USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 99 TYR OH : rot -6:sc= 0.724 USER MOD Set 1.2: A 132 CYS SG : rot 30:sc= -2.97 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc=-0.00242 USER MOD Set 2.2: A 65 THR OG1 : rot 145:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -76:sc= 0.861 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.24) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.89! K(o=-2.9!,f=-2.2) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.1!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-1.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.028 K(o=0.028,f=-3.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.26) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00193 USER MOD Single : A 70 GLN : amide:sc= -2.23 K(o=-2.2,f=-0.56) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= -0.0669 (180deg=-0.135) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 2.1 (180deg=2.1) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 1.14 (180deg=0.998) USER MOD Single : A 104 LYS NZ :NH3+ -155:sc= 1.03 (180deg=-0.26!) USER MOD Single : A 105 SER OG : rot 96:sc= 0.0772 USER MOD Single : A 123 TYR OH : rot 30:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 166:sc= -0.0171 (180deg=-0.18) USER MOD Single : A 131 SER OG : rot 57:sc= 1.28 USER MOD Single : A 135 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=0) USER MOD Single : A 136 SER OG : rot 68:sc= 0.4 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl 163:sc= -0.0827 (180deg=-0.482) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -17.837 11.855 11.170 1.00 65.40 N ATOM 61 CA ASP A 18 -16.736 11.480 12.061 1.00 61.35 C ATOM 62 C ASP A 18 -17.045 10.126 12.655 1.00 32.45 C ATOM 63 O ASP A 18 -16.166 9.268 12.826 1.00 51.41 O ATOM 64 CB ASP A 18 -16.548 12.513 13.165 1.00 71.52 C ATOM 65 CG ASP A 18 -15.431 12.139 14.125 1.00 14.12 C ATOM 66 OD1 ASP A 18 -14.241 12.238 13.736 1.00 11.22 O ATOM 67 OD2 ASP A 18 -15.715 11.770 15.296 1.00 2.12 O ATOM 0 HA ASP A 18 -15.807 11.438 11.492 1.00 61.35 H new ATOM 0 HB2 ASP A 18 -16.329 13.483 12.718 1.00 71.52 H new ATOM 0 HB3 ASP A 18 -17.480 12.621 13.720 1.00 71.52 H new ATOM 72 N LEU A 19 -18.332 9.924 12.904 1.00 15.20 N ATOM 73 CA LEU A 19 -18.856 8.666 13.372 1.00 73.55 C ATOM 74 C LEU A 19 -18.680 7.649 12.248 1.00 42.31 C ATOM 75 O LEU A 19 -18.372 6.491 12.487 1.00 0.33 O ATOM 76 CB LEU A 19 -20.347 8.862 13.777 1.00 53.44 C ATOM 77 CG LEU A 19 -21.117 7.692 14.460 1.00 1.32 C ATOM 78 CD1 LEU A 19 -21.458 6.573 13.489 1.00 31.42 C ATOM 79 CD2 LEU A 19 -20.332 7.150 15.644 1.00 25.33 C ATOM 0 H LEU A 19 -19.044 10.644 12.782 1.00 15.20 H new ATOM 0 HA LEU A 19 -18.330 8.300 14.254 1.00 73.55 H new ATOM 0 HB2 LEU A 19 -20.393 9.719 14.449 1.00 53.44 H new ATOM 0 HB3 LEU A 19 -20.897 9.133 12.876 1.00 53.44 H new ATOM 0 HG LEU A 19 -22.061 8.102 14.818 1.00 1.32 H new ATOM 0 HD11 LEU A 19 -21.994 5.784 14.017 1.00 31.42 H new ATOM 0 HD12 LEU A 19 -22.085 6.965 12.688 1.00 31.42 H new ATOM 0 HD13 LEU A 19 -20.540 6.167 13.065 1.00 31.42 H new ATOM 0 HD21 LEU A 19 -20.888 6.334 16.106 1.00 25.33 H new ATOM 0 HD22 LEU A 19 -19.365 6.782 15.302 1.00 25.33 H new ATOM 0 HD23 LEU A 19 -20.180 7.945 16.374 1.00 25.33 H new ATOM 91 N ASP A 20 -18.818 8.127 11.023 1.00 21.20 N ATOM 92 CA ASP A 20 -18.624 7.319 9.824 1.00 64.23 C ATOM 93 C ASP A 20 -17.191 6.846 9.756 1.00 74.50 C ATOM 94 O ASP A 20 -16.934 5.670 9.491 1.00 2.10 O ATOM 95 CB ASP A 20 -18.990 8.129 8.563 1.00 34.01 C ATOM 96 CG ASP A 20 -18.716 7.411 7.255 1.00 65.31 C ATOM 97 OD1 ASP A 20 -19.501 6.501 6.883 1.00 52.52 O ATOM 98 OD2 ASP A 20 -17.751 7.779 6.542 1.00 42.00 O ATOM 0 H ASP A 20 -19.070 9.096 10.828 1.00 21.20 H new ATOM 0 HA ASP A 20 -19.280 6.450 9.870 1.00 64.23 H new ATOM 0 HB2 ASP A 20 -20.048 8.388 8.607 1.00 34.01 H new ATOM 0 HB3 ASP A 20 -18.432 9.065 8.573 1.00 34.01 H new ATOM 103 N VAL A 21 -16.267 7.758 10.056 1.00 15.42 N ATOM 104 CA VAL A 21 -14.839 7.455 10.058 1.00 12.33 C ATOM 105 C VAL A 21 -14.512 6.373 11.071 1.00 61.43 C ATOM 106 O VAL A 21 -13.964 5.329 10.711 1.00 41.11 O ATOM 107 CB VAL A 21 -13.957 8.699 10.352 1.00 3.24 C ATOM 108 CG1 VAL A 21 -12.471 8.348 10.300 1.00 64.21 C ATOM 109 CG2 VAL A 21 -14.265 9.822 9.396 1.00 33.21 C ATOM 0 H VAL A 21 -16.487 8.723 10.303 1.00 15.42 H new ATOM 0 HA VAL A 21 -14.610 7.107 9.051 1.00 12.33 H new ATOM 0 HB VAL A 21 -14.193 9.035 11.362 1.00 3.24 H new ATOM 0 HG11 VAL A 21 -11.879 9.239 10.510 1.00 64.21 H new ATOM 0 HG12 VAL A 21 -12.252 7.583 11.045 1.00 64.21 H new ATOM 0 HG13 VAL A 21 -12.221 7.971 9.308 1.00 64.21 H new ATOM 0 HG21 VAL A 21 -13.632 10.679 9.626 1.00 33.21 H new ATOM 0 HG22 VAL A 21 -14.073 9.493 8.375 1.00 33.21 H new ATOM 0 HG23 VAL A 21 -15.312 10.107 9.495 1.00 33.21 H new ATOM 119 N LYS A 22 -14.865 6.606 12.327 1.00 13.23 N ATOM 120 CA LYS A 22 -14.576 5.629 13.364 1.00 1.20 C ATOM 121 C LYS A 22 -15.337 4.332 13.113 1.00 71.00 C ATOM 122 O LYS A 22 -14.821 3.252 13.363 1.00 12.22 O ATOM 123 CB LYS A 22 -14.854 6.181 14.775 1.00 11.00 C ATOM 124 CG LYS A 22 -16.260 6.725 14.970 1.00 33.11 C ATOM 125 CD LYS A 22 -16.519 7.176 16.399 1.00 13.23 C ATOM 126 CE LYS A 22 -16.499 6.008 17.370 1.00 54.13 C ATOM 127 NZ LYS A 22 -16.817 6.435 18.736 1.00 32.54 N ATOM 0 H LYS A 22 -15.343 7.448 12.648 1.00 13.23 H new ATOM 0 HA LYS A 22 -13.509 5.411 13.318 1.00 1.20 H new ATOM 0 HB2 LYS A 22 -14.680 5.389 15.503 1.00 11.00 H new ATOM 0 HB3 LYS A 22 -14.138 6.974 14.990 1.00 11.00 H new ATOM 0 HG2 LYS A 22 -16.418 7.565 14.293 1.00 33.11 H new ATOM 0 HG3 LYS A 22 -16.984 5.957 14.698 1.00 33.11 H new ATOM 0 HD2 LYS A 22 -15.765 7.906 16.692 1.00 13.23 H new ATOM 0 HD3 LYS A 22 -17.485 7.677 16.453 1.00 13.23 H new ATOM 0 HE2 LYS A 22 -17.217 5.254 17.048 1.00 54.13 H new ATOM 0 HE3 LYS A 22 -15.515 5.539 17.355 1.00 54.13 H new ATOM 0 HZ1 LYS A 22 -16.794 5.612 19.371 1.00 32.54 H new ATOM 0 HZ2 LYS A 22 -16.117 7.136 19.052 1.00 32.54 H new ATOM 0 HZ3 LYS A 22 -17.766 6.860 18.755 1.00 32.54 H new ATOM 141 N GLY A 23 -16.538 4.462 12.567 1.00 51.03 N ATOM 142 CA GLY A 23 -17.361 3.330 12.253 1.00 1.10 C ATOM 143 C GLY A 23 -16.723 2.425 11.230 1.00 65.25 C ATOM 144 O GLY A 23 -16.565 1.202 11.470 1.00 55.00 O ATOM 0 H GLY A 23 -16.959 5.361 12.334 1.00 51.03 H new ATOM 0 HA2 GLY A 23 -17.558 2.764 13.163 1.00 1.10 H new ATOM 0 HA3 GLY A 23 -18.324 3.677 11.878 1.00 1.10 H new ATOM 148 N LEU A 24 -16.292 3.011 10.116 1.00 70.43 N ATOM 149 CA LEU A 24 -15.696 2.226 9.059 1.00 54.01 C ATOM 150 C LEU A 24 -14.343 1.741 9.527 1.00 62.21 C ATOM 151 O LEU A 24 -13.922 0.660 9.183 1.00 63.44 O ATOM 152 CB LEU A 24 -15.579 3.048 7.741 1.00 2.22 C ATOM 153 CG LEU A 24 -14.443 4.091 7.646 1.00 33.04 C ATOM 154 CD1 LEU A 24 -13.169 3.499 7.033 1.00 33.14 C ATOM 155 CD2 LEU A 24 -14.883 5.323 6.892 1.00 55.00 C ATOM 0 H LEU A 24 -16.346 4.013 9.931 1.00 70.43 H new ATOM 0 HA LEU A 24 -16.333 1.370 8.837 1.00 54.01 H new ATOM 0 HB2 LEU A 24 -15.459 2.345 6.916 1.00 2.22 H new ATOM 0 HB3 LEU A 24 -16.525 3.566 7.583 1.00 2.22 H new ATOM 0 HG LEU A 24 -14.205 4.390 8.667 1.00 33.04 H new ATOM 0 HD11 LEU A 24 -12.397 4.267 6.986 1.00 33.14 H new ATOM 0 HD12 LEU A 24 -12.819 2.671 7.650 1.00 33.14 H new ATOM 0 HD13 LEU A 24 -13.383 3.137 6.027 1.00 33.14 H new ATOM 0 HD21 LEU A 24 -14.059 6.035 6.845 1.00 55.00 H new ATOM 0 HD22 LEU A 24 -15.180 5.044 5.881 1.00 55.00 H new ATOM 0 HD23 LEU A 24 -15.729 5.781 7.405 1.00 55.00 H new ATOM 167 N GLY A 25 -13.708 2.538 10.385 1.00 51.54 N ATOM 168 CA GLY A 25 -12.397 2.244 10.858 1.00 30.21 C ATOM 169 C GLY A 25 -12.382 1.044 11.739 1.00 30.24 C ATOM 170 O GLY A 25 -11.528 0.174 11.587 1.00 22.33 O ATOM 0 H GLY A 25 -14.105 3.400 10.759 1.00 51.54 H new ATOM 0 HA2 GLY A 25 -11.733 2.080 10.009 1.00 30.21 H new ATOM 0 HA3 GLY A 25 -12.008 3.102 11.406 1.00 30.21 H new ATOM 174 N TYR A 26 -13.336 0.958 12.649 1.00 52.25 N ATOM 175 CA TYR A 26 -13.362 -0.167 13.530 1.00 13.04 C ATOM 176 C TYR A 26 -13.851 -1.401 12.799 1.00 54.40 C ATOM 177 O TYR A 26 -13.359 -2.491 13.046 1.00 71.34 O ATOM 178 CB TYR A 26 -14.136 0.105 14.848 1.00 14.30 C ATOM 179 CG TYR A 26 -15.665 0.041 14.819 1.00 60.32 C ATOM 180 CD1 TYR A 26 -16.429 1.191 14.887 1.00 53.44 C ATOM 181 CD2 TYR A 26 -16.337 -1.183 14.760 1.00 71.53 C ATOM 182 CE1 TYR A 26 -17.807 1.135 14.890 1.00 73.13 C ATOM 183 CE2 TYR A 26 -17.710 -1.242 14.759 1.00 40.01 C ATOM 184 CZ TYR A 26 -18.439 -0.079 14.822 1.00 24.12 C ATOM 185 OH TYR A 26 -19.806 -0.134 14.822 1.00 32.13 O ATOM 0 H TYR A 26 -14.080 1.642 12.786 1.00 52.25 H new ATOM 0 HA TYR A 26 -12.337 -0.356 13.849 1.00 13.04 H new ATOM 0 HB2 TYR A 26 -13.787 -0.611 15.592 1.00 14.30 H new ATOM 0 HB3 TYR A 26 -13.852 1.096 15.202 1.00 14.30 H new ATOM 0 HD1 TYR A 26 -15.938 2.151 14.939 1.00 53.44 H new ATOM 0 HD2 TYR A 26 -15.767 -2.099 14.714 1.00 71.53 H new ATOM 0 HE1 TYR A 26 -18.386 2.045 14.946 1.00 73.13 H new ATOM 0 HE2 TYR A 26 -18.213 -2.196 14.709 1.00 40.01 H new ATOM 0 HH TYR A 26 -20.096 -1.069 14.768 1.00 32.13 H new ATOM 195 N ASP A 27 -14.798 -1.215 11.861 1.00 51.42 N ATOM 196 CA ASP A 27 -15.316 -2.344 11.075 1.00 52.22 C ATOM 197 C ASP A 27 -14.195 -2.930 10.238 1.00 42.51 C ATOM 198 O ASP A 27 -13.948 -4.144 10.273 1.00 2.13 O ATOM 199 CB ASP A 27 -16.519 -1.912 10.205 1.00 1.32 C ATOM 200 CG ASP A 27 -17.176 -3.049 9.416 1.00 14.11 C ATOM 201 OD1 ASP A 27 -17.273 -4.187 9.940 1.00 11.31 O ATOM 202 OD2 ASP A 27 -17.706 -2.796 8.299 1.00 14.12 O ATOM 0 H ASP A 27 -15.212 -0.311 11.633 1.00 51.42 H new ATOM 0 HA ASP A 27 -15.682 -3.116 11.752 1.00 52.22 H new ATOM 0 HB2 ASP A 27 -17.270 -1.453 10.848 1.00 1.32 H new ATOM 0 HB3 ASP A 27 -16.187 -1.146 9.505 1.00 1.32 H new ATOM 207 N PHE A 28 -13.456 -2.046 9.579 1.00 22.30 N ATOM 208 CA PHE A 28 -12.309 -2.412 8.768 1.00 63.04 C ATOM 209 C PHE A 28 -11.237 -3.080 9.626 1.00 72.52 C ATOM 210 O PHE A 28 -10.789 -4.175 9.329 1.00 74.20 O ATOM 211 CB PHE A 28 -11.768 -1.145 8.088 1.00 12.31 C ATOM 212 CG PHE A 28 -10.418 -1.246 7.446 1.00 3.13 C ATOM 213 CD1 PHE A 28 -9.288 -0.957 8.182 1.00 53.43 C ATOM 214 CD2 PHE A 28 -10.275 -1.588 6.114 1.00 44.12 C ATOM 215 CE1 PHE A 28 -8.046 -1.008 7.611 1.00 43.22 C ATOM 216 CE2 PHE A 28 -9.021 -1.645 5.538 1.00 61.01 C ATOM 217 CZ PHE A 28 -7.908 -1.354 6.286 1.00 4.33 C ATOM 0 H PHE A 28 -13.641 -1.043 9.595 1.00 22.30 H new ATOM 0 HA PHE A 28 -12.606 -3.131 8.005 1.00 63.04 H new ATOM 0 HB2 PHE A 28 -12.484 -0.836 7.326 1.00 12.31 H new ATOM 0 HB3 PHE A 28 -11.731 -0.349 8.832 1.00 12.31 H new ATOM 0 HD1 PHE A 28 -9.385 -0.687 9.223 1.00 53.43 H new ATOM 0 HD2 PHE A 28 -11.149 -1.812 5.520 1.00 44.12 H new ATOM 0 HE1 PHE A 28 -7.172 -0.776 8.201 1.00 43.22 H new ATOM 0 HE2 PHE A 28 -8.916 -1.919 4.499 1.00 61.01 H new ATOM 0 HZ PHE A 28 -6.927 -1.396 5.836 1.00 4.33 H new ATOM 227 N ILE A 29 -10.855 -2.430 10.694 1.00 65.30 N ATOM 228 CA ILE A 29 -9.825 -2.945 11.566 1.00 60.11 C ATOM 229 C ILE A 29 -10.196 -4.283 12.183 1.00 33.11 C ATOM 230 O ILE A 29 -9.348 -5.180 12.258 1.00 61.21 O ATOM 231 CB ILE A 29 -9.371 -1.895 12.620 1.00 2.41 C ATOM 232 CG1 ILE A 29 -8.435 -0.859 11.983 1.00 11.52 C ATOM 233 CG2 ILE A 29 -8.735 -2.515 13.865 1.00 42.00 C ATOM 234 CD1 ILE A 29 -7.182 -1.461 11.366 1.00 24.10 C ATOM 0 H ILE A 29 -11.245 -1.534 10.985 1.00 65.30 H new ATOM 0 HA ILE A 29 -8.956 -3.142 10.939 1.00 60.11 H new ATOM 0 HB ILE A 29 -10.276 -1.395 12.964 1.00 2.41 H new ATOM 0 HG12 ILE A 29 -8.982 -0.314 11.214 1.00 11.52 H new ATOM 0 HG13 ILE A 29 -8.142 -0.133 12.741 1.00 11.52 H new ATOM 0 HG21 ILE A 29 -8.443 -1.725 14.556 1.00 42.00 H new ATOM 0 HG22 ILE A 29 -9.454 -3.174 14.351 1.00 42.00 H new ATOM 0 HG23 ILE A 29 -7.854 -3.089 13.576 1.00 42.00 H new ATOM 0 HD11 ILE A 29 -6.571 -0.667 10.936 1.00 24.10 H new ATOM 0 HD12 ILE A 29 -6.612 -1.982 12.135 1.00 24.10 H new ATOM 0 HD13 ILE A 29 -7.464 -2.166 10.584 1.00 24.10 H new ATOM 246 N ASP A 30 -11.452 -4.457 12.563 1.00 64.53 N ATOM 247 CA ASP A 30 -11.862 -5.728 13.129 1.00 55.13 C ATOM 248 C ASP A 30 -11.823 -6.804 12.081 1.00 31.05 C ATOM 249 O ASP A 30 -11.321 -7.880 12.328 1.00 72.20 O ATOM 250 CB ASP A 30 -13.231 -5.672 13.801 1.00 55.31 C ATOM 251 CG ASP A 30 -13.630 -7.011 14.410 1.00 13.51 C ATOM 252 OD1 ASP A 30 -13.032 -7.424 15.429 1.00 74.43 O ATOM 253 OD2 ASP A 30 -14.580 -7.660 13.903 1.00 13.53 O ATOM 0 H ASP A 30 -12.187 -3.753 12.492 1.00 64.53 H new ATOM 0 HA ASP A 30 -11.147 -5.967 13.916 1.00 55.13 H new ATOM 0 HB2 ASP A 30 -13.220 -4.910 14.580 1.00 55.31 H new ATOM 0 HB3 ASP A 30 -13.981 -5.370 13.070 1.00 55.31 H new ATOM 258 N LEU A 31 -12.247 -6.490 10.873 1.00 23.44 N ATOM 259 CA LEU A 31 -12.242 -7.495 9.847 1.00 41.35 C ATOM 260 C LEU A 31 -10.829 -7.839 9.379 1.00 60.24 C ATOM 261 O LEU A 31 -10.568 -8.956 8.941 1.00 25.13 O ATOM 262 CB LEU A 31 -13.239 -7.196 8.720 1.00 51.21 C ATOM 263 CG LEU A 31 -13.066 -5.914 7.910 1.00 41.30 C ATOM 264 CD1 LEU A 31 -11.904 -6.011 6.942 1.00 73.42 C ATOM 265 CD2 LEU A 31 -14.345 -5.572 7.187 1.00 12.21 C ATOM 0 H LEU A 31 -12.589 -5.572 10.589 1.00 23.44 H new ATOM 0 HA LEU A 31 -12.615 -8.415 10.296 1.00 41.35 H new ATOM 0 HB2 LEU A 31 -13.211 -8.034 8.023 1.00 51.21 H new ATOM 0 HB3 LEU A 31 -14.237 -7.178 9.158 1.00 51.21 H new ATOM 0 HG LEU A 31 -12.835 -5.109 8.608 1.00 41.30 H new ATOM 0 HD11 LEU A 31 -11.815 -5.078 6.385 1.00 73.42 H new ATOM 0 HD12 LEU A 31 -10.983 -6.192 7.496 1.00 73.42 H new ATOM 0 HD13 LEU A 31 -12.077 -6.833 6.247 1.00 73.42 H new ATOM 0 HD21 LEU A 31 -14.205 -4.655 6.614 1.00 12.21 H new ATOM 0 HD22 LEU A 31 -14.610 -6.385 6.511 1.00 12.21 H new ATOM 0 HD23 LEU A 31 -15.146 -5.428 7.912 1.00 12.21 H new ATOM 277 N VAL A 32 -9.914 -6.888 9.509 1.00 31.44 N ATOM 278 CA VAL A 32 -8.521 -7.135 9.226 1.00 4.34 C ATOM 279 C VAL A 32 -7.931 -8.049 10.320 1.00 15.35 C ATOM 280 O VAL A 32 -7.018 -8.843 10.070 1.00 42.32 O ATOM 281 CB VAL A 32 -7.722 -5.789 9.121 1.00 0.01 C ATOM 282 CG1 VAL A 32 -6.219 -6.023 9.045 1.00 33.43 C ATOM 283 CG2 VAL A 32 -8.163 -5.012 7.887 1.00 5.32 C ATOM 0 H VAL A 32 -10.121 -5.936 9.811 1.00 31.44 H new ATOM 0 HA VAL A 32 -8.436 -7.637 8.262 1.00 4.34 H new ATOM 0 HB VAL A 32 -7.936 -5.218 10.024 1.00 0.01 H new ATOM 0 HG11 VAL A 32 -5.705 -5.065 8.973 1.00 33.43 H new ATOM 0 HG12 VAL A 32 -5.887 -6.547 9.941 1.00 33.43 H new ATOM 0 HG13 VAL A 32 -5.988 -6.625 8.166 1.00 33.43 H new ATOM 0 HG21 VAL A 32 -7.602 -4.080 7.824 1.00 5.32 H new ATOM 0 HG22 VAL A 32 -7.975 -5.609 6.995 1.00 5.32 H new ATOM 0 HG23 VAL A 32 -9.228 -4.790 7.958 1.00 5.32 H new ATOM 293 N THR A 33 -8.528 -8.009 11.500 1.00 3.22 N ATOM 294 CA THR A 33 -8.038 -8.771 12.621 1.00 62.20 C ATOM 295 C THR A 33 -8.974 -9.934 12.916 1.00 51.13 C ATOM 296 O THR A 33 -8.956 -10.512 14.009 1.00 3.24 O ATOM 297 CB THR A 33 -7.878 -7.860 13.861 1.00 44.55 C ATOM 298 OG1 THR A 33 -9.084 -7.120 14.090 1.00 73.51 O ATOM 299 CG2 THR A 33 -6.735 -6.886 13.662 1.00 12.13 C ATOM 0 H THR A 33 -9.358 -7.451 11.700 1.00 3.22 H new ATOM 0 HA THR A 33 -7.058 -9.178 12.371 1.00 62.20 H new ATOM 0 HB THR A 33 -7.666 -8.495 14.721 1.00 44.55 H new ATOM 0 HG1 THR A 33 -9.144 -6.385 13.445 1.00 73.51 H new ATOM 0 HG21 THR A 33 -6.638 -6.254 14.545 1.00 12.13 H new ATOM 0 HG22 THR A 33 -5.808 -7.439 13.508 1.00 12.13 H new ATOM 0 HG23 THR A 33 -6.935 -6.263 12.790 1.00 12.13 H new ATOM 307 N LYS A 34 -9.786 -10.279 11.913 1.00 71.35 N ATOM 308 CA LYS A 34 -10.744 -11.366 12.018 1.00 40.10 C ATOM 309 C LYS A 34 -10.005 -12.669 12.262 1.00 53.04 C ATOM 310 O LYS A 34 -8.903 -12.881 11.717 1.00 71.33 O ATOM 311 CB LYS A 34 -11.577 -11.495 10.733 1.00 31.23 C ATOM 312 CG LYS A 34 -13.065 -11.741 10.981 1.00 2.12 C ATOM 313 CD LYS A 34 -13.722 -10.473 11.505 1.00 72.40 C ATOM 314 CE LYS A 34 -15.168 -10.671 11.897 1.00 52.34 C ATOM 315 NZ LYS A 34 -15.813 -9.380 12.262 1.00 63.12 N ATOM 0 H LYS A 34 -9.792 -9.808 11.008 1.00 71.35 H new ATOM 0 HA LYS A 34 -11.416 -11.150 12.849 1.00 40.10 H new ATOM 0 HB2 LYS A 34 -11.463 -10.585 10.145 1.00 31.23 H new ATOM 0 HB3 LYS A 34 -11.178 -12.314 10.134 1.00 31.23 H new ATOM 0 HG2 LYS A 34 -13.549 -12.056 10.056 1.00 2.12 H new ATOM 0 HG3 LYS A 34 -13.193 -12.551 11.700 1.00 2.12 H new ATOM 0 HD2 LYS A 34 -13.164 -10.113 12.369 1.00 72.40 H new ATOM 0 HD3 LYS A 34 -13.662 -9.698 10.741 1.00 72.40 H new ATOM 0 HE2 LYS A 34 -15.711 -11.130 11.071 1.00 52.34 H new ATOM 0 HE3 LYS A 34 -15.227 -11.360 12.739 1.00 52.34 H new ATOM 0 HZ1 LYS A 34 -16.730 -9.566 12.716 1.00 63.12 H new ATOM 0 HZ2 LYS A 34 -15.199 -8.859 12.921 1.00 63.12 H new ATOM 0 HZ3 LYS A 34 -15.961 -8.811 11.404 1.00 63.12 H new ATOM 329 N SER A 35 -10.593 -13.516 13.069 1.00 74.55 N ATOM 330 CA SER A 35 -10.011 -14.794 13.434 1.00 24.33 C ATOM 331 C SER A 35 -9.665 -15.658 12.191 1.00 31.04 C ATOM 332 O SER A 35 -10.404 -15.673 11.203 1.00 74.21 O ATOM 333 CB SER A 35 -10.979 -15.529 14.357 1.00 51.35 C ATOM 334 OG SER A 35 -11.292 -14.721 15.483 1.00 21.45 O ATOM 0 H SER A 35 -11.501 -13.340 13.499 1.00 74.55 H new ATOM 0 HA SER A 35 -9.070 -14.612 13.952 1.00 24.33 H new ATOM 0 HB2 SER A 35 -11.891 -15.779 13.815 1.00 51.35 H new ATOM 0 HB3 SER A 35 -10.536 -16.469 14.686 1.00 51.35 H new ATOM 0 HG SER A 35 -11.915 -15.201 16.067 1.00 21.45 H new ATOM 340 N PRO A 36 -8.523 -16.384 12.230 1.00 32.43 N ATOM 341 CA PRO A 36 -8.066 -17.243 11.113 1.00 41.22 C ATOM 342 C PRO A 36 -8.964 -18.472 10.898 1.00 12.11 C ATOM 343 O PRO A 36 -8.791 -19.230 9.931 1.00 25.42 O ATOM 344 CB PRO A 36 -6.662 -17.674 11.545 1.00 63.21 C ATOM 345 CG PRO A 36 -6.664 -17.555 13.025 1.00 54.13 C ATOM 346 CD PRO A 36 -7.559 -16.395 13.348 1.00 74.01 C ATOM 0 HA PRO A 36 -8.092 -16.711 10.162 1.00 41.22 H new ATOM 0 HB2 PRO A 36 -6.448 -18.696 11.231 1.00 63.21 H new ATOM 0 HB3 PRO A 36 -5.898 -17.037 11.099 1.00 63.21 H new ATOM 0 HG2 PRO A 36 -7.030 -18.471 13.489 1.00 54.13 H new ATOM 0 HG3 PRO A 36 -5.656 -17.387 13.404 1.00 54.13 H new ATOM 0 HD2 PRO A 36 -8.058 -16.528 14.308 1.00 74.01 H new ATOM 0 HD3 PRO A 36 -7.001 -15.461 13.406 1.00 74.01 H new ATOM 354 N ASP A 37 -9.900 -18.671 11.810 1.00 54.14 N ATOM 355 CA ASP A 37 -10.863 -19.770 11.707 1.00 10.42 C ATOM 356 C ASP A 37 -11.970 -19.400 10.734 1.00 0.11 C ATOM 357 O ASP A 37 -12.571 -20.270 10.081 1.00 51.24 O ATOM 358 CB ASP A 37 -11.458 -20.119 13.071 1.00 31.13 C ATOM 359 CG ASP A 37 -12.444 -21.271 12.990 1.00 55.43 C ATOM 360 OD1 ASP A 37 -12.021 -22.406 12.741 1.00 42.45 O ATOM 361 OD2 ASP A 37 -13.662 -21.054 13.193 1.00 45.32 O ATOM 0 H ASP A 37 -10.019 -18.086 12.637 1.00 54.14 H new ATOM 0 HA ASP A 37 -10.335 -20.649 11.337 1.00 10.42 H new ATOM 0 HB2 ASP A 37 -10.654 -20.379 13.760 1.00 31.13 H new ATOM 0 HB3 ASP A 37 -11.959 -19.242 13.482 1.00 31.13 H new ATOM 366 N SER A 38 -12.201 -18.108 10.603 1.00 71.41 N ATOM 367 CA SER A 38 -13.174 -17.572 9.687 1.00 41.01 C ATOM 368 C SER A 38 -12.662 -17.766 8.250 1.00 31.04 C ATOM 369 O SER A 38 -11.500 -18.177 8.061 1.00 22.21 O ATOM 370 CB SER A 38 -13.367 -16.095 10.005 1.00 64.41 C ATOM 371 OG SER A 38 -13.667 -15.919 11.387 1.00 73.33 O ATOM 0 H SER A 38 -11.708 -17.395 11.141 1.00 71.41 H new ATOM 0 HA SER A 38 -14.132 -18.084 9.784 1.00 41.01 H new ATOM 0 HB2 SER A 38 -12.464 -15.540 9.749 1.00 64.41 H new ATOM 0 HB3 SER A 38 -14.175 -15.688 9.396 1.00 64.41 H new ATOM 0 HG SER A 38 -13.787 -14.965 11.577 1.00 73.33 H new ATOM 377 N VAL A 39 -13.490 -17.464 7.258 1.00 1.51 N ATOM 378 CA VAL A 39 -13.139 -17.680 5.850 1.00 32.33 C ATOM 379 C VAL A 39 -11.797 -17.043 5.483 1.00 64.45 C ATOM 380 O VAL A 39 -10.878 -17.744 5.017 1.00 73.35 O ATOM 381 CB VAL A 39 -14.233 -17.121 4.901 1.00 43.22 C ATOM 382 CG1 VAL A 39 -13.827 -17.260 3.431 1.00 54.23 C ATOM 383 CG2 VAL A 39 -15.571 -17.800 5.157 1.00 11.44 C ATOM 0 H VAL A 39 -14.418 -17.065 7.399 1.00 1.51 H new ATOM 0 HA VAL A 39 -13.061 -18.760 5.723 1.00 32.33 H new ATOM 0 HB VAL A 39 -14.341 -16.058 5.115 1.00 43.22 H new ATOM 0 HG11 VAL A 39 -14.617 -16.858 2.796 1.00 54.23 H new ATOM 0 HG12 VAL A 39 -12.904 -16.708 3.255 1.00 54.23 H new ATOM 0 HG13 VAL A 39 -13.671 -18.313 3.195 1.00 54.23 H new ATOM 0 HG21 VAL A 39 -16.322 -17.392 4.480 1.00 11.44 H new ATOM 0 HG22 VAL A 39 -15.473 -18.872 4.986 1.00 11.44 H new ATOM 0 HG23 VAL A 39 -15.877 -17.623 6.188 1.00 11.44 H new ATOM 393 N ASN A 40 -11.670 -15.754 5.770 1.00 74.13 N ATOM 394 CA ASN A 40 -10.496 -14.967 5.404 1.00 20.24 C ATOM 395 C ASN A 40 -10.749 -13.505 5.737 1.00 21.05 C ATOM 396 O ASN A 40 -11.821 -12.980 5.443 1.00 45.41 O ATOM 397 CB ASN A 40 -10.236 -15.128 3.891 1.00 11.01 C ATOM 398 CG ASN A 40 -9.099 -14.316 3.335 1.00 45.22 C ATOM 399 OD1 ASN A 40 -8.146 -13.968 4.028 1.00 33.12 O ATOM 400 ND2 ASN A 40 -9.179 -14.046 2.065 1.00 73.43 N ATOM 0 H ASN A 40 -12.383 -15.220 6.267 1.00 74.13 H new ATOM 0 HA ASN A 40 -9.624 -15.313 5.959 1.00 20.24 H new ATOM 0 HB2 ASN A 40 -10.042 -16.180 3.684 1.00 11.01 H new ATOM 0 HB3 ASN A 40 -11.146 -14.860 3.354 1.00 11.01 H new ATOM 0 HD21 ASN A 40 -8.431 -13.525 1.606 1.00 73.43 H new ATOM 0 HD22 ASN A 40 -9.989 -14.355 1.528 1.00 73.43 H new ATOM 407 N SER A 41 -9.780 -12.860 6.344 1.00 71.22 N ATOM 408 CA SER A 41 -9.871 -11.443 6.699 1.00 60.35 C ATOM 409 C SER A 41 -10.125 -10.595 5.444 1.00 73.31 C ATOM 410 O SER A 41 -10.957 -9.674 5.447 1.00 31.14 O ATOM 411 CB SER A 41 -8.570 -11.010 7.374 1.00 13.04 C ATOM 412 OG SER A 41 -8.262 -11.872 8.467 1.00 61.43 O ATOM 0 H SER A 41 -8.898 -13.296 6.611 1.00 71.22 H new ATOM 0 HA SER A 41 -10.704 -11.295 7.387 1.00 60.35 H new ATOM 0 HB2 SER A 41 -7.755 -11.026 6.650 1.00 13.04 H new ATOM 0 HB3 SER A 41 -8.662 -9.983 7.728 1.00 13.04 H new ATOM 0 HG SER A 41 -7.425 -11.582 8.887 1.00 61.43 H new ATOM 418 N GLU A 42 -9.468 -10.985 4.356 1.00 31.40 N ATOM 419 CA GLU A 42 -9.571 -10.307 3.080 1.00 34.11 C ATOM 420 C GLU A 42 -10.981 -10.503 2.487 1.00 61.05 C ATOM 421 O GLU A 42 -11.430 -9.734 1.676 1.00 21.25 O ATOM 422 CB GLU A 42 -8.498 -10.854 2.128 1.00 53.53 C ATOM 423 CG GLU A 42 -8.431 -10.177 0.773 1.00 3.34 C ATOM 424 CD GLU A 42 -8.011 -8.741 0.865 1.00 64.50 C ATOM 425 OE1 GLU A 42 -6.818 -8.467 0.676 1.00 2.00 O ATOM 426 OE2 GLU A 42 -8.873 -7.895 1.130 1.00 2.01 O ATOM 0 H GLU A 42 -8.843 -11.791 4.341 1.00 31.40 H new ATOM 0 HA GLU A 42 -9.409 -9.238 3.219 1.00 34.11 H new ATOM 0 HB2 GLU A 42 -7.525 -10.761 2.611 1.00 53.53 H new ATOM 0 HB3 GLU A 42 -8.678 -11.918 1.976 1.00 53.53 H new ATOM 0 HG2 GLU A 42 -7.730 -10.716 0.136 1.00 3.34 H new ATOM 0 HG3 GLU A 42 -9.408 -10.236 0.293 1.00 3.34 H new ATOM 433 N HIS A 43 -11.692 -11.533 2.940 1.00 4.22 N ATOM 434 CA HIS A 43 -13.044 -11.787 2.448 1.00 11.13 C ATOM 435 C HIS A 43 -13.944 -10.659 2.916 1.00 34.44 C ATOM 436 O HIS A 43 -14.683 -10.044 2.130 1.00 52.45 O ATOM 437 CB HIS A 43 -13.556 -13.144 2.968 1.00 4.13 C ATOM 438 CG HIS A 43 -14.933 -13.528 2.521 1.00 3.22 C ATOM 439 ND1 HIS A 43 -16.068 -13.349 3.277 1.00 42.44 N ATOM 440 CD2 HIS A 43 -15.335 -14.133 1.387 1.00 44.22 C ATOM 441 CE1 HIS A 43 -17.094 -13.845 2.595 1.00 42.10 C ATOM 442 NE2 HIS A 43 -16.703 -14.337 1.431 1.00 23.33 N ATOM 0 H HIS A 43 -11.360 -12.198 3.638 1.00 4.22 H new ATOM 0 HA HIS A 43 -13.044 -11.828 1.359 1.00 11.13 H new ATOM 0 HB2 HIS A 43 -12.860 -13.921 2.651 1.00 4.13 H new ATOM 0 HB3 HIS A 43 -13.539 -13.126 