2.944 -4.334 -5.552 1.00 32.22 H new ATOM 0 HB3 LEU A 60 4.677 -4.153 -5.741 1.00 32.22 H new ATOM 0 HG LEU A 60 2.643 -3.941 -7.979 1.00 23.11 H new ATOM 0 HD11 LEU A 60 3.183 -1.536 -7.928 1.00 13.15 H new ATOM 0 HD12 LEU A 60 2.474 -2.087 -6.392 1.00 13.15 H new ATOM 0 HD13 LEU A 60 4.227 -1.807 -6.513 1.00 13.15 H new ATOM 0 HD21 LEU A 60 4.527 -3.068 -9.304 1.00 73.23 H new ATOM 0 HD22 LEU A 60 5.628 -3.394 -7.944 1.00 73.23 H new ATOM 0 HD23 LEU A 60 4.812 -4.742 -8.771 1.00 73.23 H new ATOM 976 N SER A 61 5.371 -7.131 -5.006 1.00 51.52 N ATOM 977 CA SER A 61 5.762 -7.721 -3.738 1.00 74.54 C ATOM 978 C SER A 61 6.415 -6.663 -2.856 1.00 52.24 C ATOM 979 O SER A 61 7.545 -6.245 -3.106 1.00 65.44 O ATOM 980 CB SER A 61 6.724 -8.889 -3.964 1.00 13.23 C ATOM 981 OG SER A 61 6.099 -9.933 -4.695 1.00 32.33 O ATOM 0 H SER A 61 6.127 -7.055 -5.686 1.00 51.52 H new ATOM 0 HA SER A 61 4.871 -8.102 -3.238 1.00 74.54 H new ATOM 0 HB2 SER A 61 7.604 -8.540 -4.504 1.00 13.23 H new ATOM 0 HB3 SER A 61 7.070 -9.270 -3.003 1.00 13.23 H new ATOM 0 HG SER A 61 6.736 -10.666 -4.827 1.00 32.33 H new ATOM 987 N LEU A 62 5.702 -6.218 -1.835 1.00 45.31 N ATOM 988 CA LEU A 62 6.219 -5.188 -0.949 1.00 41.24 C ATOM 989 C LEU A 62 6.613 -5.787 0.393 1.00 54.00 C ATOM 990 O LEU A 62 5.952 -6.689 0.905 1.00 52.43 O ATOM 991 CB LEU A 62 5.181 -4.081 -0.745 1.00 14.45 C ATOM 992 CG LEU A 62 5.623 -2.919 0.147 1.00 44.13 C ATOM 993 CD1 LEU A 62 6.815 -2.195 -0.463 1.00 11.14 C ATOM 994 CD2 LEU A 62 4.465 -1.957 0.368 1.00 52.10 C ATOM 0 H LEU A 62 4.767 -6.552 -1.599 1.00 45.31 H new ATOM 0 HA LEU A 62 7.105 -4.754 -1.413 1.00 41.24 H new ATOM 0 HB2 LEU A 62 4.905 -3.682 -1.721 1.00 14.45 H new ATOM 0 HB3 LEU A 62 4.283 -4.524 -0.316 1.00 14.45 H new ATOM 0 HG LEU A 62 5.930 -3.320 1.113 1.00 44.13 H new ATOM 0 HD11 LEU A 62 7.113 -1.373 0.187 1.00 11.14 H new ATOM 0 HD12 LEU A 62 7.647 -2.891 -0.572 1.00 11.14 H new ATOM 0 HD13 LEU A 62 6.540 -1.802 -1.442 1.00 11.14 H new ATOM 0 HD21 LEU A 62 4.792 -1.134 1.004 1.00 52.10 H new ATOM 0 HD22 LEU A 62 4.131 -1.563 -0.592 1.00 52.10 H new ATOM 0 HD23 LEU A 62 3.641 -2.484 0.850 1.00 52.10 H new ATOM 1006 N ARG A 63 7.705 -5.288 0.947 1.00 52.03 N ATOM 1007 CA ARG A 63 8.167 -5.713 2.256 1.00 30.32 C ATOM 1008 C ARG A 63 7.341 -5.032 3.342 1.00 61.14 C ATOM 1009 O ARG A 63 7.025 -3.846 3.234 1.00 70.13 O ATOM 1010 CB ARG A 63 9.652 -5.380 2.417 1.00 12.14 C ATOM 1011 