4.058 1.00 4.13 H new ATOM 0 HD1 HIS A 43 -16.114 -12.913 4.198 1.00 42.44 H new ATOM 0 HD2 HIS A 43 -14.689 -14.416 0.569 1.00 44.22 H new ATOM 0 HE1 HIS A 43 -18.116 -13.846 2.945 1.00 42.10 H new ATOM 450 N GLU A 44 -13.822 -10.350 4.183 1.00 3.24 N ATOM 451 CA GLU A 44 -14.581 -9.328 4.791 1.00 14.33 C ATOM 452 C GLU A 44 -14.106 -7.984 4.295 1.00 21.03 C ATOM 453 O GLU A 44 -14.900 -7.078 4.118 1.00 33.34 O ATOM 454 CB GLU A 44 -14.418 -9.442 6.274 1.00 34.30 C ATOM 455 CG GLU A 44 -14.772 -10.816 6.792 1.00 22.23 C ATOM 456 CD GLU A 44 -16.220 -11.178 6.555 1.00 4.42 C ATOM 457 OE1 GLU A 44 -17.098 -10.733 7.334 1.00 51.40 O ATOM 458 OE2 GLU A 44 -16.499 -11.939 5.593 1.00 52.22 O ATOM 0 H GLU A 44 -13.176 -10.820 4.817 1.00 3.24 H new ATOM 0 HA GLU A 44 -15.636 -9.427 4.537 1.00 14.33 H new ATOM 0 HB2 GLU A 44 -13.387 -9.211 6.542 1.00 34.30 H new ATOM 0 HB3 GLU A 44 -15.048 -8.699 6.763 1.00 34.30 H new ATOM 0 HG2 GLU A 44 -14.134 -11.556 6.310 1.00 22.23 H new ATOM 0 HG3 GLU A 44 -14.561 -10.861 7.860 1.00 22.23 H new ATOM 465 N LEU A 45 -12.808 -7.868 4.040 1.00 74.31 N ATOM 466 CA LEU A 45 -12.265 -6.648 3.513 1.00 14.41 C ATOM 467 C LEU A 45 -12.788 -6.391 2.103 1.00 64.20 C ATOM 468 O LEU A 45 -13.245 -5.290 1.806 1.00 40.42 O ATOM 469 CB LEU A 45 -10.738 -6.637 3.569 1.00 42.54 C ATOM 470 CG LEU A 45 -10.076 -5.355 3.079 1.00 51.11 C ATOM 471 CD1 LEU A 45 -10.599 -4.152 3.835 1.00 53.22 C ATOM 472 CD2 LEU A 45 -8.561 -5.440 3.188 1.00 24.14 C ATOM 0 H LEU A 45 -12.124 -8.609 4.193 1.00 74.31 H new ATOM 0 HA LEU A 45 -12.604 -5.828 4.146 1.00 14.41 H new ATOM 0 HB2 LEU A 45 -10.428 -6.816 4.598 1.00 42.54 H new ATOM 0 HB3 LEU A 45 -10.363 -7.470 2.974 1.00 42.54 H new ATOM 0 HG LEU A 45 -10.331 -5.234 2.026 1.00 51.11 H new ATOM 0 HD11 LEU A 45 -10.111 -3.250 3.466 1.00 53.22 H new ATOM 0 HD12 LEU A 45 -11.676 -4.069 3.686 1.00 53.22 H new ATOM 0 HD13 LEU A 45 -10.388 -4.270 4.898 1.00 53.22 H new ATOM 0 HD21 LEU A 45 -8.118 -4.510 2.831 1.00 24.14 H new ATOM 0 HD22 LEU A 45 -8.279 -5.600 4.229 1.00 24.14 H new ATOM 0 HD23 LEU A 45 -8.199 -6.271 2.582 1.00 24.14 H new ATOM 484 N ALA A 46 -12.777 -7.417 1.261 1.00 63.22 N ATOM 485 CA ALA A 46 -13.319 -7.325 -0.093 1.00 23.11 C ATOM 486 C ALA A 46 -14.802 -6.976 -0.056 1.00 73.55 C ATOM 487 O ALA A 46 -15.321 -6.260 -0.922 1.00 65.45 O ATOM 488 CB ALA A 46 -13.093 -8.621 -0.862 1.00 34.12 C ATOM 0 H ALA A 46 -12.394 -8.333 1.494 1.00 63.22 H new ATOM 0 HA ALA A 46 -12.790 -6.527 -0.613 1.00 23.11 H new ATOM 0 HB1 ALA A 46 -13.506 -8.525 -1.866 1.00 34.12 H new ATOM 0 HB2 ALA A 46 -12.024 -8.824 -0.927 1.00 34.12 H new ATOM 0 HB3 ALA A 46 -13.587 -9.443 -0.344 1.00 34.12 H new ATOM 494 N HIS A 47 -15.471 -7.475 0.953 1.00 43.53 N ATOM 495 CA HIS A 47 -16.874 -7.184 1.173 1.00 75.20 C ATOM 496 C HIS A 47 -17.042 -5.717 1.625 1.00 61.41 C ATOM 497 O HIS A 47 -17.947 -5.011 1.173 1.00 15.42 O ATOM 498 CB HIS A 47 -17.440 -8.161 2.220 1.00 3.10 C ATOM 499 CG HIS A 47 -18.918 -8.073 2.443 1.00 62.42 C ATOM 500 ND1 HIS A 47 -19.833 -8.845 1.772 1.00 23.54 N ATOM 501 CD2 HIS A 47 -19.634 -7.304 3.298 1.00 15.12 C ATOM 502 CE1 HIS A 47 -21.041 -8.538 2.220 1.00 32.14 C ATOM 503 NE2 HIS A 47 -20.982 -7.606 3.152 1.00 63.30 N ATOM 0 H HIS A 47 -15.061 -8.097 1.650 1.00 43.53 H new ATOM 0 HA HIS A 47 -17.430 -7.314 0.244 1.00 75.20 H new ATOM 0 HB2 HIS A 47 -17.195 -9.178 1.914 1.00 3.10 H new ATOM 0 HB3 HIS A 47 -16.935 -7.984 3.169 1.00 3.10 H new ATOM 0 HD2 HIS A 47 -19.224 -6.575 3.981 1.00 15.12 H new ATOM 0 HE1 HIS A 47 -21.956 -8.992 1.868 1.00 32.14 H new ATOM 0 HE2 HIS A 47 -21.764 -7.193 3.660 1.00 63.30 H new ATOM 511 N PHE A 48 -16.129 -5.268 2.464 1.00 34.23 N ATOM 512 CA PHE A 48 -16.124 -3.930 3.033 1.00 53.33 C ATOM 513 C PHE A 48 -15.845 -2.897 1.961 1.00 10.33 C ATOM 514 O PHE A 48 -16.464 -1.825 1.930 1.00 63.12 O ATOM 515 CB PHE A 48 -15.054 -3.873 4.132 1.00 3.21 C ATOM 516 CG PHE A 48 -14.800 -2.522 4.726 1.00 14.14 C ATOM 517 CD1 PHE A 48 -15.533 -2.075 5.799 1.00 54.12 C ATOM 518 CD2 PHE A 48 -13.816 -1.705 4.200 1.00 0.44 C ATOM 519 CE1 PHE A 48 -15.294 -0.829 6.347 1.00 64.43 C ATOM 520 CE2 PHE A 48 -13.568 -0.462 4.735 1.00 32.23 C ATOM 521 CZ PHE A 48 -14.307 -0.023 5.810 1.00 73.23 C ATOM 0 H PHE A 48 -15.346 -5.840 2.779 1.00 34.23 H new ATOM 0 HA PHE A 48 -17.102 -3.706 3.460 1.00 53.33 H new ATOM 0 HB2 PHE A 48 -15.347 -4.552 4.933 1.00 3.21 H new ATOM 0 HB3 PHE A 48 -14.118 -4.250 3.721 1.00 3.21 H new ATOM 0 HD1 PHE A 48 -16.304 -2.704 6.219 1.00 54.12 H new ATOM 0 HD2 PHE A 48 -13.234 -2.048 3.357 1.00 0.44 H new ATOM 0 HE1 PHE A 48 -15.875 -0.487 7.190 1.00 64.43 H new ATOM 0 HE2 PHE A 48 -12.797 0.166 4.314 1.00 32.23 H new ATOM 0 HZ PHE A 48 -14.116 0.952 6.234 1.00 73.23 H new ATOM 531 N LEU A 49 -14.925 -3.226 1.076 1.00 72.35 N ATOM 532 CA LEU A 49 -14.546 -2.339 0.003 1.00 52.24 C ATOM 533 C LEU A 49 -15.506 -2.460 -1.161 1.00 43.32 C ATOM 534 O LEU A 49 -15.323 -1.823 -2.173 1.00 31.04 O ATOM 535 CB LEU A 49 -13.087 -2.576 -0.431 1.00 34.43 C ATOM 536 CG LEU A 49 -12.740 -3.952 -1.010 1.00 52.44 C ATOM 537 CD1 LEU A 49 -13.077 -4.076 -2.497 1.00 2.12 C ATOM 538 CD2 LEU A 49 -11.304 -4.289 -0.739 1.00 33.02 C ATOM 0 H LEU A 49 -14.423 -4.114 1.083 1.00 72.35 H new ATOM 0 HA LEU A 49 -14.607 -1.316 0.373 1.00 52.24 H new ATOM 0 HB2 LEU A 49 -12.830 -1.822 -1.175 1.00 34.43 H new ATOM 0 HB3 LEU A 49 -12.446 -2.402 0.433 1.00 34.43 H new ATOM 0 HG LEU A 49 -13.369 -4.682 -0.500 1.00 52.44 H new ATOM 0 HD11 LEU A 49 -12.809 -5.072 -2.849 1.00 2.12 H new ATOM 0 HD12 LEU A 49 -14.145 -3.915 -2.643 1.00 2.12 H new ATOM 0 HD13 LEU A 49 -12.518 -3.329 -3.060 1.00 2.12 H new ATOM 0 HD21 LEU A 49 -11.075 -5.269 -1.157 1.00 33.02 H new ATOM 0 HD22 LEU A 49 -10.661 -3.539 -1.200 1.00 33.02 H new ATOM 0 HD23 LEU A 49 -11.131 -4.304 0.337 1.00 33.02 H new ATOM 550 N GLY A 50 -16.501 -3.310 -0.995 1.00 71.40 N ATOM 551 CA GLY A 50 -17.556 -3.493 -1.991 1.00 53.02 C ATOM 552 C GLY A 50 -18.093 -2.172 -2.562 1.00 10.51 C ATOM 553 O GLY A 50 -18.034 -1.964 -3.766 1.00 63.45 O ATOM 0 H GLY A 50 -16.607 -3.897 -0.167 1.00 71.40 H new ATOM 0 HA2 GLY A 50 -17.172 -4.104 -2.808 1.00 53.02 H new ATOM 0 HA3 GLY A 50 -18.379 -4.046 -1.539 1.00 53.02 H new ATOM 557 N PRO A 51 -18.622 -1.250 -1.725 1.00 62.11 N ATOM 558 CA PRO A 51 -19.061 0.062 -2.198 1.00 14.11 C ATOM 559 C PRO A 51 -17.889 1.055 -2.330 1.00 52.14 C ATOM 560 O PRO A 51 -18.051 2.144 -2.856 1.00 30.34 O ATOM 561 CB PRO A 51 -20.043 0.546 -1.109 1.00 32.34 C ATOM 562 CG PRO A 51 -20.082 -0.527 -0.057 1.00 22.41 C ATOM 563 CD PRO A 51 -18.899 -1.422 -0.288 1.00 0.31 C ATOM 0 HA PRO A 51 -19.508 -0.001 -3.190 1.00 14.11 H new ATOM 0 HB2 PRO A 51 -19.713 1.494 -0.683 1.00 32.34 H new ATOM 0 HB3 PRO A 51 -21.035 0.713 -1.529 1.00 32.34 H new ATOM 0 HG2 PRO A 51 -20.043 -0.089 0.940 1.00 22.41 H new ATOM 0 HG3 PRO A 51 -21.011 -1.094 -0.120 1.00 22.41 H new ATOM 0 HD2 PRO A 51 -18.046 -1.128 0.324 1.00 0.31 H new ATOM 0 HD3 PRO A 51 -19.125 -2.460 -0.043 1.00 0.31 H new ATOM 571 N HIS A 52 -16.717 0.638 -1.887 1.00 54.43 N ATOM 572 CA HIS A 52 -15.524 1.487 -1.839 1.00 14.45 C ATOM 573 C HIS A 52 -14.526 1.037 -2.902 1.00 35.11 C ATOM 574 O HIS A 52 -13.339 1.185 -2.703 1.00 45.05 O ATOM 575 CB HIS A 52 -14.835 1.376 -0.455 1.00 73.13 C ATOM 576 CG HIS A 52 -15.612 1.869 0.746 1.00 72.32 C ATOM 577 ND1 HIS A 52 -15.050 2.630 1.753 1.00 34.22 N ATOM 578 CD2 HIS A 52 -16.897 1.653 1.123 1.00 3.32 C ATOM 579 CE1 HIS A 52 -15.978 2.847 2.680 1.00 44.42 C ATOM 580 NE2 HIS A 52 -17.124 2.275 2.350 1.00 3.33 N ATOM 0 H HIS A 52 -16.557 -0.309 -1.545 1.00 54.43 H new ATOM 0 HA HIS A 52 -15.833 2.517 -2.017 1.00 14.45 H new ATOM 0 HB2 HIS A 52 -14.582 0.329 -0.287 1.00 73.13 H new ATOM 0 HB3 HIS A 52 -13.896 1.928 -0.500 1.00 73.13 H new ATOM 0 HD2 HIS A 52 -17.628 1.089 0.562 1.00 3.32 H new ATOM 0 HE1 HIS A 52 -15.817 3.416 3.584 1.00 44.42 H new ATOM 0 HE2 HIS A 52 -17.994 2.287 2.883 1.00 3.33 H new ATOM 588 N ASP A 53 -15.060 0.527 -4.031 1.00 44.10 N ATOM 589 CA ASP A 53 -14.346 0.020 -5.206 1.00 44.44 C ATOM 590 C ASP A 53 -13.340 1.088 -5.742 1.00 14.11 C ATOM 591 O ASP A 53 -13.737 2.050 -6.414 1.00 0.44 O ATOM 592 CB ASP A 53 -15.485 -0.230 -6.246 1.00 34.11 C ATOM 593 CG ASP A 53 -15.093 -0.839 -7.562 1.00 0.35 C ATOM 594 OD1 ASP A 53 -14.617 -0.117 -8.461 1.00 63.53 O ATOM 595 OD2 ASP A 53 -15.310 -2.060 -7.754 1.00 11.41 O ATOM 0 H ASP A 53 -16.071 0.457 -4.147 1.00 44.10 H new ATOM 0 HA ASP A 53 -13.758 -0.873 -4.993 1.00 44.44 H new ATOM 0 HB2 ASP A 53 -16.229 -0.878 -5.783 1.00 34.11 H new ATOM 0 HB3 ASP A 53 -15.974 0.723 -6.447 1.00 34.11 H new ATOM 600 N PRO A 54 -12.020 0.957 -5.375 1.00 13.14 N ATOM 601 CA PRO A 54 -10.974 1.925 -5.692 1.00 65.31 C ATOM 602 C PRO A 54 -9.888 1.361 -6.657 1.00 13.03 C ATOM 603 O PRO A 54 -10.174 0.570 -7.544 1.00 52.25 O ATOM 604 CB PRO A 54 -10.378 2.070 -4.289 1.00 12.44 C ATOM 605 CG PRO A 54 -10.393 0.658 -3.733 1.00 32.44 C ATOM 606 CD PRO A 54 -11.438 -0.111 -4.540 1.00 50.45 C ATOM 0 HA PRO A 54 -11.332 2.826 -6.190 1.00 65.31 H new ATOM 0 HB2 PRO A 54 -9.366 2.473 -4.325 1.00 12.44 H new ATOM 0 HB3 PRO A 54 -10.969 2.747 -3.673 1.00 12.44 H new ATOM 0 HG2 PRO A 54 -9.411 0.193 -3.826 1.00 32.44 H new ATOM 0 HG3 PRO A 54 -10.646 0.661 -2.673 1.00 32.44 H new ATOM 0 HD2 PRO A 54 -10.990 -0.902 -5.141 1.00 50.45 H new ATOM 0 HD3 PRO A 54 -12.184 -0.582 -3.900 1.00 50.45 H new ATOM 614 N GLU A 55 -8.658 1.818 -6.487 1.00 2.44 N ATOM 615 CA GLU A 55 -7.537 1.318 -7.250 1.00 5.34 C ATOM 616 C GLU A 55 -6.744 0.376 -6.383 1.00 23.11 C ATOM 617 O GLU A 55 -6.403 0.716 -5.240 1.00 43.11 O ATOM 618 CB GLU A 55 -6.615 2.454 -7.729 1.00 34.41 C ATOM 619 CG GLU A 55 -7.223 3.447 -8.717 1.00 4.32 C ATOM 620 CD GLU A 55 -8.275 4.355 -8.119 1.00 42.13 C ATOM 621 OE1 GLU A 55 -7.918 5.288 -7.379 1.00 74.44 O ATOM 622 OE2 GLU A 55 -9.488 4.170 -8.404 1.00 3.50 O ATOM 0 H GLU A 55 -8.414 2.546 -5.815 1.00 2.44 H new ATOM 0 HA GLU A 55 -7.926 0.808 -8.131 1.00 5.34 H new ATOM 0 HB2 GLU A 55 -6.272 3.008 -6.855 1.00 34.41 H new ATOM 0 HB3 GLU A 55 -5.734 2.008 -8.190 1.00 34.41 H new ATOM 0 HG2 GLU A 55 -6.425 4.061 -9.135 1.00 4.32 H new ATOM 0 HG3 GLU A 55 -7.666 2.893 -9.545 1.00 4.32 H new ATOM 629 N ILE A 56 -6.475 -0.796 -6.882 1.00 4.11 N ATOM 630 CA ILE A 56 -5.685 -1.741 -6.146 1.00 4.34 C ATOM 631 C ILE A 56 -4.322 -1.850 -6.795 1.00 33.30 C ATOM 632 O ILE A 56 -4.203 -2.304 -7.882 1.00 14.33 O ATOM 633 CB ILE A 56 -6.360 -3.151 -6.049 1.00 74.54 C ATOM 634 CG1 ILE A 56 -7.657 -3.107 -5.229 1.00 71.15 C ATOM 635 CG2 ILE A 56 -5.414 -4.176 -5.478 1.00 73.22 C ATOM 636 CD1 ILE A 56 -8.920 -3.126 -6.062 1.00 3.23 C ATOM 0 H ILE A 56 -6.791 -1.120 -7.796 1.00 4.11 H new ATOM 0 HA ILE A 56 -5.591 -1.376 -5.123 1.00 4.34 H new ATOM 0 HB ILE A 56 -6.615 -3.448 -7.066 1.00 74.54 H new ATOM 0 HG12 ILE A 56 -7.672 -3.958 -4.548 1.00 71.15 H new ATOM 0 HG13 ILE A 56 -7.654 -2.207 -4.614 1.00 71.15 H new ATOM 0 HG21 ILE A 56 -5.914 -5.143 -5.424 1.00 73.22 H new ATOM 0 HG22 ILE A 56 -4.536 -4.257 -6.118 1.00 73.22 H new ATOM 0 HG23 ILE A 56 -5.107 -3.870 -4.478 1.00 73.22 H new ATOM 0 HD11 ILE A 56 -9.789 -3.092 -5.405 1.00 3.23 H new ATOM 0 HD12 ILE A 56 -8.932 -2.261 -6.724 1.00 3.23 H new ATOM 0 HD13 ILE A 56 -8.950 -4.039 -6.657 1.00 3.23 H new ATOM 648 N TYR A 57 -3.319 -1.396 -6.141 1.00 51.44 N ATOM 649 CA TYR A 57 -1.987 -1.442 -6.692 1.00 11.34 C ATOM 650 C TYR A 57 -1.242 -2.641 -6.211 1.00 54.41 C ATOM 651 O TYR A 57 -0.850 -2.699 -5.099 1.00 12.51 O ATOM 652 CB TYR A 57 -1.217 -0.186 -6.351 1.00 33.22 C ATOM 653 CG TYR A 57 -1.656 1.025 -7.122 1.00 4.14 C ATOM 654 CD1 TYR A 57 -1.028 1.366 -8.302 1.00 33.12 C ATOM 655 CD2 TYR A 57 -2.696 1.828 -6.674 1.00 31.44 C ATOM 656 CE1 TYR A 57 -1.415 2.476 -9.019 1.00 43.53 C ATOM 657 CE2 TYR A 57 -3.094 2.938 -7.387 1.00 55.12 C ATOM 658 CZ TYR A 57 -2.452 3.258 -8.558 1.00 32.21 C ATOM 659 OH TYR A 57 -2.839 4.370 -9.272 1.00 73.32 O ATOM 0 H TYR A 57 -3.381 -0.981 -5.211 1.00 51.44 H new ATOM 0 HA TYR A 57 -2.086 -1.510 -7.775 1.00 11.34 H new ATOM 0 HB2 TYR A 57 -1.324 0.016 -5.285 1.00 33.22 H new ATOM 0 HB3 TYR A 57 -0.157 -0.359 -6.538 1.00 33.22 H new ATOM 0 HD1 TYR A 57 -0.219 0.752 -8.670 1.00 33.12 H new ATOM 0 HD2 TYR A 57 -3.201 1.579 -5.752 1.00 31.44 H new ATOM 0 HE1 TYR A 57 -0.909 2.732 -9.938 1.00 43.53 H new ATOM 0 HE2 TYR A 57 -3.906 3.553 -7.027 1.00 55.12 H new ATOM 0 HH TYR A 57 -3.584 4.811 -8.812 1.00 73.32 H new ATOM 669 N VAL A 58 -1.010 -3.568 -7.059 1.00 23.14 N ATOM 670 CA VAL A 58 -0.319 -4.770 -6.662 1.00 2.02 C ATOM 671 C VAL A 58 1.043 -4.753 -7.271 1.00 0.24 C ATOM 672 O VAL A 58 1.181 -4.730 -8.492 1.00 74.22 O ATOM 673 CB VAL A 58 -1.086 -6.062 -7.031 1.00 10.51 C ATOM 674 CG1 VAL A 58 -0.244 -7.314 -6.782 1.00 22.15 C ATOM 675 CG2 VAL A 58 -2.358 -6.157 -6.231 1.00 25.24 C ATOM 0 H VAL A 58 -1.283 -3.534 -8.041 1.00 23.14 H new ATOM 0 HA VAL A 58 -0.246 -4.782 -5.575 1.00 2.02 H new ATOM 0 HB VAL A 58 -1.316 -6.009 -8.095 1.00 10.51 H new ATOM 0 HG11 VAL A 58 -0.819 -8.199 -7.054 1.00 22.15 H new ATOM 0 HG12 VAL A 58 0.662 -7.270 -7.387 1.00 22.15 H new ATOM 0 HG13 VAL A 58 0.026 -7.367 -5.727 1.00 22.15 H new ATOM 0 HG21 VAL A 58 -2.889 -7.070 -6.499 1.00 25.24 H new ATOM 0 HG22 VAL A 58 -2.119 -6.175 -5.168 1.00 25.24 H new ATOM 0 HG23 VAL A 58 -2.988 -5.294 -6.446 1.00 25.24 H new ATOM 685 N ASN A 59 2.039 -4.668 -6.402 1.00 40.25 N ATOM 686 CA ASN A 59 3.463 -4.578 -6.770 1.00 1.12 C ATOM 687 C ASN A 59 3.731 -3.288 -7.535 1.00 52.50 C ATOM 688 O ASN A 59 4.743 -3.136 -8.220 1.00 14.30 O ATOM 689 CB ASN A 59 3.921 -5.813 -7.575 1.00 45.11 C ATOM 690 CG ASN A 59 3.844 -7.105 -6.770 1.00 75.42 C ATOM 691 OD1 ASN A 59 4.009 -7.110 -5.532 1.00 75.13 O ATOM 692 ND2 ASN A 59 3.593 -8.196 -7.444 1.00 73.05 N ATOM 0 H ASN A 59 1.886 -4.659 -5.394 1.00 40.25 H new ATOM 0 HA ASN A 59 4.049 -4.561 -5.851 1.00 1.12 H new ATOM 0 HB2 ASN A 59 3.303 -5.909 -8.467 1.00 45.11 H new ATOM 0 HB3 ASN A 59 4.946 -5.661 -7.912 1.00 45.11 H new ATOM 0 HD21 ASN A 59 3.526 -9.091 -6.959 1.00 73.05 H new ATOM 0 HD22 ASN A 59 3.464 -8.153 -8.455 1.00 73.05 H new ATOM 699 N GLY A 60 2.830 -2.337 -7.358 1.00 30.42 N ATOM 700 CA GLY A 60 2.935 -1.069 -8.025 1.00 34.32 C ATOM 701 C GLY A 60 2.058 -1.001 -9.255 1.00 41.15 C ATOM 702 O GLY A 60 1.856 0.068 -9.814 1.00 61.33 O ATOM 0 H GLY A 60 2.015 -2.429 -6.752 1.00 30.42 H new ATOM 0 HA2 GLY A 60 2.655 -0.273 -7.336 1.00 34.32 H new ATOM 0 HA3 GLY A 60 3.973 -0.894 -8.310 1.00 34.32 H new ATOM 706 N LYS A 61 1.505 -2.132 -9.653 1.00 34.22 N ATOM 707 CA LYS A 61 0.699 -2.217 -10.836 1.00 11.14 C ATOM 708 C LYS A 61 -0.737 -2.042 -10.489 1.00 3.43 C ATOM 709 O LYS A 61 -1.242 -2.691 -9.579 1.00 43.15 O ATOM 710 CB LYS A 61 0.946 -3.527 -11.581 1.00 65.13 C ATOM 711 CG LYS A 61 2.371 -3.695 -12.089 1.00 31.41 C ATOM 712 CD LYS A 61 2.735 -2.603 -13.079 1.00 52.22 C ATOM 713 CE LYS A 61 4.139 -2.772 -13.611 1.00 74.10 C ATOM 714 NZ LYS A 61 4.503 -1.665 -14.516 1.00 43.14 N ATOM 0 H LYS A 61 1.609 -3.016 -9.156 1.00 34.22 H new ATOM 0 HA LYS A 61 0.985 -1.411 -11.511 1.00 11.14 H new ATOM 0 HB2 LYS A 61 0.707 -4.359 -10.919 1.00 65.13 H new ATOM 0 HB3 LYS A 61 0.261 -3.586 -12.427 1.00 65.13 H new ATOM 0 HG2 LYS A 61 3.064 -3.673 -11.248 1.00 31.41 H new ATOM 0 HG3 LYS A 61 2.478 -4.670 -12.564 1.00 31.41 H new ATOM 0 HD2 LYS A 61 2.028 -2.615 -13.909 1.00 52.22 H new ATOM 0 HD3 LYS A 61 2.644 -1.630 -12.596 1.00 52.22 H new ATOM 0 HE2 LYS A 61 4.843 -2.813 -12.780 1.00 74.10 H new ATOM 0 HE3 LYS A 61 4.218 -3.721 -14.142 1.00 74.10 H new ATOM 0 HZ1 LYS A 61 5.472 -1.807 -14.866 1.00 43.14 H new ATOM 0 HZ2 LYS A 61 3.844 -1.643 -15.320 1.00 43.14 H new ATOM 0 HZ3 LYS A 61 4.450 -0.763 -14.000 1.00 43.14 H new ATOM 728 N ILE A 62 -1.387 -1.182 -11.203 1.00 13.14 N ATOM 729 CA ILE A 62 -2.736 -0.846 -10.915 1.00 11.13 C ATOM 730 C ILE A 62 -3.656 -1.981 -11.406 1.00 21.44 C ATOM 731 O ILE A 62 -3.635 -2.399 -12.567 1.00 73.34 O ATOM 732 CB ILE A 62 -3.115 0.580 -11.496 1.00 2.54 C ATOM 733 CG1 ILE A 62 -4.318 1.241 -10.767 1.00 1.32 C ATOM 734 CG2 ILE A 62 -3.346 0.555 -12.996 1.00 2.01 C ATOM 735 CD1 ILE A 62 -5.658 0.575 -10.926 1.00 33.14 C ATOM 0 H ILE A 62 -0.992 -0.692 -12.006 1.00 13.14 H new ATOM 0 HA ILE A 62 -2.875 -0.756 -9.838 1.00 11.13 H new ATOM 0 HB ILE A 62 -2.242 1.203 -11.302 1.00 2.54 H new ATOM 0 HG12 ILE A 62 -4.086 1.288 -9.703 1.00 1.32 H new ATOM 0 HG13 ILE A 62 -4.406 2.269 -11.120 1.00 1.32 H new ATOM 0 HG21 ILE A 62 -3.602 1.557 -13.341 1.00 2.01 H new ATOM 0 HG22 ILE A 62 -2.439 0.219 -13.498 1.00 2.01 H new ATOM 0 HG23 ILE A 62 -4.163 -0.129 -13.227 1.00 2.01 H new ATOM 0 HD11 ILE A 62 -6.410 1.134 -10.369 1.00 33.14 H new ATOM 0 HD12 ILE A 62 -5.930 0.552 -11.981 1.00 33.14 H new ATOM 0 HD13 ILE A 62 -5.606 -0.444 -10.543 1.00 33.14 H new ATOM 747 N GLN A 63 -4.369 -2.510 -10.496 1.00 31.45 N ATOM 748 CA GLN A 63 -5.282 -3.575 -10.722 1.00 44.12 C ATOM 749 C GLN A 63 -6.650 -3.030 -10.435 1.00 4.10 C ATOM 750 O GLN A 63 -6.838 -2.255 -9.459 1.00 64.11 O ATOM 751 CB GLN A 63 -5.019 -4.743 -9.751 1.00 45.24 C ATOM 752 CG GLN A 63 -3.564 -5.194 -9.626 1.00 74.23 C ATOM 753 CD GLN A 63 -2.949 -5.697 -10.913 1.00 1.34 C ATOM 754 OE1 GLN A 63 -3.625 -6.236 -11.784 1.00 14.32 O ATOM 755 NE2 GLN A 63 -1.659 -5.526 -11.036 1.00 43.41 N ATOM 0 H GLN A 63 -4.338 -2.205 -9.523 1.00 31.45 H new ATOM 0 HA GLN A 63 -5.179 -3.945 -11.742 1.00 44.12 H new ATOM 0 HB2 GLN A 63 -5.376 -4.455 -8.762 1.00 45.24 H new ATOM 0 HB3 GLN A 63 -5.617 -5.597 -10.070 1.00 45.24 H new ATOM 0 HG2 GLN A 63 -2.969 -4.359 -9.256 1.00 74.23 H new ATOM 0 HG3 GLN A 63 -3.505 -5.984 -8.877 1.00 74.23 H new ATOM 0 HE21 GLN A 63 -1.131 -5.073 -10.290 1.00 43.41 H new ATOM 0 HE22 GLN A 63 -1.180 -5.845 -11.878 1.00 43.41 H new ATOM 764 N THR A 64 -7.584 -3.366 -11.255 1.00 2.15 N ATOM 765 CA THR A 64 -8.917 -2.950 -11.039 1.00 1.41 C ATOM 766 C THR A 64 -9.533 -3.828 -9.931 1.00 20.54 C ATOM 767 O THR A 64 -8.964 -4.872 -9.555 1.00 24.44 O ATOM 768 CB THR A 64 -9.753 -2.989 -12.364 1.00 1.45 C ATOM 769 OG1 THR A 64 -11.048 -2.402 -12.158 1.00 41.32 O ATOM 770 CG2 THR A 64 -9.932 -4.404 -12.878 1.00 13.51 C ATOM 0 H THR A 64 -7.442 -3.935 -12.090 1.00 2.15 H new ATOM 0 HA THR A 64 -8.929 -1.910 -10.712 1.00 1.41 H new ATOM 0 HB THR A 64 -9.197 -2.417 -13.107 1.00 1.45 H new ATOM 0 HG1 THR A 64 -11.558 -2.432 -12.995 1.00 41.32 H new ATOM 0 HG21 THR A 64 -10.517 -4.386 -13.798 1.00 13.51 H new ATOM 0 HG22 THR A 64 -8.955 -4.845 -13.078 1.00 13.51 H new ATOM 0 HG23 THR A 64 -10.453 -5.000 -12.129 1.00 13.51 H new ATOM 778 N THR A 65 -10.668 -3.427 -9.447 1.00 11.13 N ATOM 779 CA THR A 65 -11.358 -4.080 -8.351 1.00 52.34 C ATOM 780 C THR A 65 -11.767 -5.490 -8.745 1.00 62.25 C ATOM 781 O THR A 65 -11.748 -6.422 -7.936 1.00 15.44 O ATOM 782 CB THR A 65 -12.542 -3.194 -7.981 1.00 33.21 C ATOM 783 OG1 THR A 65 -13.331 -2.982 -9.151 1.00 55.53 O ATOM 784 CG2 THR A 65 -11.977 -1.869 -7.597 1.00 75.54 C ATOM 0 H THR A 65 -11.164 -2.612 -9.807 1.00 11.13 H new ATOM 0 HA THR A 65 -10.714 -4.197 -7.479 1.00 52.34 H new ATOM 0 HB THR A 65 -13.137 -3.644 -7.186 1.00 33.21 H new ATOM 0 HG1 THR A 65 -14.278 -2.938 -8.903 1.00 55.53 H new ATOM 0 HG21 THR A 65 -12.787 -1.194 -7.322 1.00 75.54 H new ATOM 0 HG22 THR A 65 -11.304 -1.993 -6.749 1.00 75.54 H new ATOM 0 HG23 THR A 65 -11.426 -1.450 -8.439 1.00 75.54 H new ATOM 792 N THR A 66 -12.068 -5.628 -10.013 1.00 51.34 N ATOM 793 CA THR A 66 -12.369 -6.899 -10.620 1.00 10.23 C ATOM 794 C THR A 66 -11.131 -7.833 -10.532 1.00 73.43 C ATOM 795 O THR A 66 -11.230 -8.994 -10.137 1.00 32.42 O ATOM 796 CB THR A 66 -12.721 -6.679 -12.098 1.00 21.25 C ATOM 797 OG1 THR A 66 -13.680 -5.606 -12.212 1.00 10.43 O ATOM 798 CG2 THR A 66 -13.286 -7.948 -12.705 1.00 71.34 C ATOM 0 H THR A 66 -12.111 -4.844 -10.664 1.00 51.34 H new ATOM 0 HA THR A 66 -13.208 -7.357 -10.096 1.00 10.23 H new ATOM 0 HB THR A 66 -11.814 -6.413 -12.641 1.00 21.25 H new ATOM 0 HG1 THR A 66 -13.903 -5.465 -13.156 1.00 10.43 H new ATOM 0 HG21 THR A 66 -13.530 -7.773 -13.753 1.00 71.34 H new ATOM 0 HG22 THR A 66 -12.547 -8.746 -12.633 1.00 71.34 H new ATOM 0 HG23 THR A 66 -14.188 -8.239 -12.166 1.00 71.34 H new ATOM 806 N ALA A 67 -9.972 -7.286 -10.886 1.00 64.43 N ATOM 807 CA ALA A 67 -8.704 -8.008 -10.879 1.00 31.23 C ATOM 808 C ALA A 67 -8.326 -8.400 -9.467 1.00 61.11 C ATOM 809 O ALA A 67 -7.925 -9.526 -9.229 1.00 34.55 O ATOM 810 CB ALA A 67 -7.605 -7.181 -11.530 1.00 53.01 C ATOM 0 H ALA A 67 -9.886 -6.316 -11.190 1.00 64.43 H new ATOM 0 HA ALA A 67 -8.824 -8.920 -11.464 1.00 31.23 H new ATOM 0 HB1 ALA A 67 -6.670 -7.741 -11.513 1.00 53.01 H new ATOM 0 HB2 ALA A 67 -7.878 -6.962 -12.562 1.00 53.01 H new ATOM 0 HB3 ALA A 67 -7.479 -6.247 -10.982 1.00 53.01 H new ATOM 816 N PHE A 68 -8.470 -7.461 -8.537 1.00 31.01 N ATOM 817 CA PHE A 68 -8.253 -7.724 -7.111 1.00 2.12 C ATOM 818 C PHE A 68 -9.087 -8.900 -6.667 1.00 43.13 C ATOM 819 O PHE A 68 -8.568 -9.860 -6.110 1.00 11.41 O ATOM 820 CB PHE A 68 -8.624 -6.490 -6.292 1.00 21.11 C ATOM 821 CG PHE A 68 -8.811 -6.735 -4.809 1.00 25.51 C ATOM 822 CD1 PHE A 68 -10.087 -6.784 -4.267 1.00 33.24 C ATOM 823 CD2 PHE A 68 -7.731 -6.926 -3.973 1.00 62.03 C ATOM 824 CE1 PHE A 68 -10.278 -7.021 -2.927 1.00 74.21 C ATOM 825 CE2 PHE A 68 -7.919 -7.162 -2.626 1.00 22.02 C ATOM 826 CZ PHE A 68 -9.193 -7.209 -2.105 1.00 44.25 C ATOM 0 H PHE A 68 -8.739 -6.499 -8.745 1.00 31.01 H new ATOM 0 HA PHE A 68 -7.200 -7.956 -6.953 1.00 2.12 H new ATOM 0 HB2 PHE A 68 -7.846 -5.738 -6.425 1.00 21.11 H new ATOM 0 HB3 PHE A 68 -9.546 -6.070 -6.694 1.00 21.11 H new ATOM 0 HD1 PHE A 68 -10.943 -6.634 -4.908 1.00 33.24 H new ATOM 0 HD2 PHE A 68 -6.729 -6.891 -4.376 1.00 62.03 H new ATOM 0 HE1 PHE A 68 -11.278 -7.059 -2.521 1.00 74.21 H new ATOM 0 HE2 PHE A 68 -7.066 -7.310 -1.980 1.00 22.02 H new ATOM 0 HZ PHE A 68 -9.339 -7.394 -1.051 1.00 44.25 H new ATOM 836 N LEU A 69 -10.379 -8.799 -6.928 1.00 41.33 N ATOM 837 CA LEU A 69 -11.343 -9.867 -6.604 1.00 2.23 C ATOM 838 C LEU A 69 -10.869 -11.223 -7.180 1.00 54.41 C ATOM 839 O LEU A 69 -10.961 -12.264 -6.511 1.00 30.02 O ATOM 840 CB LEU A 69 -12.761 -9.453 -7.101 1.00 35.01 C ATOM 841 CG LEU A 69 -14.003 -10.277 -6.652 1.00 31.23 C ATOM 842 CD1 LEU A 69 -14.067 -11.666 -7.281 1.00 22.55 C ATOM 843 CD2 LEU A 69 -14.070 -10.366 -5.136 1.00 35.11 C ATOM 0 H LEU A 69 -10.801 -7.982 -7.369 1.00 41.33 H new ATOM 0 HA LEU A 69 -11.402 -10.002 -5.524 1.00 2.23 H new ATOM 0 HB2 LEU A 69 -12.926 -8.420 -6.793 1.00 35.01 H new ATOM 0 HB3 LEU A 69 -12.740 -9.462 -8.191 1.00 35.01 H new ATOM 0 HG LEU A 69 -14.877 -9.737 -7.016 1.00 31.23 H new ATOM 0 HD11 LEU A 69 -14.957 -12.186 -6.925 1.00 22.55 H new ATOM 0 HD12 LEU A 69 -14.111 -11.572 -8.366 1.00 22.55 H new ATOM 0 HD13 LEU A 69 -13.179 -12.233 -7.001 1.00 22.55 H new ATOM 0 HD21 LEU A 69 -14.945 -10.946 -4.844 1.00 35.11 H new ATOM 0 HD22 LEU A 69 -13.170 -10.853 -4.760 1.00 35.11 H new ATOM 0 HD23 LEU A 69 -14.143 -9.363 -4.715 1.00 35.11 H new ATOM 855 N GLN A 70 -10.356 -11.194 -8.391 1.00 74.40 N ATOM 856 CA GLN A 70 -9.783 -12.358 -9.019 1.00 64.00 C ATOM 857 C GLN A 70 -8.599 -12.909 -8.212 1.00 72.24 C ATOM 858 O GLN A 70 -8.600 -14.073 -7.836 1.00 63.32 O ATOM 859 CB GLN A 70 -9.366 -12.022 -10.437 1.00 4.34 C