CG ARG A 63 10.587 -6.534 2.072 1.00 33.42 C ATOM 1012 CD ARG A 63 10.285 -7.157 0.712 1.00 60.22 C ATOM 1013 NE ARG A 63 10.595 -6.268 -0.413 1.00 73.01 N ATOM 1014 CZ ARG A 63 11.776 -6.243 -1.038 1.00 3.10 C ATOM 1015 NH1 ARG A 63 12.788 -6.971 -0.583 1.00 64.33 N ATOM 1016 NH2 ARG A 63 11.945 -5.484 -2.115 1.00 14.13 N ATOM 0 H ARG A 63 8.293 -4.581 0.505 1.00 52.03 H new ATOM 0 HA ARG A 63 8.042 -6.792 2.351 1.00 30.32 H new ATOM 0 HB2 ARG A 63 9.894 -4.528 1.782 1.00 12.14 H new ATOM 0 HB3 ARG A 63 9.835 -5.073 3.447 1.00 12.14 H new ATOM 0 HG2 ARG A 63 11.617 -6.176 2.081 1.00 33.42 H new ATOM 0 HG3 ARG A 63 10.509 -7.301 2.843 1.00 33.42 H new ATOM 0 HD2 ARG A 63 10.857 -8.079 0.607 1.00 60.22 H new ATOM 0 HD3 ARG A 63 9.231 -7.430 0.671 1.00 60.22 H new ATOM 0 HE ARG A 63 9.867 -5.632 -0.737 1.00 73.01 H new ATOM 0 HH11 ARG A 63 12.666 -7.552 0.246 1.00 64.33 H new ATOM 0 HH12 ARG A 63 13.688 -6.949 -1.063 1.00 64.33 H new ATOM 0 HH21 ARG A 63 11.172 -4.919 -2.467 1.00 14.13 H new ATOM 0 HH22 ARG A 63 12.847 -5.467 -2.590 1.00 14.13 H new ATOM 1030 N LYS A 64 6.996 -5.783 4.384 1.00 70.33 N ATOM 1031 CA LYS A 64 6.123 -5.275 5.442 1.00 70.03 C ATOM 1032 C LYS A 64 6.734 -4.058 6.128 1.00 62.14 C ATOM 1033 O LYS A 64 6.014 -3.169 6.571 1.00 44.12 O ATOM 1034 CB LYS A 64 5.809 -6.368 6.472 1.00 64.23 C ATOM 1035 CG LYS A 64 7.028 -6.932 7.192 1.00 23.23 C ATOM 1036 CD LYS A 64 6.639 -8.067 8.127 1.00 13.55 C ATOM 1037 CE LYS A 64 7.847 -8.660 8.837 1.00 32.25 C ATOM 1038 NZ LYS A 64 8.902 -9.085 7.880 1.00 55.42 N ATOM 0 H LYS A 64 7.306 -6.745 4.520 1.00 70.33 H new ATOM 0 HA LYS A 64 5.189 -4.967 4.973 1.00 70.03 H new ATOM 0 HB2 LYS A 64 5.121 -5.963 7.214 1.00 64.23 H new ATOM 0 HB3 LYS A 64 5.291 -7.184 5.969 1.00 64.23 H new ATOM 0 HG2 LYS A 64 7.751 -7.292 6.460 1.00 23.23 H new ATOM 0 HG3 LYS A 64 7.516 -6.140 7.760 1.00 23.23 H new ATOM 0 HD2 LYS A 64 5.928 -7.700 8.867 1.00 13.55 H new ATOM 0 HD3 LYS A 64 6.133 -8.848 7.559 1.00 13.55 H new ATOM 0 HE2 LYS A 64 8.259 -7.924 9.528 1.00 32.25 H new ATOM 0 HE3 LYS A 64 7.533 -9.516 9.434 1.00 32.25 H new ATOM 0 HZ1 LYS A 64 9.384 -9.930 8.247 1.00 55.42 H new ATOM 0 HZ2 LYS A 64 8.468 -9.306 6.961 1.00 55.42 H new ATOM 0 HZ3 LYS A 64 9.593 -8.317 7.761 1.00 55.42 H new ATOM 1052 N SER A 65 8.060 -4.015 6.181 1.00 30.32 N ATOM 1053 CA SER A 65 8.774 -2.895 6.781 1.00 23.42 C ATOM 1054 C SER A 65 8.445 -1.591 6.059 1.00 54.55 