ATOM 860 CG GLN A 70 -10.525 -11.869 -11.392 1.00 31.15 C ATOM 861 CD GLN A 70 -10.098 -11.384 -12.748 1.00 61.52 C ATOM 862 OE1 GLN A 70 -9.752 -12.168 -13.627 1.00 50.10 O ATOM 863 NE2 GLN A 70 -10.153 -10.107 -12.945 1.00 1.50 N ATOM 0 H GLN A 70 -10.326 -10.354 -8.969 1.00 74.40 H new ATOM 0 HA GLN A 70 -10.541 -13.141 -9.049 1.00 64.00 H new ATOM 0 HB2 GLN A 70 -8.791 -11.096 -10.427 1.00 4.34 H new ATOM 0 HB3 GLN A 70 -8.704 -12.805 -10.806 1.00 4.34 H new ATOM 0 HG2 GLN A 70 -11.033 -12.828 -11.497 1.00 31.15 H new ATOM 0 HG3 GLN A 70 -11.247 -11.170 -10.971 1.00 31.15 H new ATOM 0 HE21 GLN A 70 -10.445 -9.487 -12.190 1.00 1.50 H new ATOM 0 HE22 GLN A 70 -9.904 -9.720 -13.855 1.00 1.50 H new ATOM 872 N PHE A 71 -7.644 -12.049 -7.873 1.00 21.45 N ATOM 873 CA PHE A 71 -6.439 -12.474 -7.134 1.00 21.02 C ATOM 874 C PHE A 71 -6.821 -13.004 -5.752 1.00 72.24 C ATOM 875 O PHE A 71 -6.196 -13.928 -5.206 1.00 61.45 O ATOM 876 CB PHE A 71 -5.441 -11.314 -6.992 1.00 74.41 C ATOM 877 CG PHE A 71 -4.913 -10.767 -8.295 1.00 70.12 C ATOM 878 CD1 PHE A 71 -4.376 -11.610 -9.258 1.00 11.11 C ATOM 879 CD2 PHE A 71 -4.941 -9.409 -8.546 1.00 51.25 C ATOM 880 CE1 PHE A 71 -3.885 -11.103 -10.444 1.00 11.43 C ATOM 881 CE2 PHE A 71 -4.454 -8.897 -9.730 1.00 72.53 C ATOM 882 CZ PHE A 71 -3.925 -9.744 -10.681 1.00 32.31 C ATOM 0 H PHE A 71 -7.672 -11.053 -8.093 1.00 21.45 H new ATOM 0 HA PHE A 71 -5.961 -13.272 -7.702 1.00 21.02 H new ATOM 0 HB2 PHE A 71 -5.923 -10.505 -6.444 1.00 74.41 H new ATOM 0 HB3 PHE A 71 -4.598 -11.651 -6.388 1.00 74.41 H new ATOM 0 HD1 PHE A 71 -4.342 -12.674 -9.077 1.00 11.11 H new ATOM 0 HD2 PHE A 71 -5.350 -8.739 -7.804 1.00 51.25 H new ATOM 0 HE1 PHE A 71 -3.470 -11.769 -11.186 1.00 11.43 H new ATOM 0 HE2 PHE A 71 -4.487 -7.833 -9.913 1.00 72.53 H new ATOM 0 HZ PHE A 71 -3.543 -9.345 -11.609 1.00 32.31 H new ATOM 892 N PHE A 72 -7.856 -12.418 -5.217 1.00 15.22 N ATOM 893 CA PHE A 72 -8.445 -12.788 -3.962 1.00 54.33 C ATOM 894 C PHE A 72 -8.979 -14.215 -4.004 1.00 14.32 C ATOM 895 O PHE A 72 -8.593 -15.051 -3.175 1.00 62.03 O ATOM 896 CB PHE A 72 -9.533 -11.758 -3.624 1.00 62.24 C ATOM 897 CG PHE A 72 -10.560 -12.205 -2.650 1.00 4.14 C ATOM 898 CD1 PHE A 72 -10.307 -12.215 -1.303 1.00 32.40 C ATOM 899 CD2 PHE A 72 -11.796 -12.613 -3.106 1.00 55.14 C ATOM 900 CE1 PHE A 72 -11.271 -12.622 -0.419 1.00 41.13 C ATOM 901 CE2 PHE A 72 -12.763 -13.023 -2.239 1.00 32.53 C ATOM 902 CZ PHE A 72 -12.506 -13.030 -0.888 1.00 42.11 C ATOM 0 H PHE A 72 -8.332 -11.635 -5.665 1.00 15.22 H new ATOM 0 HA PHE A 72 -7.694 -12.779 -3.172 1.00 54.33 H new ATOM 0 HB2 PHE A 72 -9.051 -10.863 -3.231 1.00 62.24 H new ATOM 0 HB3 PHE A 72 -10.035 -11.470 -4.548 1.00 62.24 H new ATOM 0 HD1 PHE A 72 -9.341 -11.900 -0.936 1.00 32.40 H new ATOM 0 HD2 PHE A 72 -12.000 -12.607 -4.167 1.00 55.14 H new ATOM 0 HE1 PHE A 72 -11.067 -12.624 0.642 1.00 41.13 H new ATOM 0 HE2 PHE A 72 -13.726 -13.341 -2.610 1.00 32.53 H new ATOM 0 HZ PHE A 72 -13.268 -13.354 -0.194 1.00 42.11 H new ATOM 912 N ARG A 73 -9.813 -14.511 -4.983 1.00 41.52 N ATOM 913 CA ARG A 73 -10.401 -15.833 -5.101 1.00 72.40 C ATOM 914 C ARG A 73 -9.346 -16.854 -5.539 1.00 73.45 C ATOM 915 O ARG A 73 -9.506 -18.054 -5.336 1.00 12.44 O ATOM 916 CB ARG A 73 -11.610 -15.825 -6.051 1.00 14.43 C ATOM 917 CG ARG A 73 -11.266 -15.561 -7.501 1.00 21.23 C ATOM 918 CD ARG A 73 -12.500 -15.381 -8.347 1.00 35.10 C ATOM 919 NE ARG A 73 -12.162 -15.205 -9.757 1.00 23.11 N ATOM 920 CZ ARG A 73 -12.878 -14.518 -10.645 1.00 54.34 C ATOM 921 NH1 ARG A 73 -13.990 -13.903 -10.275 1.00 41.15 N ATOM 922 NH2 ARG A 73 -12.479 -14.461 -11.909 1.00 34.21 N ATOM 0 H ARG A 73 -10.099 -13.854 -5.709 1.00 41.52 H new ATOM 0 HA ARG A 73 -10.768 -16.131 -4.119 1.00 72.40 H new ATOM 0 HB2 ARG A 73 -12.118 -16.787 -5.980 1.00 14.43 H new ATOM 0 HB3 ARG A 73 -12.316 -15.066 -5.714 1.00 14.43 H new ATOM 0 HG2 ARG A 73 -10.645 -14.668 -7.570 1.00 21.23 H new ATOM 0 HG3 ARG A 73 -10.676 -16.390 -7.891 1.00 21.23 H new ATOM 0 HD2 ARG A 73 -13.150 -16.249 -8.233 1.00 35.10 H new ATOM 0 HD3 ARG A 73 -13.060 -14.515 -7.995 1.00 35.10 H new ATOM 0 HE ARG A 73 -11.305 -15.646 -10.090 1.00 23.11 H new ATOM 0 HH11 ARG A 73 -14.302 -13.954 -9.305 1.00 41.15 H new ATOM 0 HH12 ARG A 73 -14.534 -13.378 -10.959 1.00 41.15 H new ATOM 0 HH21 ARG A 73 -11.627 -14.942 -12.197 1.00 34.21 H new ATOM 0 HH22 ARG A 73 -13.024 -13.936 -12.593 1.00 34.21 H new ATOM 936 N GLN A 74 -8.259 -16.360 -6.136 1.00 20.44 N ATOM 937 CA GLN A 74 -7.135 -17.210 -6.504 1.00 60.32 C ATOM 938 C GLN A 74 -6.289 -17.559 -5.278 1.00 44.13 C ATOM 939 O GLN A 74 -5.374 -18.377 -5.355 1.00 41.13 O ATOM 940 CB GLN A 74 -6.267 -16.575 -7.597 1.00 71.41 C ATOM 941 CG GLN A 74 -6.980 -16.397 -8.924 1.00 70.40 C ATOM 942 CD GLN A 74 -6.122 -15.725 -9.964 1.00 3.50 C ATOM 943 OE1 GLN A 74 -6.102 -14.500 -10.073 1.00 52.43 O ATOM 944 NE2 GLN A 74 -5.429 -16.504 -10.749 1.00 25.44 N ATOM 0 H GLN A 74 -8.138 -15.375 -6.373 1.00 20.44 H new ATOM 0 HA GLN A 74 -7.551 -18.131 -6.912 1.00 60.32 H new ATOM 0 HB2 GLN A 74 -5.918 -15.602 -7.250 1.00 71.41 H new ATOM 0 HB3 GLN A 74 -5.383 -17.195 -7.751 1.00 71.41 H new ATOM 0 HG2 GLN A 74 -7.295 -17.372 -9.295 1.00 70.40 H new ATOM 0 HG3 GLN A 74 -7.884 -15.807 -8.769 1.00 70.40 H new ATOM 0 HE21 GLN A 74 -5.470 -17.516 -10.629 1.00 25.44 H new ATOM 0 HE22 GLN A 74 -4.846 -16.101 -11.482 1.00 25.44 H new ATOM 953 N GLY A 75 -6.575 -16.911 -4.159 1.00 70.43 N ATOM 954 CA GLY A 75 -5.919 -17.245 -2.922 1.00 53.12 C ATOM 955 C GLY A 75 -4.673 -16.447 -2.655 1.00 24.25 C ATOM 956 O GLY A 75 -3.983 -16.694 -1.671 1.00 30.24 O ATOM 0 H GLY A 75 -7.256 -16.155 -4.091 1.00 70.43 H new ATOM 0 HA2 GLY A 75 -6.618 -17.094 -2.100 1.00 53.12 H new ATOM 0 HA3 GLY A 75 -5.664 -18.305 -2.933 1.00 53.12 H new ATOM 960 N LEU A 76 -4.408 -15.451 -3.478 1.00 33.15 N ATOM 961 CA LEU A 76 -3.177 -14.676 -3.347 1.00 52.31 C ATOM 962 C LEU A 76 -3.133 -13.877 -2.051 1.00 11.43 C ATOM 963 O LEU A 76 -2.072 -13.640 -1.493 1.00 12.42 O ATOM 964 CB LEU A 76 -2.942 -13.765 -4.566 1.00 42.43 C ATOM 965 CG LEU A 76 -2.800 -14.476 -5.924 1.00 10.43 C ATOM 966 CD1 LEU A 76 -2.364 -13.499 -7.000 1.00 75.40 C ATOM 967 CD2 LEU A 76 -1.829 -15.642 -5.844 1.00 72.54 C ATOM 0 H LEU A 76 -5.019 -15.157 -4.240 1.00 33.15 H new ATOM 0 HA LEU A 76 -2.361 -15.398 -3.309 1.00 52.31 H new ATOM 0 HB2 LEU A 76 -3.771 -13.060 -4.633 1.00 42.43 H new ATOM 0 HB3 LEU A 76 -2.039 -13.180 -4.389 1.00 42.43 H new ATOM 0 HG LEU A 76 -3.780 -14.873 -6.189 1.00 10.43 H new ATOM 0 HD11 LEU A 76 -2.270 -14.023 -7.951 1.00 75.40 H new ATOM 0 HD12 LEU A 76 -3.106 -12.706 -7.094 1.00 75.40 H new ATOM 0 HD13 LEU A 76 -1.402 -13.064 -6.729 1.00 75.40 H new ATOM 0 HD21 LEU A 76 -1.754 -16.120 -6.821 1.00 72.54 H new ATOM 0 HD22 LEU A 76 -0.847 -15.278 -5.542 1.00 72.54 H new ATOM 0 HD23 LEU A 76 -2.189 -16.366 -5.112 1.00 72.54 H new ATOM 979 N PHE A 77 -4.289 -13.500 -1.552 1.00 73.42 N ATOM 980 CA PHE A 77 -4.345 -12.718 -0.330 1.00 35.35 C ATOM 981 C PHE A 77 -4.653 -13.587 0.890 1.00 12.54 C ATOM 982 O PHE A 77 -4.910 -13.079 1.972 1.00 12.44 O ATOM 983 CB PHE A 77 -5.344 -11.574 -0.460 1.00 74.20 C ATOM 984 CG PHE A 77 -5.058 -10.676 -1.626 1.00 64.44 C ATOM 985 CD1 PHE A 77 -5.951 -10.586 -2.666 1.00 0.41 C ATOM 986 CD2 PHE A 77 -3.879 -9.952 -1.696 1.00 15.22 C ATOM 987 CE1 PHE A 77 -5.689 -9.800 -3.757 1.00 64.22 C ATOM 988 CE2 PHE A 77 -3.609 -9.154 -2.790 1.00 71.51 C ATOM 989 CZ PHE A 77 -4.521 -9.079 -3.825 1.00 5.44 C ATOM 0 H PHE A 77 -5.196 -13.717 -1.965 1.00 73.42 H new ATOM 0 HA PHE A 77 -3.356 -12.287 -0.174 1.00 35.35 H new ATOM 0 HB2 PHE A 77 -6.348 -11.986 -0.563 1.00 74.20 H new ATOM 0 HB3 PHE A 77 -5.334 -10.984 0.457 1.00 74.20 H new ATOM 0 HD1 PHE A 77 -6.875 -11.144 -2.623 1.00 0.41 H new ATOM 0 HD2 PHE A 77 -3.165 -10.012 -0.888 1.00 15.22 H new ATOM 0 HE1 PHE A 77 -6.402 -9.747 -4.566 1.00 64.22 H new ATOM 0 HE2 PHE A 77 -2.689 -8.591 -2.836 1.00 71.51 H new ATOM 0 HZ PHE A 77 -4.317 -8.457 -4.684 1.00 5.44 H new ATOM 999 N LYS A 78 -4.568 -14.905 0.735 1.00 64.43 N ATOM 1000 CA LYS A 78 -4.798 -15.816 1.869 1.00 72.12 C ATOM 1001 C LYS A 78 -3.641 -15.727 2.870 1.00 24.32 C ATOM 1002 O LYS A 78 -3.764 -16.124 4.030 1.00 12.02 O ATOM 1003 CB LYS A 78 -5.011 -17.258 1.386 1.00 11.00 C ATOM 1004 CG LYS A 78 -6.316 -17.472 0.611 1.00 2.52 C ATOM 1005 CD LYS A 78 -7.560 -17.449 1.504 1.00 63.22 C ATOM 1006 CE LYS A 78 -7.626 -18.686 2.400 1.00 0.23 C ATOM 1007 NZ LYS A 78 -8.836 -18.711 3.249 1.00 51.15 N ATOM 0 H LYS A 78 -4.346 -15.368 -0.147 1.00 64.43 H new ATOM 0 HA LYS A 78 -5.710 -15.506 2.379 1.00 72.12 H new ATOM 0 HB2 LYS A 78 -4.173 -17.545 0.751 1.00 11.00 H new ATOM 0 HB3 LYS A 78 -5.000 -17.924 2.249 1.00 11.00 H new ATOM 0 HG2 LYS A 78 -6.409 -16.698 -0.151 1.00 2.52 H new ATOM 0 HG3 LYS A 78 -6.269 -18.428 0.090 1.00 2.52 H new ATOM 0 HD2 LYS A 78 -7.550 -16.551 2.121 1.00 63.22 H new ATOM 0 HD3 LYS A 78 -8.455 -17.399 0.883 1.00 63.22 H new ATOM 0 HE2 LYS A 78 -7.604 -19.581 1.779 1.00 0.23 H new ATOM 0 HE3 LYS A 78 -6.741 -18.717 3.035 1.00 0.23 H new ATOM 0 HZ1 LYS A 78 -8.883 -19.615 3.760 1.00 51.15 H new ATOM 0 HZ2 LYS A 78 -8.796 -17.928 3.933 1.00 51.15 H new ATOM 0 HZ3 LYS A 78 -9.681 -18.607 2.652 1.00 51.15 H new ATOM 1021 N LYS A 79 -2.530 -15.179 2.417 1.00 0.30 N ATOM 1022 CA LYS A 79 -1.380 -14.937 3.276 1.00 34.01 C ATOM 1023 C LYS A 79 -1.559 -13.628 4.028 1.00 0.21 C ATOM 1024 O LYS A 79 -0.999 -13.427 5.100 1.00 21.31 O ATOM 1025 CB LYS A 79 -0.104 -14.821 2.457 1.00 0.01 C ATOM 1026 CG LYS A 79 0.289 -16.044 1.667 1.00 23.44 C ATOM 1027 CD LYS A 79 1.587 -15.769 0.948 1.00 3.12 C ATOM 1028 CE LYS A 79 2.124 -16.972 0.201 1.00 22.43 C ATOM 1029 NZ LYS A 79 3.401 -16.652 -0.473 1.00 11.10 N ATOM 0 H LYS A 79 -2.396 -14.889 1.448 1.00 0.30 H new ATOM 0 HA LYS A 79 -1.305 -15.777 3.967 1.00 34.01 H new ATOM 0 HB2 LYS A 79 -0.215 -13.986 1.765 1.00 0.01 H new ATOM 0 HB3 LYS A 79 0.715 -14.570 3.131 1.00 0.01 H new ATOM 0 HG2 LYS A 79 0.401 -16.901 2.331 1.00 23.44 H new ATOM 0 HG3 LYS A 79 -0.492 -16.296 0.950 1.00 23.44 H new ATOM 0 HD2 LYS A 79 1.438 -14.950 0.245 1.00 3.12 H new ATOM 0 HD3 LYS A 79 2.332 -15.437 1.671 1.00 3.12 H new ATOM 0 HE2 LYS A 79 2.273 -17.799 0.895 1.00 22.43 H new ATOM 0 HE3 LYS A 79 1.393 -17.303 -0.536 1.00 22.43 H new ATOM 0 HZ1 LYS A 79 3.748 -17.493 -0.977 1.00 11.10 H new ATOM 0 HZ2 LYS A 79 3.251 -15.878 -1.152 1.00 11.10 H new ATOM 0 HZ3 LYS A 79 4.104 -16.359 0.236 1.00 11.10 H new ATOM 1043 N LEU A 80 -2.391 -12.759 3.482 1.00 62.44 N ATOM 1044 CA LEU A 80 -2.540 -11.410 3.994 1.00 33.43 C ATOM 1045 C LEU A 80 -3.382 -11.386 5.270 1.00 42.14 C ATOM 1046 O LEU A 80 -3.478 -10.376 5.943 1.00 61.13 O ATOM 1047 CB LEU A 80 -3.129 -10.493 2.918 1.00 13.22 C ATOM 1048 CG LEU A 80 -3.115 -8.995 3.221 1.00 51.33 C ATOM 1049 CD1 LEU A 80 -1.683 -8.481 3.330 1.00 73.23 C ATOM 1050 CD2 LEU A 80 -3.878 -8.236 2.159 1.00 64.51 C ATOM 0 H LEU A 80 -2.979 -12.968 2.675 1.00 62.44 H new ATOM 0 HA LEU A 80 -1.551 -11.035 4.257 1.00 33.43 H new ATOM 0 HB2 LEU A 80 -2.582 -10.659 1.990 1.00 13.22 H new ATOM 0 HB3 LEU A 80 -4.161 -10.796 2.738 1.00 13.22 H new ATOM 0 HG LEU A 80 -3.607 -8.832 4.180 1.00 51.33 H new ATOM 0 HD11 LEU A 80 -1.695 -7.413 3.546 1.00 73.23 H new ATOM 0 HD12 LEU A 80 -1.168 -9.008 4.133 1.00 73.23 H new ATOM 0 HD13 LEU A 80 -1.161 -8.655 2.389 1.00 73.23 H new ATOM 0 HD21 LEU A 80 -3.859 -7.171 2.389 1.00 64.51 H new ATOM 0 HD22 LEU A 80 -3.415 -8.406 1.187 1.00 64.51 H new ATOM 0 HD23 LEU A 80 -4.911 -8.584 2.135 1.00 64.51 H new ATOM 1062 N LYS A 81 -3.949 -12.519 5.634 1.00 63.13 N ATOM 1063 CA LYS A 81 -4.718 -12.598 6.869 1.00 31.44 C ATOM 1064 C LYS A 81 -3.782 -12.665 8.089 1.00 2.14 C ATOM 1065 O LYS A 81 -4.217 -12.665 9.231 1.00 51.42 O ATOM 1066 CB LYS A 81 -5.770 -13.744 6.821 1.00 4.43 C ATOM 1067 CG LYS A 81 -5.245 -15.164 6.577 1.00 75.31 C ATOM 1068 CD LYS A 81 -4.591 -15.775 7.807 1.00 72.30 C ATOM 1069 CE LYS A 81 -4.095 -17.192 7.550 1.00 72.21 C ATOM 1070 NZ LYS A 81 -2.977 -17.251 6.571 1.00 32.13 N ATOM 0 H LYS A 81 -3.896 -13.389 5.104 1.00 63.13 H new ATOM 0 HA LYS A 81 -5.299 -11.682 6.977 1.00 31.44 H new ATOM 0 HB2 LYS A 81 -6.315 -13.742 7.765 1.00 4.43 H new ATOM 0 HB3 LYS A 81 -6.490 -13.510 6.037 1.00 4.43 H new ATOM 0 HG2 LYS A 81 -6.070 -15.800 6.257 1.00 75.31 H new ATOM 0 HG3 LYS A 81 -4.523 -15.143 5.761 1.00 75.31 H new ATOM 0 HD2 LYS A 81 -3.755 -15.150 8.120 1.00 72.30 H new ATOM 0 HD3 LYS A 81 -5.306 -15.786 8.629 1.00 72.30 H new ATOM 0 HE2 LYS A 81 -3.769 -17.633 8.492 1.00 72.21 H new ATOM 0 HE3 LYS A 81 -4.923 -17.799 7.184 1.00 72.21 H new ATOM 0 HZ1 LYS A 81 -2.672 -18.238 6.451 1.00 32.13 H new ATOM 0 HZ2 LYS A 81 -3.296 -16.874 5.656 1.00 32.13 H new ATOM 0 HZ3 LYS A 81 -2.179 -16.683 6.920 1.00 32.13 H new ATOM 1084 N ASP A 82 -2.489 -12.716 7.808 1.00 64.14 N ATOM 1085 CA ASP A 82 -1.447 -12.709 8.825 1.00 34.23 C ATOM 1086 C ASP A 82 -0.846 -11.334 8.942 1.00 25.21 C ATOM 1087 O ASP A 82 0.190 -11.151 9.590 1.00 25.21 O ATOM 1088 CB ASP A 82 -0.326 -13.694 8.479 1.00 64.52 C ATOM 1089 CG ASP A 82 -0.704 -15.128 8.669 1.00 75.43 C ATOM 1090 OD1 ASP A 82 -1.049 -15.807 7.677 1.00 65.31 O ATOM 1091 OD2 ASP A 82 -0.644 -15.613 9.820 1.00 22.34 O ATOM 0 H ASP A 82 -2.129 -12.764 6.855 1.00 64.14 H new ATOM 0 HA ASP A 82 -1.909 -13.005 9.767 1.00 34.23 H new ATOM 0 HB2 ASP A 82 -0.027 -13.541 7.442 1.00 64.52 H new ATOM 0 HB3 ASP A 82 0.544 -13.472 9.097 1.00 64.52 H new ATOM 1096 N ALA A 83 -1.478 -10.372 8.313 1.00 10.00 N ATOM 1097 CA ALA A 83 -0.979 -9.026 8.308 1.00 74.14 C ATOM 1098 C ALA A 83 -1.230 -8.318 9.615 1.00 71.11 C ATOM 1099 O ALA A 83 -2.354 -8.327 10.153 1.00 30.15 O ATOM 1100 CB ALA A 83 -1.534 -8.231 7.151 1.00 51.20 C ATOM 0 H ALA A 83 -2.347 -10.503 7.795 1.00 10.00 H new ATOM 0 HA ALA A 83 0.101 -9.098 8.181 1.00 74.14 H new ATOM 0 HB1 ALA A 83 -1.134 -7.218 7.181 1.00 51.20 H new ATOM 0 HB2 ALA A 83 -1.249 -8.707 6.213 1.00 51.20 H new ATOM 0 HB3 ALA A 83 -2.621 -8.194 7.223 1.00 51.20 H new ATOM 1106 N GLU A 84 -0.190 -7.732 10.127 1.00 24.41 N ATOM 1107 CA GLU A 84 -0.228 -6.981 11.341 1.00 63.14 C ATOM 1108 C GLU A 84 0.015 -5.518 11.048 1.00 71.42 C ATOM 1109 O GLU A 84 0.721 -5.179 10.092 1.00 41.10 O ATOM 1110 CB GLU A 84 0.779 -7.527 12.334 1.00 3.53 C ATOM 1111 CG GLU A 84 0.414 -8.907 12.847 1.00 5.35 C ATOM 1112 CD GLU A 84 1.446 -9.476 13.768 1.00 63.30 C ATOM 1113 OE1 GLU A 84 2.033 -10.526 13.435 1.00 11.42 O ATOM 1114 OE2 GLU A 84 1.709 -8.883 14.835 1.00 75.04 O ATOM 0 H GLU A 84 0.734 -7.766 9.697 1.00 24.41 H new ATOM 0 HA GLU A 84 -1.216 -7.076 11.792 1.00 63.14 H new ATOM 0 HB2 GLU A 84 1.761 -7.568 11.862 1.00 3.53 H new ATOM 0 HB3 GLU A 84 0.859 -6.841 13.177 1.00 3.53 H new ATOM 0 HG2 GLU A 84 -0.542 -8.854 13.368 1.00 5.35 H new ATOM 0 HG3 GLU A 84 0.279 -9.580 12.000 1.00 5.35 H new ATOM 1121 N PHE A 85 -0.560 -4.673 11.862 1.00 52.42 N ATOM 1122 CA PHE A 85 -0.524 -3.237 11.673 1.00 22.12 C ATOM 1123 C PHE A 85 0.862 -2.679 11.979 1.00 33.41 C ATOM 1124 O PHE A 85 1.441 -2.960 13.035 1.00 64.20 O ATOM 1125 CB PHE A 85 -1.597 -2.588 12.566 1.00 31.14 C ATOM 1126 CG PHE A 85 -1.698 -1.093 12.464 1.00 23.51 C ATOM 1127 CD1 PHE A 85 -2.325 -0.503 11.382 1.00 72.15 C ATOM 1128 CD2 PHE A 85 -1.187 -0.278 13.463 1.00 14.33 C ATOM 1129 CE1 PHE A 85 -2.436 0.866 11.292 1.00 34.30 C ATOM 1130 CE2 PHE A 85 -1.293 1.092 13.376 1.00 44.12 C ATOM 1131 CZ PHE A 85 -1.919 1.666 12.291 1.00 11.53 C ATOM 0 H PHE A 85 -1.077 -4.963 12.692 1.00 52.42 H new ATOM 0 HA PHE A 85 -0.738 -3.004 10.630 1.00 22.12 H new ATOM 0 HB2 PHE A 85 -2.566 -3.019 12.314 1.00 31.14 H new ATOM 0 HB3 PHE A 85 -1.391 -2.852 13.603 1.00 31.14 H new ATOM 0 HD1 PHE A 85 -2.733 -1.124 10.598 1.00 72.15 H new ATOM 0 HD2 PHE A 85 -0.701 -0.723 14.319 1.00 14.33 H new ATOM 0 HE1 PHE A 85 -2.927 1.314 10.441 1.00 34.30 H new ATOM 0 HE2 PHE A 85 -0.886 1.716 14.158 1.00 44.12 H new ATOM 0 HZ PHE A 85 -2.005 2.740 12.222 1.00 11.53 H new ATOM 1300 N GLU A 97 -5.988 15.389 2.090 1.00 41.32 N ATOM 1301 CA GLU A 97 -5.806 14.987 3.458 1.00 53.41 C ATOM 1302 C GLU A 97 -6.289 13.560 3.617 1.00 0.31 C ATOM 1303 O GLU A 97 -7.443 13.247 3.322 1.00 72.13 O ATOM 1304 CB GLU A 97 -6.478 15.970 4.447 1.00 71.13 C ATOM 1305 CG GLU A 97 -7.956 16.254 4.202 1.00 73.21 C ATOM 1306 CD GLU A 97 -8.527 17.210 5.219 1.00 11.31 C ATOM 1307 OE1 GLU A 97 -9.030 16.763 6.270 1.00 4.12 O ATOM 1308 OE2 GLU A 97 -8.481 18.439 4.992 1.00 13.35 O ATOM 0 HA GLU A 97 -4.746 15.020 3.709 1.00 53.41 H new ATOM 0 HB2 GLU A 97 -6.366 15.573 5.456 1.00 71.13 H new ATOM 0 HB3 GLU A 97 -5.936 16.915 4.415 1.00 71.13 H new ATOM 0 HG2 GLU A 97 -8.084 16.670 3.203 1.00 73.21 H new ATOM 0 HG3 GLU A 97 -8.514 15.318 4.232 1.00 73.21 H new ATOM 1315 N GLY A 98 -5.407 12.691 4.019 1.00 33.20 N ATOM 1316 CA GLY A 98 -5.762 11.322 4.114 1.00 2.51 C ATOM 1317 C GLY A 98 -4.778 10.529 4.907 1.00 32.01 C ATOM 1318 O GLY A 98 -3.889 11.092 5.566 1.00 62.13 O ATOM 0 H GLY A 98 -4.447 12.912 4.282 1.00 33.20 H new ATOM 0 HA2 GLY A 98 -6.747 11.237 4.574 1.00 2.51 H new ATOM 0 HA3 GLY A 98 -5.840 10.900 3.112 1.00 2.51 H new ATOM 1322 N TYR A 99 -4.903 9.235 4.823 1.00 31.13 N ATOM 1323 CA TYR A 99 -4.112 8.334 5.602 1.00 35.33 C ATOM 1324 C TYR A 99 -3.488 7.292 4.677 1.00 20.20 C ATOM 1325 O TYR A 99 -3.991 7.049 3.566 1.00 45.23 O ATOM 1326 CB TYR A 99 -5.007 7.602 6.623 1.00 23.11 C ATOM 1327 CG TYR A 99 -6.050 8.465 7.317 1.00 64.34 C ATOM 1328 CD1 TYR A 99 -7.384 8.380 6.940 1.00 43.25 C ATOM 1329 CD2 TYR A 99 -5.713 9.360 8.328 1.00 3.43 C ATOM 1330 CE1 TYR A 99 -8.349 9.149 7.532 1.00 0.45 C ATOM 1331 CE2 TYR A 99 -6.687 10.140 8.935 1.00 20.42 C ATOM 1332 CZ TYR A 99 -8.006 10.028 8.527 1.00 11.31 C ATOM 1333 OH TYR A 99 -8.988 10.803 9.119 1.00 3.21 O ATOM 0 H TYR A 99 -5.567 8.773 4.202 1.00 31.13 H new ATOM 0 HA TYR A 99 -3.338 8.897 6.124 1.00 35.33 H new ATOM 0 HB2 TYR A 99 -5.518 6.785 6.113 1.00 23.11 H new ATOM 0 HB3 TYR A 99 -4.368 7.153 7.383 1.00 23.11 H new ATOM 0 HD1 TYR A 99 -7.667 7.689 6.160 1.00 43.25 H new ATOM 0 HD2 TYR A 99 -4.684 9.448 8.643 1.00 3.43 H new ATOM 0 HE1 TYR A 99 -9.378 9.064 7.216 1.00 0.45 H new ATOM 0 HE2 TYR A 99 -6.418 10.830 9.721 1.00 20.42 H new ATOM 0 HH TYR A 99 -9.837 10.670 8.649 1.00 3.21 H new ATOM 1343 N LYS A 100 -2.416 6.702 5.124 1.00 63.53 N ATOM 1344 CA LYS A 100 -1.749 5.615 4.438 1.00 15.04 C ATOM 1345 C LYS A 100 -1.150 4.706 5.481 1.00 2.23 C ATOM 1346 O LYS A 100 -0.103 5.012 6.064 1.00 74.54 O ATOM 1347 CB LYS A 100 -0.659 6.107 3.457 1.00 2.54 C ATOM 1348 CG LYS A 100 0.161 4.972 2.825 1.00 42.12 C ATOM 1349 CD LYS A 100 1.239 5.496 1.884 1.00 62.02 C ATOM 1350 CE LYS A 100 2.112 4.359 1.341 1.00 31.32 C ATOM 1351 NZ LYS A 100 2.935 3.723 2.403 1.00 13.53 N ATOM 0 H LYS A 100 -1.964 6.966 5.999 1.00 63.53 H new ATOM 0 HA LYS A 100 -2.482 5.083 3.831 1.00 15.04 H new ATOM 0 HB2 LYS A 100 -1.131 6.687 2.664 1.00 2.54 H new ATOM 0 HB3 LYS A 100 0.016 6.780 3.986 1.00 2.54 H new ATOM 0 HG2 LYS A 100 0.626 4.379 3.613 1.00 42.12 H new ATOM 0 HG3 LYS A 100 -0.505 4.306 2.277 1.00 42.12 H new ATOM 0 HD2 LYS A 100 0.772 6.026 1.054 1.00 62.02 H new ATOM 0 HD3 LYS A 100 1.865 6.217 2.411 1.00 62.02 H new ATOM 0 HE2 LYS A 100 1.476 3.605 0.877 1.00 31.32 H new ATOM 0 HE3 LYS A 100 2.767 4.747 0.561 1.00 31.32 H new ATOM 0 HZ1 LYS A 100 3.521 2.972 1.985 1.00 13.53 H new ATOM 0 HZ2 LYS A 100 3.550 4.438 2.841 1.00 13.53 H new ATOM 0 HZ3 LYS A 100 2.311 3.313 3.127 1.00 13.53 H new ATOM 1365 N LEU A 101 -1.823 3.632 5.749 1.00 43.12 N ATOM 1366 CA LEU A 101 -1.383 2.702 6.776 1.00 44.15 C ATOM 1367 C LEU A 101 -0.921 1.438 6.116 1.00 5.11 C ATOM 1368 O LEU A 101 -1.311 1.166 4.980 1.00 12.44 O ATOM 1369 CB LEU A 101 -2.492 2.379 7.808 1.00 54.00 C ATOM 1370 CG LEU A 101 -3.044 3.529 8.684 1.00 11.11 C ATOM 1371 CD1 LEU A 101 -1.932 4.312 9.366 1.00 4.35 C ATOM 1372 CD2 LEU A 101 -3.980 4.445 7.909 1.00 44.11 C ATOM 0 H LEU A 101 -2.686 3.364 5.276 1.00 43.12 H new ATOM 0 HA LEU A 101 -0.569 3.174 7.326 1.00 44.15 H new ATOM 0 HB2 LEU A 101 -3.331 1.943 7.267 1.00 54.00 H new ATOM 0 HB3 LEU A 101 -2.108 1.608 8.476 1.00 54.00 H new ATOM 0 HG LEU A 101 -3.636 3.061 9.470 1.00 11.11 H new ATOM 0 HD11 LEU A 101 -2.366 5.109 9.970 1.00 4.35 H new ATOM 0 HD12 LEU A 101 -1.356 3.644 10.006 1.00 4.35 H new ATOM 0 HD13 LEU A 101 -1.276 4.745 8.611 1.00 4.35 H new ATOM 0 HD21 LEU A 101 -4.341 5.236 8.566 1.00 44.11 H new ATOM 0 HD22 LEU A 101 -3.444 4.887 7.070 1.00 44.11 H new ATOM 0 HD23 LEU A 101 -4.826 3.869 7.536 1.00 44.11 H new ATOM 1384 N VAL A 102 -0.116 0.663 6.792 1.00 62.14 N ATOM 1385 CA VAL A 102 0.389 -0.540 6.204 1.00 41.10 C ATOM 1386 C VAL A 102 0.300 -1.719 7.162 1.00 60.52 C ATOM 1387 O VAL A 102 0.487 -1.584 8.376 1.00 0.41 O ATOM 1388 CB VAL A 102 1.843 -0.371 5.667 1.00 0.15 C ATOM 1389 CG1 VAL A 102 2.811 -0.007 6.779 1.00 63.33 C ATOM 1390 CG2 VAL A 102 2.304 -1.624 4.939 1.00 3.13 C ATOM 0 H VAL A 102 0.201 0.845 7.744 1.00 62.14 H new ATOM 0 HA VAL A 102 -0.252 -0.754 5.349 1.00 41.10 H new ATOM 0 HB VAL A 102 1.833 0.454 4.955 1.00 0.15 H new ATOM 0 HG11 VAL A 102 3.814 0.102 6.367 1.00 63.33 H new ATOM 0 HG12 VAL A 102 2.502 0.933 7.237 1.00 63.33 H new ATOM 0 HG13 VAL A 102 2.812 -0.795 7.533 1.00 63.33 H new ATOM 0 HG21 VAL A 102 3.321 -1.480 4.575 1.00 3.13 H new ATOM 0 HG22 VAL A 102 2.281 -2.472 5.624 1.00 3.13 H new ATOM 0 HG23 VAL A 102 1.641 -1.820 4.096 1.00 3.13 H new ATOM 1400 N TRP A 103 -0.047 -2.837 6.612 1.00 53.21 N ATOM 1401 CA TRP A 103 -0.103 -4.076 7.308 1.00 30.23 C ATOM 1402 C TRP A 103 0.917 -5.002 6.701 1.00 31.41 C ATOM 1403 O TRP A 103 0.968 -5.167 5.482 1.00 52.23 O ATOM 1404 CB TRP A 103 -1.511 -4.676 7.237 1.00 53.44 C ATOM 1405 CG TRP A 103 -2.516 -3.885 7.999 1.00 41.44 C ATOM 1406 CD1 TRP A 103 -2.976 -4.162 9.242 1.00 41.04 C ATOM 1407 CD2 TRP A 103 -3.168 -2.680 7.584 1.00 41.11 C ATOM 1408 NE1 TRP A 103 -3.862 -3.195 9.642 1.00 3.21 N ATOM 1409 CE2 TRP A 103 -3.997 -2.275 8.636 1.00 74.22 C ATOM 1410 CE3 TRP A 103 -3.123 -1.903 6.422 1.00 74.25 C ATOM 1411 CZ2 TRP A 103 -4.768 -1.127 8.568 1.00 45.22 C ATOM 1412 CZ3 TRP A 103 -3.890 -0.770 6.356 1.00 34.31 C ATOM 1413 CH2 TRP A 103 -4.702 -0.388 7.421 1.00 41.00 C ATOM 0 H TRP A 103 -0.308 -2.912 5.629 1.00 53.21 H new ATOM 0 HA TRP A 103 0.124 -3.924 8.363 1.00 30.23 H new ATOM 0 HB2 TRP A 103 -1.821 -4.740 6.194 1.00 53.44 H new ATOM 0 HB3 TRP A 103 -1.487 -5.694 7.625 1.00 53.44 H new ATOM 0 HD1 TRP A 103 -2.687 -5.019 9.832 1.00 41.04 H new ATOM 0 HE1 TRP A 103 -4.342 -3.165 10.541 1.00 3.21 H new ATOM 0 HE3 TRP A 103 -2.495 -2.191 5.592 1.00 74.25 H new ATOM 0 HZ2 TRP A 103 -5.399 -0.827 9.392 1.00 45.22 H new ATOM 0 HZ3 TRP A 103 -3.865 -0.163 5.463 1.00 34.31 H new ATOM 0 HH2 TRP A 103 -5.293 0.512 7.338 1.00 41.00 H new ATOM 1424 N LYS A 104 1.748 -5.556 7.525 1.00 0.12 N ATOM 1425 CA LYS A 104 2.800 -6.432 7.076 1.00 63.32 C ATOM 1426 C LYS A 104 2.437 -7.857 7.417 1.00 22.22 C ATOM 1427 O LYS A 104 2.008 -8.139 8.535 1.00 31.32 O ATOM 1428 CB LYS A 104 4.130 -6.079 7.756 1.00 13.02 C ATOM 1429 CG LYS A 104 4.627 -4.654 7.529 1.00 54.41 C ATOM 1430 CD LYS A 104 5.942 -4.440 8.275 1.00 61.21 C ATOM 1431 CE LYS A 104 6.499 -3.023 8.133 1.00 74.22 C ATOM 1432 NZ LYS A 104 6.954 -2.707 6.762 