C ATOM 1055 O SER A 65 8.288 -0.544 6.684 1.00 74.44 O ATOM 1056 CB SER A 65 10.277 -3.164 6.735 1.00 3.52 C ATOM 1057 OG SER A 65 10.568 -4.429 7.303 1.00 30.53 O ATOM 0 H SER A 65 8.666 -4.748 5.813 1.00 30.32 H new ATOM 0 HA SER A 65 8.458 -2.793 7.819 1.00 23.42 H new ATOM 0 HB2 SER A 65 10.628 -3.132 5.703 1.00 3.52 H new ATOM 0 HB3 SER A 65 10.810 -2.383 7.277 1.00 3.52 H new ATOM 0 HG SER A 65 11.534 -4.590 7.266 1.00 30.53 H new ATOM 1063 N ALA A 66 8.338 -1.663 4.738 1.00 64.51 N ATOM 1064 CA ALA A 66 7.978 -0.499 3.946 1.00 24.43 C ATOM 1065 C ALA A 66 6.486 -0.210 4.066 1.00 74.21 C ATOM 1066 O ALA A 66 6.062 0.941 4.062 1.00 1.44 O ATOM 1067 CB ALA A 66 8.375 -0.702 2.492 1.00 33.13 C ATOM 0 H ALA A 66 8.495 -2.513 4.196 1.00 64.51 H new ATOM 0 HA ALA A 66 8.522 0.364 4.331 1.00 24.43 H new ATOM 0 HB1 ALA A 66 8.098 0.179 1.913 1.00 33.13 H new ATOM 0 HB2 ALA A 66 9.452 -0.855 2.427 1.00 33.13 H new ATOM 0 HB3 ALA A 66 7.859 -1.575 2.093 1.00 33.13 H new ATOM 1073 N ALA A 67 5.697 -1.267 4.198 1.00 34.01 N ATOM 1074 CA ALA A 67 4.250 -1.132 4.306 1.00 72.20 C ATOM 1075 C ALA A 67 3.848 -0.452 5.617 1.00 62.44 C ATOM 1076 O ALA A 67 2.824 0.228 5.684 1.00 24.41 O ATOM 1077 CB ALA A 67 3.580 -2.495 4.180 1.00 71.33 C ATOM 0 H ALA A 67 6.034 -2.229 4.233 1.00 34.01 H new ATOM 0 HA ALA A 67 3.910 -0.497 3.488 1.00 72.20 H new ATOM 0 HB1 ALA A 67 2.499 -2.378 4.263 1.00 71.33 H new ATOM 0 HB2 ALA A 67 3.825 -2.933 3.212 1.00 71.33 H new ATOM 0 HB3 ALA A 67 3.936 -3.150 4.975 1.00 71.33 H new ATOM 1083 N GLU A 68 4.656 -0.625 6.655 1.00 3.33 N ATOM 1084 CA GLU A 68 4.341 -0.066 7.967 1.00 61.31 C ATOM 1085 C GLU A 68 4.960 1.318 8.166 1.00 62.35 C ATOM 1086 O GLU A 68 4.885 1.892 9.251 1.00 3.25 O ATOM 1087 CB GLU A 68 4.801 -1.013 9.076 1.00 5.40 C ATOM 1088 CG GLU A 68 6.284 -1.331 9.040 1.00 3.51 C ATOM 1089 CD GLU A 68 6.722 -2.247 10.165 1.00 25.32 C ATOM 1090 OE1 GLU A 68 7.031 -1.747 11.267 1.00 55.40 O ATOM 1091 OE2 GLU A 68 6.763 -3.476 9.954 1.00 32.34 O ATOM 0 H GLU A 68 5.532 -1.146 6.616 1.00 3.33 H new ATOM 0 HA GLU A 68 3.258 0.048 8.017 1.00 61.31 H new ATOM 0 HB2 GLU A 68 4.558 -0.570 10.042 1.00 5.40 H new ATOM 0 HB3 GLU A 68 4.238 -1.944 9.002 1.00 5.40 H new ATOM 0 HG2 GLU A 68 6.527 -1.797 8.085 1.00 3.51 H new ATOM 0 HG3 GLU A 68 6.850 -0.401 9.095 1.00 3.51 H new ATOM 1099 N MET A 69 5.572 1.858 7.122 1.00 25.31 N ATOM 1100 CA MET A 69 6.128 3.208 7.194 1.00 24.32 C ATOM 1101 C MET A 69 5.383 4.140 6.243 1.00 35.20 C ATOM 1102 O MET A 69 5.833 5.252 5.951 1.00 22.50 O ATOM 1103 CB MET A 69 7.631 3.202 6.879 1.00 54.54 C ATOM 1104 CG MET A 69 7.971 2.872 5.435 1.00 31.21 C ATOM 1105 SD MET A 69 9.748 2.750 5.156 1.00 25.52 S ATOM 1106 CE MET A 69 10.303 4.327 5.800 1.00 73.13 C ATOM 0 H MET A 69 5.697 1.392 6.224 1.00 25.31 H new ATOM 0 HA MET A 69 6.000 3.575 8.212 1.00 24.32 H new ATOM 0 HB2 MET A 69 8.044 4.181 7.122 1.00 54.54 H new ATOM 0 HB3 MET A 69 8.123 2.479 7.529 1.00 54.54 H new ATOM 0 HG2 MET A 69 7.498 1.930 5.160 1.00 31.21 H new ATOM 0 HG3 MET A 69 7.556 3.640 4.782 1.00 31.21 H new ATOM 0 HE1 MET A 69 11.378 4.424 5.649 1.00 73.13 H new ATOM 0 HE2 MET A 69 9.789 5.134 5.278 1.00 73.13 H new ATOM 0 HE3 MET A 69 10.080 4.384 6.865 1.00 73.13 H new ATOM 1116 N ILE A 70 4.226 3.688 5.774 1.00 51.23 N ATOM 1117 CA ILE A 70 3.429 4.460 4.831 1.00 64.52 C ATOM 1118 C ILE A 70 2.085 4.841 5.444 1.00 74.22 C ATOM 1119 O ILE A 70 1.425 4.013 6.071 1.00 50.32 O ATOM 1120 CB ILE A 70 3.189 3.677 3.518 1.00 35.25 C ATOM 1121 CG1 ILE A 70 4.523 3.298 2.871 1.00 24.34 C ATOM 1122 CG2 ILE A 70 2.339 4.488 2.549 1.00 31.31 C ATOM 1123 CD1 ILE A 70 5.455 4.471 2.668 1.00 4.45 C ATOM 0 H ILE A 70 3.819 2.789 6.032 1.00 51.23 H new ATOM 0 HA ILE A 70 3.991 5.365 4.600 1.00 64.52 H new ATOM 0 HB ILE A 70 2.647 2.763 3.761 1.00 35.25 H new ATOM 0 HG12 ILE A 70 5.020 2.554 3.493 1.00 24.34 H new ATOM 0 HG13 ILE A 70 4.329 2.829 1.907 1.00 24.34 H new ATOM 0 HG21 ILE A 70 2.185 3.916 1.634 1.00 31.31 H new ATOM 0 HG22 ILE A 70 1.375 4.708 3.007 1.00 31.31 H new ATOM 0 HG23 ILE A 70 2.849 5.422 2.311 1.00 31.31 H new ATOM 0 HD11 ILE A 70 6.379 4.125 2.205 1.00 4.45 H new ATOM 0 HD12 ILE A 70 4.978 5.207 2.020 1.00 4.45 H new ATOM 0 HD13 ILE A 70 5.680 4.928 3.632 1.00 4.45 H new ATOM 1135 N GLU A 71 1.700 6.097 5.264 1.00 1.23 N ATOM 1136 CA GLU A 71 0.424 6.595 5.755 1.00 31.31 C ATOM 1137 C GLU A 71 -0.638 6.436 4.672 1.00 14.11 C ATOM 1138 O GLU A 71 -0.539 7.044 3.599 1.00 40.13 O ATOM 1139 CB GLU A 71 0.557 8.068 6.148 1.00 1.04 C ATOM 1140 CG GLU A 71 -0.652 8.634 6.878 1.00 65.11 C ATOM 1141 CD GLU A 71 -0.816 8.048 8.267 1.00 11.22 C ATOM 1142 OE1 GLU A 71 -0.015 8.399 9.158 1.00 30.11 O ATOM 1143 OE2 GLU A 71 -1.750 7.245 8.474 1.00 13.21 O ATOM 0 H GLU A 71 2.261 6.796 4.776 1.00 1.23 H new ATOM 0 HA GLU A 71 0.127 6.022 6.633 1.00 31.31 