1.00 50.31 N ATOM 0 H LYS A 104 1.722 -5.417 8.535 1.00 0.12 H new ATOM 0 HA LYS A 104 2.914 -6.316 5.998 1.00 63.32 H new ATOM 0 HB2 LYS A 104 4.024 -6.241 8.829 1.00 13.02 H new ATOM 0 HB3 LYS A 104 4.894 -6.772 7.403 1.00 13.02 H new ATOM 0 HG2 LYS A 104 4.769 -4.474 6.463 1.00 54.41 H new ATOM 0 HG3 LYS A 104 3.881 -3.939 7.876 1.00 54.41 H new ATOM 0 HD2 LYS A 104 5.791 -4.658 9.332 1.00 61.21 H new ATOM 0 HD3 LYS A 104 6.681 -5.151 7.905 1.00 61.21 H new ATOM 0 HE2 LYS A 104 5.731 -2.307 8.427 1.00 74.22 H new ATOM 0 HE3 LYS A 104 7.333 -2.897 8.823 1.00 74.22 H new ATOM 0 HZ1 LYS A 104 7.674 -1.958 6.799 1.00 50.31 H new ATOM 0 HZ2 LYS A 104 7.363 -3.559 6.327 1.00 50.31 H new ATOM 0 HZ3 LYS A 104 6.146 -2.382 6.194 1.00 50.31 H new ATOM 1446 N SER A 105 2.571 -8.726 6.461 1.00 52.35 N ATOM 1447 CA SER A 105 2.341 -10.142 6.634 1.00 1.33 C ATOM 1448 C SER A 105 3.534 -10.741 7.408 1.00 60.44 C ATOM 1449 O SER A 105 4.433 -10.001 7.855 1.00 4.44 O ATOM 1450 CB SER A 105 2.192 -10.782 5.225 1.00 63.21 C ATOM 1451 OG SER A 105 1.940 -12.185 5.248 1.00 23.35 O ATOM 0 H SER A 105 2.850 -8.471 5.513 1.00 52.35 H new ATOM 0 HA SER A 105 1.432 -10.338 7.204 1.00 1.33 H new ATOM 0 HB2 SER A 105 1.378 -10.286 4.696 1.00 63.21 H new ATOM 0 HB3 SER A 105 3.102 -10.596 4.655 1.00 63.21 H new ATOM 0 HG SER A 105 0.976 -12.345 5.178 1.00 23.35 H new ATOM 1640 N TRP A 117 8.658 -10.041 3.420 1.00 33.43 N ATOM 1641 CA TRP A 117 7.289 -10.116 3.889 1.00 3.24 C ATOM 1642 C TRP A 117 6.375 -9.526 2.827 1.00 63.52 C ATOM 1643 O TRP A 117 6.853 -9.020 1.816 1.00 42.14 O ATOM 1644 CB TRP A 117 7.131 -9.359 5.231 1.00 32.42 C ATOM 1645 CG TRP A 117 7.679 -7.959 5.204 1.00 3.02 C ATOM 1646 CD1 TRP A 117 7.211 -6.920 4.476 1.00 73.11 C ATOM 1647 CD2 TRP A 117 8.783 -7.452 5.955 1.00 11.14 C ATOM 1648 NE1 TRP A 117 7.970 -5.802 4.686 1.00 32.32 N ATOM 1649 CE2 TRP A 117 8.940 -6.098 5.599 1.00 72.44 C ATOM 1650 CE3 TRP A 117 9.659 -8.012 6.884 1.00 11.04 C ATOM 1651 CZ2 TRP A 117 9.938 -5.301 6.143 1.00 12.13 C ATOM 1652 CZ3 TRP A 117 10.643 -7.214 7.425 1.00 2.22 C ATOM 1653 CH2 TRP A 117 10.775 -5.876 7.051 1.00 63.13 C ATOM 0 HA TRP A 117 7.018 -11.157 4.064 1.00 3.24 H new ATOM 0 HB2 TRP A 117 6.074 -9.321 5.494 1.00 32.42 H new ATOM 0 HB3 TRP A 117 7.635 -9.922 6.017 1.00 32.42 H new ATOM 0 HD1 TRP A 117 6.355 -6.967 3.819 1.00 73.11 H new ATOM 0 HE1 TRP A 117 7.834 -4.897 4.235 1.00 32.32 H new ATOM 0 HE3 TRP A 117 9.568 -9.049 7.173 1.00 11.04 H new ATOM 0 HZ2 TRP A 117 10.047 -4.265 5.857 1.00 12.13 H new ATOM 0 HZ3 TRP A 117 11.324 -7.631 8.152 1.00 2.22 H new ATOM 0 HH2 TRP A 117 11.561 -5.281 7.493 1.00 63.13 H new ATOM 1664 N ASP A 118 5.096 -9.612 3.017 1.00 25.35 N ATOM 1665 CA ASP A 118 4.167 -9.006 2.076 1.00 52.31 C ATOM 1666 C ASP A 118 3.529 -7.843 2.778 1.00 33.35 C ATOM 1667 O ASP A 118 3.164 -7.961 3.945 1.00 0.24 O ATOM 1668 CB ASP A 118 3.058 -9.978 1.633 1.00 74.33 C ATOM 1669 CG ASP A 118 3.567 -11.371 1.316 1.00 64.51 C ATOM 1670 OD1 ASP A 118 3.446 -12.277 2.173 1.00 5.52 O ATOM 1671 OD2 ASP A 118 4.151 -11.580 0.227 1.00 50.45 O ATOM 0 H ASP A 118 4.659 -10.090 3.805 1.00 25.35 H new ATOM 0 HA ASP A 118 4.715 -8.711 1.181 1.00 52.31 H new ATOM 0 HB2 ASP A 118 2.308 -10.044 2.421 1.00 74.33 H new ATOM 0 HB3 ASP A 118 2.560 -9.572 0.752 1.00 74.33 H new ATOM 1676 N GLU A 119 3.416 -6.732 2.125 1.00 3.21 N ATOM 1677 CA GLU A 119 2.790 -5.578 2.757 1.00 52.13 C ATOM 1678 C GLU A 119 1.538 -5.165 2.049 1.00 35.13 C ATOM 1679 O GLU A 119 1.336 -5.477 0.869 1.00 25.33 O ATOM 1680 CB GLU A 119 3.737 -4.377 2.892 1.00 44.35 C ATOM 1681 CG GLU A 119 4.942 -4.659 3.727 1.00 43.13 C ATOM 1682 CD GLU A 119 5.798 -3.448 3.992 1.00 25.42 C ATOM 1683 OE1 GLU A 119 6.969 -3.435 3.591 1.00 34.14 O ATOM 1684 OE2 GLU A 119 5.338 -2.501 4.666 1.00 3.32 O ATOM 0 H GLU A 119 3.738 -6.583 1.169 1.00 3.21 H new ATOM 0 HA GLU A 119 2.532 -5.905 3.764 1.00 52.13 H new ATOM 0 HB2 GLU A 119 4.058 -4.065 1.898 1.00 44.35 H new ATOM 0 HB3 GLU A 119 3.190 -3.541 3.328 1.00 44.35 H new ATOM 0 HG2 GLU A 119 4.621 -5.081 4.680 1.00 43.13 H new ATOM 0 HG3 GLU A 119 5.547 -5.418 3.230 1.00 43.13 H new ATOM 1691 N ALA A 120 0.696 -4.500 2.773 1.00 13.32 N ATOM 1692 CA ALA A 120 -0.524 -3.960 2.252 1.00 71.31 C ATOM 1693 C ALA A 120 -0.686 -2.557 2.777 1.00 10.01 C ATOM 1694 O ALA A 120 -0.784 -2.350 3.978 1.00 60.25 O ATOM 1695 CB ALA A 120 -1.690 -4.825 2.660 1.00 35.03 C ATOM 0 H ALA A 120 0.838 -4.312 3.765 1.00 13.32 H new ATOM 0 HA ALA A 120 -0.492 -3.938 1.163 1.00 71.31 H new ATOM 0 HB1 ALA A 120 -2.612 -4.405 2.259 1.00 35.03 H new ATOM 0 HB2 ALA A 120 -1.550 -5.833 2.269 1.00 35.03 H new ATOM 0 HB3 ALA A 120 -1.752 -4.863 3.748 1.00 35.03 H new ATOM 1701 N GLU A 121 -0.700 -1.614 1.892 1.00 45.01 N ATOM 1702 CA GLU A 121 -0.747 -0.222 2.242 1.00 75.52 C ATOM 1703 C GLU A 121 -2.076 0.347 1.803 1.00 53.23 C ATOM 1704 O GLU A 121 -2.347 0.432 0.615 1.00 22.53 O ATOM 1705 CB GLU A 121 0.390 0.530 1.538 1.00 44.32 C ATOM 1706 CG GLU A 121 1.752 -0.127 1.696 1.00 14.30 C ATOM 1707 CD GLU A 121 2.860 0.660 1.069 1.00 31.10 C ATOM 1708 OE1 GLU A 121 3.684 1.241 1.822 1.00 53.53 O ATOM 1709 OE2 GLU A 121 2.927 0.747 -0.155 1.00 51.52 O ATOM 0 H GLU A 121 -0.679 -1.787 0.887 1.00 45.01 H new ATOM 0 HA GLU A 121 -0.632 -0.111 3.320 1.00 75.52 H new ATOM 0 HB2 GLU A 121 0.157 0.610 0.476 1.00 44.32 H new ATOM 0 HB3 GLU A 121 0.439 1.545 1.931 1.00 44.32 H new ATOM 0 HG2 GLU A 121 1.964 -0.260 2.757 1.00 14.30 H new ATOM 0 HG3 GLU A 121 1.723 -1.121 1.250 1.00 14.30 H new ATOM 1716 N ALA A 122 -2.900 0.709 2.734 1.00 52.35 N ATOM 1717 CA ALA A 122 -4.186 1.249 2.396 1.00 32.03 C ATOM 1718 C ALA A 122 -4.162 2.753 2.447 1.00 41.43 C ATOM 1719 O ALA A 122 -3.649 3.359 3.417 1.00 54.31 O ATOM 1720 CB ALA A 122 -5.295 0.677 3.258 1.00 53.43 C ATOM 0 H ALA A 122 -2.710 0.642 3.734 1.00 52.35 H new ATOM 0 HA ALA A 122 -4.407 0.948 1.372 1.00 32.03 H new ATOM 0 HB1 ALA A 122 -6.248 1.117 2.964 1.00 53.43 H new ATOM 0 HB2 ALA A 122 -5.338 -0.404 3.126 1.00 53.43 H new ATOM 0 HB3 ALA A 122 -5.097 0.907 4.305 1.00 53.43 H new ATOM 1726 N TYR A 123 -4.682 3.339 1.400 1.00 62.13 N ATOM 1727 CA TYR A 123 -4.733 4.758 1.215 1.00 14.15 C ATOM 1728 C TYR A 123 -6.163 5.201 1.368 1.00 45.12 C ATOM 1729 O TYR A 123 -7.045 4.748 0.622 1.00 74.41 O ATOM 1730 CB TYR A 123 -4.317 5.124 -0.207 1.00 24.50 C ATOM 1731 CG TYR A 123 -2.992 4.591 -0.672 1.00 74.24 C ATOM 1732 CD1 TYR A 123 -1.867 5.384 -0.613 1.00 42.34 C ATOM 1733 CD2 TYR A 123 -2.871 3.303 -1.221 1.00 1.42 C ATOM 1734 CE1 TYR A 123 -0.660 4.941 -1.081 1.00 41.44 C ATOM 1735 CE2 TYR A 123 -1.659 2.858 -1.674 1.00 20.42 C ATOM 1736 CZ TYR A 123 -0.556 3.684 -1.605 1.00 32.10 C ATOM 1737 OH TYR A 123 0.651 3.258 -2.097 1.00 60.15 O ATOM 0 H TYR A 123 -5.096 2.818 0.627 1.00 62.13 H new ATOM 0 HA TYR A 123 -4.069 5.230 1.939 1.00 14.15 H new ATOM 0 HB2 TYR A 123 -5.088 4.768 -0.891 1.00 24.50 H new ATOM 0 HB3 TYR A 123 -4.296 6.211 -0.288 1.00 24.50 H new ATOM 0 HD1 TYR A 123 -1.939 6.375 -0.189 1.00 42.34 H new ATOM 0 HD2 TYR A 123 -3.738 2.662 -1.286 1.00 1.42 H new ATOM 0 HE1 TYR A 123 0.207 5.583 -1.036 1.00 41.44 H new ATOM 0 HE2 TYR A 123 -1.566 1.863 -2.084 1.00 20.42 H new ATOM 0 HH TYR A 123 1.377 3.698 -1.608 1.00 60.15 H new ATOM 1747 N ILE A 124 -6.401 6.069 2.276 1.00 72.43 N ATOM 1748 CA ILE A 124 -7.723 6.590 2.505 1.00 31.31 C ATOM 1749 C ILE A 124 -7.645 8.081 2.397 1.00 61.43 C ATOM 1750 O ILE A 124 -6.692 8.665 2.883 1.00 44.23 O ATOM 1751 CB ILE A 124 -8.236 6.200 3.921 1.00 52.52 C ATOM 1752 CG1 ILE A 124 -8.360 4.686 4.043 1.00 12.54 C ATOM 1753 CG2 ILE A 124 -9.557 6.888 4.267 1.00 71.21 C ATOM 1754 CD1 ILE A 124 -8.923 4.216 5.371 1.00 55.23 C ATOM 0 H ILE A 124 -5.687 6.452 2.896 1.00 72.43 H new ATOM 0 HA ILE A 124 -8.415 6.176 1.772 1.00 31.31 H new ATOM 0 HB ILE A 124 -7.499 6.551 4.644 1.00 52.52 H new ATOM 0 HG12 ILE A 124 -8.998 4.319 3.239 1.00 12.54 H new ATOM 0 HG13 ILE A 124 -7.376 4.239 3.899 1.00 12.54 H new ATOM 0 HG21 ILE A 124 -9.875 6.585 5.265 1.00 71.21 H new ATOM 0 HG22 ILE A 124 -9.421 7.969 4.242 1.00 71.21 H new ATOM 0 HG23 ILE A 124 -10.318 6.601 3.541 1.00 71.21 H new ATOM 0 HD11 ILE A 124 -8.979 3.127 5.378 1.00 55.23 H new ATOM 0 HD12 ILE A 124 -8.274 4.551 6.180 1.00 55.23 H new ATOM 0 HD13 ILE A 124 -9.921 4.632 5.511 1.00 55.23 H new ATOM 1766 N TRP A 125 -8.588 8.695 1.748 1.00 21.11 N ATOM 1767 CA TRP A 125 -8.581 10.126 1.696 1.00 61.12 C ATOM 1768 C TRP A 125 -9.797 10.580 2.445 1.00 51.03 C ATOM 1769 O TRP A 125 -10.799 9.827 2.517 1.00 30.32 O ATOM 1770 CB TRP A 125 -8.558 10.674 0.235 1.00 43.34 C ATOM 1771 CG TRP A 125 -9.905 10.962 -0.401 1.00 52.00 C ATOM 1772 CD1 TRP A 125 -10.502 12.187 -0.491 1.00 35.53 C ATOM 1773 CD2 TRP A 125 -10.807 10.038 -1.029 1.00 74.35 C ATOM 1774 NE1 TRP A 125 -11.705 12.083 -1.127 1.00 11.20 N ATOM 1775 CE2 TRP A 125 -11.919 10.780 -1.472 1.00 21.11 C ATOM 1776 CE3 TRP A 125 -10.787 8.670 -1.260 1.00 72.51 C ATOM 1777 CZ2 TRP A 125 -12.992 10.194 -2.137 1.00 24.43 C ATOM 1778 CZ3 TRP A 125 -11.849 8.090 -1.918 1.00 32.23 C ATOM 1779 CH2 TRP A 125 -12.939 8.850 -2.348 1.00 2.42 C ATOM 0 H TRP A 125 -9.357 8.240 1.257 1.00 21.11 H new ATOM 0 HA TRP A 125 -7.671 10.518 2.150 1.00 61.12 H new ATOM 0 HB2 TRP A 125 -7.972 11.593 0.225 1.00 43.34 H new ATOM 0 HB3 TRP A 125 -8.032 9.954 -0.391 1.00 43.34 H new ATOM 0 HD1 TRP A 125 -10.082 13.107 -0.113 1.00 35.53 H new ATOM 0 HE1 TRP A 125 -12.343 12.856 -1.315 1.00 11.20 H new ATOM 0 HE3 TRP A 125 -9.952 8.070 -0.929 1.00 72.51 H new ATOM 0 HZ2 TRP A 125 -13.833 10.782 -2.472 1.00 24.43 H new ATOM 0 HZ3 TRP A 125 -11.839 7.026 -2.105 1.00 32.23 H new ATOM 0 HH2 TRP A 125 -13.756 8.362 -2.858 1.00 2.42 H new ATOM 1790 N ARG A 126 -9.743 11.726 3.043 1.00 44.12 N ATOM 1791 CA ARG A 126 -10.889 12.182 3.711 1.00 3.31 C ATOM 1792 C ARG A 126 -11.462 13.365 3.010 1.00 73.34 C ATOM 1793 O ARG A 126 -10.758 14.275 2.571 1.00 25.22 O ATOM 1794 CB ARG A 126 -10.710 12.368 5.211 1.00 73.12 C ATOM 1795 CG ARG A 126 -9.830 13.488 5.650 1.00 61.14 C ATOM 1796 CD ARG A 126 -9.633 13.411 7.156 1.00 50.03 C ATOM 1797 NE ARG A 126 -8.847 14.517 7.710 1.00 72.12 N ATOM 1798 CZ ARG A 126 -8.347 14.539 8.960 1.00 2.31 C ATOM 1799 NH1 ARG A 126 -8.361 13.429 9.714 1.00 21.11 N ATOM 1800 NH2 ARG A 126 -7.803 15.653 9.440 1.00 14.34 N ATOM 0 H ARG A 126 -8.931 12.342 3.076 1.00 44.12 H new ATOM 0 HA ARG A 126 -11.631 11.385 3.659 1.00 3.31 H new ATOM 0 HB2 ARG A 126 -11.695 12.516 5.655 1.00 73.12 H new ATOM 0 HB3 ARG A 126 -10.311 11.441 5.623 1.00 73.12 H new ATOM 0 HG2 ARG A 126 -8.867 13.430 5.142 1.00 61.14 H new ATOM 0 HG3 ARG A 126 -10.276 14.445 5.378 1.00 61.14 H new ATOM 0 HD2 ARG A 126 -10.610 13.394 7.640 1.00 50.03 H new ATOM 0 HD3 ARG A 126 -9.140 12.470 7.400 1.00 50.03 H new ATOM 0 HE ARG A 126 -8.667 15.322 7.110 1.00 72.12 H new ATOM 0 HH11 ARG A 126 -8.752 12.564 9.341 1.00 21.11 H new ATOM 0 HH12 ARG A 126 -7.981 13.450 10.660 1.00 21.11 H new ATOM 0 HH21 ARG A 126 -7.764 16.492 8.861 1.00 14.34 H new ATOM 0 HH22 ARG A 126 -7.425 15.669 10.387 1.00 14.34 H new ATOM 1814 N ARG A 127 -12.715 13.315 2.909 1.00 74.22 N ATOM 1815 CA ARG A 127 -13.499 14.207 2.136 1.00 55.44 C ATOM 1816 C ARG A 127 -13.881 15.413 2.988 1.00 23.53 C ATOM 1817 O ARG A 127 -13.927 15.307 4.210 1.00 73.41 O ATOM 1818 CB ARG A 127 -14.719 13.390 1.683 1.00 13.22 C ATOM 1819 CG ARG A 127 -15.717 14.083 0.809 1.00 21.55 C ATOM 1820 CD ARG A 127 -16.799 13.114 0.395 1.00 43.00 C ATOM 1821 NE ARG A 127 -17.846 13.748 -0.399 1.00 30.43 N ATOM 1822 CZ ARG A 127 -18.663 13.090 -1.239 1.00 71.25 C ATOM 1823 NH1 ARG A 127 -18.519 