H new ATOM 0 HB2 GLU A 71 1.436 8.185 6.781 1.00 1.04 H new ATOM 0 HB3 GLU A 71 0.732 8.657 5.248 1.00 1.04 H new ATOM 0 HG2 GLU A 71 -0.553 9.717 6.953 1.00 65.11 H new ATOM 0 HG3 GLU A 71 -1.551 8.435 6.294 1.00 65.11 H new ATOM 1151 N VAL A 72 -1.632 5.604 4.937 1.00 12.32 N ATOM 1152 CA VAL A 72 -2.703 5.374 3.981 1.00 1.32 C ATOM 1153 C VAL A 72 -4.065 5.472 4.659 1.00 34.13 C ATOM 1154 O VAL A 72 -4.158 5.540 5.885 1.00 11.12 O ATOM 1155 CB VAL A 72 -2.577 3.996 3.281 1.00 43.10 C ATOM 1156 CG1 VAL A 72 -1.274 3.891 2.502 1.00 50.54 C ATOM 1157 CG2 VAL A 72 -2.683 2.860 4.283 1.00 42.45 C ATOM 0 H VAL A 72 -1.720 5.077 5.806 1.00 12.32 H new ATOM 0 HA VAL A 72 -2.615 6.151 3.222 1.00 1.32 H new ATOM 0 HB VAL A 72 -3.405 3.912 2.577 1.00 43.10 H new ATOM 0 HG11 VAL A 72 -1.215 2.914 2.022 1.00 50.54 H new ATOM 0 HG12 VAL A 72 -1.241 4.671 1.741 1.00 50.54 H new ATOM 0 HG13 VAL A 72 -0.432 4.013 3.183 1.00 50.54 H new ATOM 0 HG21 VAL A 72 -2.591 1.906 3.763 1.00 42.45 H new ATOM 0 HG22 VAL A 72 -1.885 2.950 5.020 1.00 42.45 H new ATOM 0 HG23 VAL A 72 -3.649 2.907 4.786 1.00 42.45 H new ATOM 1167 N GLU A 73 -5.117 5.492 3.858 1.00 22.40 N ATOM 1168 CA GLU A 73 -6.476 5.515 4.380 1.00 3.31 C ATOM 1169 C GLU A 73 -7.319 4.449 3.692 1.00 42.22 C ATOM 1170 O GLU A 73 -6.916 3.903 2.666 1.00 10.31 O ATOM 1171 CB GLU A 73 -7.112 6.899 4.199 1.00 42.51 C ATOM 1172 CG GLU A 73 -7.104 7.396 2.765 1.00 73.15 C ATOM 1173 CD GLU A 73 -7.851 8.703 2.600 1.00 62.21 C ATOM 1174 OE1 GLU A 73 -7.523 9.678 3.312 1.00 30.53 O ATOM 1175 OE2 GLU A 73 -8.770 8.769 1.758 1.00 62.40 O ATOM 0 H GLU A 73 -5.057 5.493 2.840 1.00 22.40 H new ATOM 0 HA GLU A 73 -6.436 5.300 5.448 1.00 3.31 H new ATOM 0 HB2 GLU A 73 -8.141 6.865 4.556 1.00 42.51 H new ATOM 0 HB3 GLU A 73 -6.582 7.617 4.825 1.00 42.51 H new ATOM 0 HG2 GLU A 73 -6.073 7.526 2.435 1.00 73.15 H new ATOM 0 HG3 GLU A 73 -7.553 6.641 2.120 1.00 73.15 H new ATOM 1183 N LEU A 74 -8.482 4.158 4.254 1.00 1.31 N ATOM 1184 CA LEU A 74 -9.351 3.121 3.715 1.00 14.44 C ATOM 1185 C LEU A 74 -10.213 3.666 2.580 1.00 42.20 C ATOM 1186 O LEU A 74 -10.803 4.744 2.693 1.00 53.24 O ATOM 1187 CB LEU A 74 -10.245 2.550 4.821 1.00 73.55 C ATOM 1188 CG LEU A 74 -10.219 1.023 4.978 1.00 74.34 C ATOM 1189 CD1 LEU A 74 -10.668 0.328 3.700 1.00 71.44 C ATOM 1190 CD2 LEU A 74 -8.832 0.549 5.375 1.00 11.50 C ATOM 0 H LEU A 74 -8.847 4.625 5.084 1.00 1.31 H new ATOM 0 HA LEU A 74 -8.721 2.325 3.318 1.00 14.44 H new ATOM 0 HB2 LEU A 74 -9.950 2.999 5.769 1.00 73.55 H new ATOM 0 HB3 LEU A 74 -11.272 2.859 4.628 1.00 73.55 H new ATOM 0 HG LEU A 74 -10.920 0.760 5.770 1.00 74.34 H new ATOM 0 HD11 LEU A 74 -10.638 -0.752 3.844 1.00 71.44 H new ATOM 0 HD12 LEU A 74 -11.686 0.634 3.458 1.00 71.44 H new ATOM 0 HD13 LEU A 74 -10.002 0.604 2.883 1.00 71.44 H new ATOM 0 HD21 LEU A 74 -8.835 -0.536 5.481 1.00 11.50 H new ATOM 0 HD22 LEU A 74 -8.115 0.836 4.606 1.00 11.50 H new ATOM 0 HD23 LEU A 74 -8.549 1.006 6.323 1.00 11.50 H new ATOM 1202 N GLU A 75 -10.266 2.916 1.488 1.00 53.25 N ATOM 1203 CA GLU A 75 -11.129 3.242 0.360 1.00 42.12 C ATOM 1204 C GLU A 75 -12.443 2.474 0.513 1.00 32.23 C ATOM 1205 O GLU A 75 -12.743 1.972 1.597 1.00 53.31 O ATOM 1206 CB GLU A 75 -10.427 2.877 -0.955 1.00 14.55 C ATOM 1207 CG GLU A 75 -10.416 3.989 -1.996 1.00 4.20 C ATOM 1208 CD GLU A 75 -11.793 4.321 -2.529 1.00 41.13 C ATOM 1209 OE1 GLU A 75 -12.225 5.483 -2.405 1.00 65.23 O ATOM 1210 OE2 GLU A 75 -12.459 3.414 -3.069 1.00 55.51 O ATOM 0 H GLU A 75 -9.715 2.068 1.359 1.00 53.25 H new ATOM 0 HA GLU A 75 -11.341 4.311 0.341 1.00 42.12 H new ATOM 0 HB2 GLU A 75 -9.398 2.592 -0.736 1.00 14.55 H new ATOM 0 HB3 GLU A 75 -10.916 2.002 -1.382 1.00 14.55 H new ATOM 0 HG2 GLU A 75 -9.978 4.885 -1.556 1.00 4.20 H new ATOM 0 HG3 GLU A 75 -9.774 3.695 -2.826 1.00 4.20 H new ATOM 1218 N HIS A 76 -13.228 2.386 -0.555 1.00 74.42 N ATOM 1219 CA HIS A 76 -14.496 1.658 -0.514 1.00 11.42 C ATOM 1220 C HIS A 76 -14.256 0.183 -0.214 1.00 52.11 C ATOM 1221 O HIS A 76 -13.763 -0.563 -1.062 1.00 22.24 O ATOM 1222 CB HIS A 76 -15.248 1.798 -1.840 1.00 42.21 C ATOM 1223 CG HIS A 76 -15.768 3.178 -2.112 1.00 74.11 C ATOM 1224 ND1 HIS A 76 -15.017 4.160 -2.717 1.00 0.32 N ATOM 1225 CD2 HIS A 76 -16.980 3.732 -1.876 1.00 72.33 C ATOM 1226 CE1 HIS A 76 -15.740 5.256 -2.842 1.00 24.12 C ATOM 1227 NE2 HIS A 76 -16.939 5.025 -2.340 1.00 4.34 N ATOM 0 H HIS A 76 -13.012 2.807 -1.458 1.00 74.42 H new ATOM 0 HA HIS A 76 -15.104 2.090 0.281 1.00 11.42 H new ATOM 0 HB2 HIS A 76 -14.584 1.506 -2.653 1.00 42.21 H new ATOM 0 HB3 HIS A 76 -16.085 1.100 -1.845 1.00 42.21 H new ATOM 0 HD1 HIS A 76 -14.049 4.056 -3.022 1.00 0.32 H new ATOM 0 HD2 HIS A 76 -17.824 3.247 -1.409 1.00 72.33 H new ATOM 0 HE1 HIS A 76 -15.407 6.185 -3.281 1.00 24.12 H new ATOM 1236 N HIS A 77 -14.612 -0.242 0.989 1.00 63.05 N ATOM 1237 CA HIS A 77 -14.340 -1.605 1.407 1.00 64.54 C ATOM 1238 C HIS A 77 -15.467 -2.546 0.983 1.00 15.21 C ATOM 1239 O HIS A 77 -16.280 -2.988 1.797 1.00 35.51 O ATOM 1240 CB HIS A 77 -14.056 -1.693 2.925 1.00 33.44 C ATOM 1241 CG HIS A 77 -15.127 -1.150 3.839 1.00 43.30 C ATOM 1242 ND1 HIS A 77 -15.138 0.148 4.303 1.00 5.05 N ATOM 1243 CD2 HIS A 77 -16.203 -1.751 4.404 1.00 53.44 C ATOM 1244 CE1 HIS A 77 -16.169 0.320 5.107 1.00 11.45 C ATOM 1245 NE2 HIS A 77 -16.833 -0.816 5.188 1.00 44.34 N ATOM 0 H HIS A 77 -15.086 0.333 1.686 1.00 63.05 H new ATOM 0 HA HIS A 77 -13.433 -1.931 0.898 1.00 64.54 H new ATOM 0 HB2 HIS A 77 -13.886 -2.739 3.181 1.00 33.44 H new ATOM 0 HB3 HIS A 77 -13.128 -1.159 3.131 1.00 33.44 H new ATOM 0 HD2 HIS A 77 -16.509 -2.777 4.263 1.00 53.44 H new ATOM 0 HE1 HIS A 77 -16.426 1.238 5.614 1.00 11.45 H new ATOM 0 HE2 HIS A 77 -17.675 -0.974 5.741 1.00 44.34 H new ATOM 1254 N HIS A 78 -15.528 -2.837 -0.309 1.00 70.04 N ATOM 1255 CA HIS A 78 -16.522 -3.771 -0.817 1.00 52.35 C ATOM 1256 C HIS A 78 -15.845 -5.064 -1.270 1.00 35.23 C ATOM 1257 O HIS A 78 -15.392 -5.198 -2.406 1.00 61.45 O ATOM 1258 CB HIS A 78 -17.389 -3.147 -1.937 1.00 21.12 C ATOM 1259 CG HIS A 78 -16.674 -2.840 -3.221 1.00 3.22 C ATOM 1260 ND1 HIS A 78 -16.852 -3.584 -4.368 1.00 21.33 N ATOM 1261 CD2 HIS A 78 -15.792 -1.864 -3.541 1.00 42.35 C ATOM 1262 CE1 HIS A 78 -16.108 -3.081 -5.335 1.00 21.42 C ATOM 1263 NE2 HIS A 78 -15.456 -2.038 -4.859 1.00 44.33 N ATOM 0 H HIS A 78 -14.908 -2.445 -1.018 1.00 70.04 H new ATOM 0 HA HIS A 78 -17.207 -4.012 -0.004 1.00 52.35 H new ATOM 0 HB2 HIS A 78 -18.212 -3.827 -2.155 1.00 21.12 H new ATOM 0 HB3 HIS A 78 -17.829 -2.225 -1.559 1.00 21.12 H new ATOM 0 HD1 HIS A 78 -17.463 -4.396 -4.455 1.00 21.33 H new ATOM 0 HD2 HIS A 78 -15.422 -1.093 -2.882 1.00 42.35 H new ATOM 0 HE1 HIS A 78 -16.044 -3.459 -6.345 1.00 21.42 H new ATOM 1272 N HIS A 79 -15.736 -6.001 -0.345 1.00 22.51 N ATOM 1273 CA HIS A 79 -15.144 -7.295 -0.645 1.00 62.41 C ATOM 1274 C HIS A 79 -16.167 -8.395 -0.396 1.00 12.32 C ATOM 1275 O HIS A 79 -15.959 -9.554 -0.750 1.00 5.34 O ATOM 1276 CB HIS A 79 -13.881 -7.518 0.190 1.00 73.15 C ATOM 1277 CG HIS A 79 -13.076 -8.705 -0.242 1.00 24.13 C ATOM 1278 ND1 HIS A 79 -12.670 -9.687 0.629 1.00 32.24 N ATOM 1279 CD2 HIS A 79 -12.584 -9.055 -1.456 1.00 61.02 C ATOM 1280 CE1 HIS A 79 -11.963 -10.588 -0.023 1.00 55.42 C ATOM 1281 NE2 HIS A 79 -11.898 -10.231 -1.290 1.00 54.03 N ATOM 0 H HIS A 79 -16.049 -5.891 0.620 1.00 22.51 H new ATOM 0 HA HIS A 79 -14.853 -7.320 -1.695 1.00 62.41 H new ATOM 0 HB2 HIS A 79 -13.257 -6.626 0.133 1.00 73.15 H new ATOM 0 HB3 HIS A 79 -14.164 -7.643 1.235 1.00 73.15 H new ATOM 0 HD2 HIS A 79 -12.709 -8.510 -2.380 1.00 61.02 H new ATOM 0 HE1 HIS A 79 -11.513 -11.470 0.408 1.00 55.42 H new ATOM 0 HE2 HIS A 79 -11.416 -10.746 -2.027 1.00 54.03 H new ATOM 1290 N HIS A 80 -17.271 -8.018 0.233 1.00 41.40 N ATOM 1291 CA HIS A 80 -18.420 -8.906 0.345 1.00 35.41 C ATOM 1292 C HIS A 80 -19.250 -8.813 -0.927 1.00 54.41 C ATOM 1293 O HIS A 80 -20.029 -9.712 -1.249 1.00 52.52 O ATOM 1294 CB HIS A 80 -19.281 -8.552 1.563 1.00 64.34 C ATOM 1295 CG HIS A 80 -18.705 -9.022 2.863 1.00 25.01 C ATOM 1296 ND1 HIS A 80 -17.931 -8.228 3.682 1.00 65.41 N ATOM 1297 CD2 HIS A 80 -18.799 -10.220 3.487 1.00 30.31 C ATOM 1298 CE1 HIS A 80 -17.571 -8.920 4.748 1.00 45.24 C ATOM 1299 NE2 HIS A 80 -18.086 -10.130 4.654 1.00 43.53 N ATOM 0 H HIS A 80 -17.396 -7.106 0.673 1.00 41.40 H new ATOM 0 HA HIS A 80 -18.060 -9.926 0.479 1.00 35.41 H new ATOM 0 HB2 HIS A 80 -19.411 -7.471 1.603 1.00 64.34 H new ATOM 0 HB3 HIS A 80 -20.272 -8.988 1.436 1.00 64.34 H new ATOM 0 HD2 HIS A 80 -19.337 -11.086 3.131 1.00 30.31 H new ATOM 0 HE1 HIS A 80 -16.958 -8.556 5.559 1.00 45.24 H new ATOM 0 HE2 HIS A 80 -17.972 -10.878 5.339 1.00 43.53 H new ATOM 1308 N HIS A 81 -19.063 -7.709 -1.641 1.00 54.43 N ATOM 1309 CA HIS A 81 -19.724 -7.475 -2.917 1.00 53.51 C ATOM 1310 C HIS A 81 -19.230 -6.156 -3.498 1.00 62.15 C ATOM 1311 O HIS A 81 -18.140 -6.143 -4.105 1.00 38.25 O ATOM 1312 CB HIS A 81 -21.248 -7.432 -2.746 1.00 24.02 C ATOM 1313 CG HIS A 81 -22.001 -7.779 -3.993 1.00 4.13 C ATOM 1314 ND1 HIS A 81 -22.060 -6.961 -5.103 1.00 62.50 N ATOM 1315 CD2 HIS A 81 -22.730 -8.878 -4.303 1.00 33.30 C ATOM 1316 CE1 HIS A 81 -22.793 -7.541 -6.035 1.00 23.14 C ATOM 1317 NE2 HIS A 81 -23.208 -8.702 -5.573 1.00 34.54 N ATOM 1318 OXT HIS A 81 -19.917 -5.132 -3.316 1.00 38.25 O ATOM 0 H HIS A 81 -18.447 -6.950 -1.350 1.00 54.43 H new ATOM 0 HA HIS A 81 -19.484 -8.294 -3.595 1.00 53.51 H new ATOM 0 HB2 HIS A 81 -21.536 -8.123 -1.954 1.00 24.02 H new ATOM 0 HB3 HIS A 81 -21.541 -6.434 -2.421 1.00 24.02 H new ATOM 0 HD2 HIS A 81 -22.902 -9.733 -3.667 1.00 33.30 H new ATOM 0 HE1 HIS A 81 -23.015 -7.133 -7.010 1.00 23.14 H new ATOM 0 HE2 HIS A 81 -23.793 -9.365 -6.081 1.00 34.54 H new TER 1327 HIS A 81