11.776 -1.433 1.00 23.11 N ATOM 1824 NH2 ARG A 127 -19.618 13.739 -1.879 1.00 34.23 N ATOM 0 H ARG A 127 -13.273 12.609 3.389 1.00 74.22 H new ATOM 0 HA ARG A 127 -12.972 14.604 1.268 1.00 55.44 H new ATOM 0 HB2 ARG A 127 -14.358 12.509 1.152 1.00 13.22 H new ATOM 0 HB3 ARG A 127 -15.238 13.035 2.573 1.00 13.22 H new ATOM 0 HG2 ARG A 127 -16.156 14.926 1.342 1.00 21.55 H new ATOM 0 HG3 ARG A 127 -15.222 14.487 -0.074 1.00 21.55 H new ATOM 0 HD2 ARG A 127 -16.354 12.302 -0.180 1.00 43.00 H new ATOM 0 HD3 ARG A 127 -17.243 12.669 1.285 1.00 43.00 H new ATOM 0 HE ARG A 127 -17.966 14.757 -0.311 1.00 30.43 H new ATOM 0 HH11 ARG A 127 -17.785 11.265 -0.942 1.00 23.11 H new ATOM 0 HH12 ARG A 127 -19.143 11.283 -2.072 1.00 23.11 H new ATOM 0 HH21 ARG A 127 -19.737 14.742 -1.736 1.00 34.23 H new ATOM 0 HH22 ARG A 127 -20.237 13.237 -2.516 1.00 34.23 H new ATOM 1838 N LYS A 128 -14.149 16.548 2.349 1.00 52.33 N ATOM 1839 CA LYS A 128 -14.522 17.795 3.033 1.00 13.23 C ATOM 1840 C LYS A 128 -15.806 17.605 3.860 1.00 33.31 C ATOM 1841 O LYS A 128 -16.025 18.275 4.876 1.00 22.43 O ATOM 1842 CB LYS A 128 -14.679 18.929 2.008 1.00 3.24 C ATOM 1843 CG LYS A 128 -14.965 20.294 2.612 1.00 23.24 C ATOM 1844 CD LYS A 128 -15.056 21.366 1.540 1.00 20.13 C ATOM 1845 CE LYS A 128 -15.265 22.743 2.149 1.00 14.10 C ATOM 1846 NZ LYS A 128 -14.104 23.181 2.964 1.00 20.32 N ATOM 0 H LYS A 128 -14.115 16.635 1.333 1.00 52.33 H new ATOM 0 HA LYS A 128 -13.726 18.067 3.726 1.00 13.23 H new ATOM 0 HB2 LYS A 128 -13.767 18.993 1.414 1.00 3.24 H new ATOM 0 HB3 LYS A 128 -15.488 18.673 1.323 1.00 3.24 H new ATOM 0 HG2 LYS A 128 -15.899 20.257 3.172 1.00 23.24 H new ATOM 0 HG3 LYS A 128 -14.178 20.552 3.321 1.00 23.24 H new ATOM 0 HD2 LYS A 128 -14.144 21.365 0.944 1.00 20.13 H new ATOM 0 HD3 LYS A 128 -15.879 21.137 0.863 1.00 20.13 H new ATOM 0 HE2 LYS A 128 -15.441 23.467 1.353 1.00 14.10 H new ATOM 0 HE3 LYS A 128 -16.159 22.730 2.772 1.00 14.10 H new ATOM 0 HZ1 LYS A 128 -14.182 24.199 3.160 1.00 20.32 H new ATOM 0 HZ2 LYS A 128 -14.092 22.655 3.861 1.00 20.32 H new ATOM 0 HZ3 LYS A 128 -13.224 22.995 2.442 1.00 20.32 H new ATOM 1860 N ASP A 129 -16.621 16.663 3.431 1.00 44.25 N ATOM 1861 CA ASP A 129 -17.846 16.259 4.141 1.00 71.40 C ATOM 1862 C ASP A 129 -17.501 15.580 5.488 1.00 34.31 C ATOM 1863 O ASP A 129 -18.330 15.458 6.374 1.00 72.25 O ATOM 1864 CB ASP A 129 -18.655 15.309 3.237 1.00 4.13 C ATOM 1865 CG ASP A 129 -19.914 14.753 3.864 1.00 61.02 C ATOM 1866 OD1 ASP A 129 -20.848 15.532 4.163 1.00 11.43 O ATOM 1867 OD2 ASP A 129 -20.016 13.520 3.998 1.00 33.43 O ATOM 0 H ASP A 129 -16.461 16.142 2.569 1.00 44.25 H new ATOM 0 HA ASP A 129 -18.445 17.142 4.365 1.00 71.40 H new ATOM 0 HB2 ASP A 129 -18.925 15.841 2.325 1.00 4.13 H new ATOM 0 HB3 ASP A 129 -18.015 14.477 2.943 1.00 4.13 H new ATOM 1872 N GLY A 130 -16.252 15.172 5.638 1.00 10.33 N ATOM 1873 CA GLY A 130 -15.788 14.571 6.873 1.00 74.41 C ATOM 1874 C GLY A 130 -15.605 13.084 6.745 1.00 21.23 C ATOM 1875 O GLY A 130 -14.824 12.483 7.466 1.00 3.32 O ATOM 0 H GLY A 130 -15.538 15.248 4.913 1.00 10.33 H new ATOM 0 HA2 GLY A 130 -14.843 15.028 7.165 1.00 74.41 H new ATOM 0 HA3 GLY A 130 -16.503 14.781 7.669 1.00 74.41 H new ATOM 1879 N SER A 131 -16.304 12.512 5.803 1.00 22.04 N ATOM 1880 CA SER A 131 -16.292 11.113 5.558 1.00 12.13 C ATOM 1881 C SER A 131 -14.968 10.720 4.910 1.00 12.11 C ATOM 1882 O SER A 131 -14.407 11.458 4.100 1.00 74.15 O ATOM 1883 CB SER A 131 -17.485 10.771 4.652 1.00 25.23 C ATOM 1884 OG SER A 131 -17.638 9.373 4.424 1.00 24.15 O ATOM 0 H SER A 131 -16.913 13.031 5.171 1.00 22.04 H new ATOM 0 HA SER A 131 -16.384 10.554 6.490 1.00 12.13 H new ATOM 0 HB2 SER A 131 -18.398 11.160 5.103 1.00 25.23 H new ATOM 0 HB3 SER A 131 -17.362 11.277 3.694 1.00 25.23 H new ATOM 0 HG SER A 131 -17.728 8.909 5.283 1.00 24.15 H new ATOM 1890 N CYS A 132 -14.470 9.616 5.315 1.00 2.30 N ATOM 1891 CA CYS A 132 -13.248 9.066 4.781 1.00 24.41 C ATOM 1892 C CYS A 132 -13.607 7.922 3.865 1.00 74.15 C ATOM 1893 O CYS A 132 -14.558 7.179 4.142 1.00 23.14 O ATOM 1894 CB CYS A 132 -12.344 8.581 5.912 1.00 32.31 C ATOM 1895 SG CYS A 132 -11.855 9.876 7.074 1.00 63.00 S ATOM 0 H CYS A 132 -14.896 9.043 6.043 1.00 2.30 H new ATOM 0 HA CYS A 132 -12.705 9.831 4.226 1.00 24.41 H new ATOM 0 HB2 CYS A 132 -12.858 7.791 6.460 1.00 32.31 H new ATOM 0 HB3 CYS A 132 -11.447 8.137 5.480 1.00 32.31 H new ATOM 0 HG CYS A 132 -12.790 10.777 7.138 1.00 63.00 H new ATOM 1901 N TRP A 133 -12.908 7.777 2.778 1.00 23.23 N ATOM 1902 CA TRP A 133 -13.222 6.756 1.861 1.00 43.24 C ATOM 1903 C TRP A 133 -11.919 6.176 1.343 1.00 25.41 C ATOM 1904 O TRP A 133 -10.873 6.850 1.375 1.00 2.54 O ATOM 1905 CB TRP A 133 -14.056 7.365 0.743 1.00 31.24 C ATOM 1906 CG TRP A 133 -14.848 6.391 -0.058 1.00 62.31 C ATOM 1907 CD1 TRP A 133 -14.437 5.708 -1.144 1.00 40.24 C ATOM 1908 CD2 TRP A 133 -16.203 6.020 0.166 1.00 24.43 C ATOM 1909 NE1 TRP A 133 -15.456 4.939 -1.629 1.00 11.21 N ATOM 1910 CE2 TRP A 133 -16.556 5.111 -0.837 1.00 41.25 C ATOM 1911 CE3 TRP A 133 -17.149 6.374 1.121 1.00 42.15 C ATOM 1912 CZ2 TRP A 133 -17.826 4.547 -0.917 1.00 24.44 C ATOM 1913 CZ3 TRP A 133 -18.408 5.814 1.046 1.00 31.21 C ATOM 1914 CH2 TRP A 133 -18.736 4.909 0.032 1.00 15.33 C ATOM 0 H TRP A 133 -12.115 8.363 2.516 1.00 23.23 H new ATOM 0 HA TRP A 133 -13.799 5.953 2.320 1.00 43.24 H new ATOM 0 HB2 TRP A 133 -14.739 8.095 1.177 1.00 31.24 H new ATOM 0 HB3 TRP A 133 -13.392 7.909 0.071 1.00 31.24 H new ATOM 0 HD1 TRP A 133 -13.446 5.761 -1.569 1.00 40.24 H new ATOM 0 HE1 TRP A 133 -15.404 4.335 -2.449 1.00 11.21 H new ATOM 0 HE3 TRP A 133 -16.903 7.074 1.906 1.00 42.15 H new ATOM 0 HZ2 TRP A 133 -18.081 3.849 -1.701 1.00 24.44 H new ATOM 0 HZ3 TRP A 133 -19.152 6.079 1.783 1.00 31.21 H new ATOM 0 HH2 TRP A 133 -19.730 4.488 -0.000 1.00 15.33 H new ATOM 1925 N LEU A 134 -11.969 4.939 0.912 1.00 15.33 N ATOM 1926 CA LEU A 134 -10.792 4.253 0.411 1.00 60.25 C ATOM 1927 C LEU A 134 -10.358 4.892 -0.888 1.00 42.14 C ATOM 1928 O LEU A 134 -11.099 4.879 -1.875 1.00 14.14 O ATOM 1929 CB LEU A 134 -11.052 2.748 0.193 1.00 44.32 C ATOM 1930 CG LEU A 134 -11.481 1.921 1.418 1.00 51.41 C ATOM 1931 CD1 LEU A 134 -11.636 0.461 1.047 1.00 50.44 C ATOM 1932 CD2 LEU A 134 -10.492 2.068 2.560 1.00 2.52 C ATOM 0 H LEU A 134 -12.820 4.377 0.896 1.00 15.33 H new ATOM 0 HA LEU A 134 -10.003 4.344 1.158 1.00 60.25 H new ATOM 0 HB2 LEU A 134 -11.824 2.646 -0.570 1.00 44.32 H new ATOM 0 HB3 LEU A 134 -10.143 2.304 -0.212 1.00 44.32 H new ATOM 0 HG LEU A 134 -12.444 2.305 1.754 1.00 51.41 H new ATOM 0 HD11 LEU A 134 -11.940 -0.108 1.926 1.00 50.44 H new ATOM 0 HD12 LEU A 134 -12.395 0.361 0.271 1.00 50.44 H new ATOM 0 HD13 LEU A 134 -10.685 0.077 0.677 1.00 50.44 H new ATOM 0 HD21 LEU A 134 -10.825 1.471 3.409 1.00 2.52 H new ATOM 0 HD22 LEU A 134 -9.510 1.723 2.237 1.00 2.52 H new ATOM 0 HD23 LEU A 134 -10.430 3.115 2.855 1.00 2.52 H new ATOM 1944 N HIS A 135 -9.187 5.464 -0.876 1.00 20.22 N ATOM 1945 CA HIS A 135 -8.668 6.134 -2.027 1.00 74.41 C ATOM 1946 C HIS A 135 -8.103 5.075 -2.932 1.00 13.01 C ATOM 1947 O HIS A 135 -8.386 5.043 -4.124 1.00 50.15 O ATOM 1948 CB HIS A 135 -7.584 7.165 -1.618 1.00 53.12 C ATOM 1949 CG HIS A 135 -7.217 8.154 -2.698 1.00 25.00 C ATOM 1950 ND1 HIS A 135 -5.994 8.802 -2.790 1.00 31.14 N ATOM 1951 CD2 HIS A 135 -7.966 8.642 -3.721 1.00 74.30 C ATOM 1952 CE1 HIS A 135 -6.047 9.633 -3.833 1.00 43.12 C ATOM 1953 NE2 HIS A 135 -7.221 9.573 -4.432 1.00 71.10 N ATOM 0 H HIS A 135 -8.568 5.477 -0.066 1.00 20.22 H new ATOM 0 HA HIS A 135 -9.450 6.693 -2.540 1.00 74.41 H new ATOM 0 HB2 HIS A 135 -7.935 7.715 -0.745 1.00 53.12 H new ATOM 0 HB3 HIS A 135 -6.685 6.627 -1.316 1.00 53.12 H new ATOM 0 HD2 HIS A 135 -8.982 8.351 -3.946 1.00 74.30 H new ATOM 0 HE1 HIS A 135 -5.234 10.272 -4.146 1.00 43.12 H new ATOM 0 HE2 HIS A 135 -7.520 10.103 -5.251 1.00 71.10 H new ATOM 1961 N SER A 136 -7.346 4.181 -2.336 1.00 13.01 N ATOM 1962 CA SER A 136 -6.732 3.070 -3.021 1.00 41.34 C ATOM 1963 C SER A 136 -6.050 2.190 -2.003 1.00 20.14 C ATOM 1964 O SER A 136 -6.025 2.522 -0.828 1.00 51.10 O ATOM 1965 CB SER A 136 -5.741 3.573 -4.086 1.00 42.01 C ATOM 1966 OG SER A 136 -4.947 4.625 -3.582 1.00 71.10 O ATOM 0 H SER A 136 -7.137 4.209 -1.338 1.00 13.01 H new ATOM 0 HA SER A 136 -7.493 2.487 -3.541 1.00 41.34 H new ATOM 0 HB2 SER A 136 -5.101 2.752 -4.409 1.00 42.01 H new ATOM 0 HB3 SER A 136 -6.288 3.915 -4.965 1.00 42.01 H new ATOM 0 HG SER A 136 -4.350 4.280 -2.886 1.00 71.10 H new ATOM 1972 N VAL A 137 -5.561 1.066 -2.418 1.00 71.44 N ATOM 1973 CA VAL A 137 -4.812 0.182 -1.557 1.00 55.32 C ATOM 1974 C VAL A 137 -3.726 -0.440 -2.414 1.00 74.21 C ATOM 1975 O VAL A 137 -3.960 -0.736 -3.582 1.00 12.33 O ATOM 1976 CB VAL A 137 -5.686 -0.966 -0.981 1.00 51.53 C ATOM 1977 CG1 VAL A 137 -4.906 -1.831 0.002 1.00 0.54 C ATOM 1978 CG2 VAL A 137 -6.991 -0.486 -0.351 1.00 14.45 C ATOM 0 H VAL A 137 -5.667 0.724 -3.373 1.00 71.44 H new ATOM 0 HA VAL A 137 -4.423 0.754 -0.715 1.00 55.32 H new ATOM 0 HB VAL A 137 -5.961 -1.575 -1.842 1.00 51.53 H new ATOM 0 HG11 VAL A 137 -5.552 -2.622 0.382 1.00 0.54 H new ATOM 0 HG12 VAL A 137 -4.049 -2.274 -0.504 1.00 0.54 H new ATOM 0 HG13 VAL A 137 -4.559 -1.216 0.832 1.00 0.54 H new ATOM 0 HG21 VAL A 137 -7.548 -1.342 0.029 1.00 14.45 H new ATOM 0 HG22 VAL A 137 -6.769 0.196 0.470 1.00 14.45 H new ATOM 0 HG23 VAL A 137 -7.589 0.031 -1.102 1.00 14.45 H new ATOM 1988 N LYS A 138 -2.573 -0.600 -1.870 1.00 30.22 N ATOM 1989 CA LYS A 138 -1.463 -1.179 -2.566 1.00 60.53 C ATOM 1990 C LYS A 138 -1.020 -2.438 -1.852 1.00 61.11 C ATOM 1991 O LYS A 138 -0.895 -2.451 -0.645 1.00 22.41 O ATOM 1992 CB LYS A 138 -0.325 -0.156 -2.654 1.00 50.21 C ATOM 1993 CG LYS A 138 0.950 -0.625 -3.317 1.00 2.44 C ATOM 1994 CD LYS A 138 1.937 0.524 -3.399 1.00 11.31 C ATOM 1995 CE LYS A 138 3.248 0.115 -4.025 1.00 40.20 C ATOM 1996 NZ LYS A 138 4.176 1.256 -4.135 1.00 70.33 N ATOM 0 H LYS A 138 -2.363 -0.329 -0.909 1.00 30.22 H new ATOM 0 HA LYS A 138 -1.756 -1.449 -3.580 1.00 60.53 H new ATOM 0 HB2 LYS A 138 -0.691 0.716 -3.195 1.00 50.21 H new ATOM 0 HB3 LYS A 138 -0.083 0.174 -1.644 1.00 50.21 H new ATOM 0 HG2 LYS A 138 1.383 -1.450 -2.751 1.00 2.44 H new ATOM 0 HG3 LYS A 138 0.734 -1.003 -4.316 1.00 2.44 H new ATOM 0 HD2 LYS A 138 1.498 1.335 -3.980 1.00 11.31 H new ATOM 0 HD3 LYS A 138 2.122 0.913 -2.397 1.00 11.31 H new ATOM 0 HE2 LYS A 138 3.707 -0.672 -3.427 1.00 40.20 H new ATOM 0 HE3 LYS A 138 3.065 -0.302 -5.015 1.00 40.20 H new ATOM 0 HZ1 LYS A 138 5.066 0.939 -4.569 1.00 70.33 H new ATOM 0 HZ2 LYS A 138 3.747 1.997 -4.726 1.00 70.33 H new ATOM 0 HZ3 LYS A 138 4.370 1.638 -3.187 1.00 70.33 H new ATOM 2010 N PHE A 139 -0.829 -3.488 -2.589 1.00 3.11 N ATOM 2011 CA PHE A 139 -0.365 -4.730 -2.036 1.00 2.53 C ATOM 2012 C PHE A 139 0.974 -5.007 -2.615 1.00 62.32 C ATOM 2013 O PHE A 139 1.161 -4.903 -3.830 1.00 31.43 O ATOM 2014 CB PHE A 139 -1.308 -5.877 -2.362 1.00 64.41 C ATOM 2015 CG PHE A 139 -2.688 -5.666 -1.855 1.00 61.31 C ATOM 2016 CD1 PHE A 139 -3.745 -5.503 -2.720 1.00 31.42 C ATOM 2017 CD2 PHE A 139 -2.920 -5.606 -0.505 1.00 41.31 C ATOM 2018 CE1 PHE A 139 -5.018 -5.291 -2.233 1.00 41.30 C ATOM 2019 CE2 PHE A 139 -4.177 -5.396 -0.013 1.00 43.03 C ATOM 2020 CZ PHE A 139 -5.235 -5.235 -0.875 1.00 21.10 C ATOM 0 H PHE A 139 -0.990 -3.512 -3.596 1.00 3.11 H new ATOM 0 HA PHE A 139 -0.319 -4.646 -0.950 1.00 2.53 H new ATOM 0 HB2 PHE A 139 -1.343 -6.014 -3.443 1.00 64.41 H new ATOM 0 HB3 PHE A 139 -0.909 -6.798 -1.937 1.00 64.41 H new ATOM 0 HD1 PHE A 139 -3.577 -5.541 -3.786 1.00 31.42 H new ATOM 0 HD2 PHE A 139 -2.095 -5.727 0.181 1.00 41.31 H new ATOM 0 HE1 PHE A 139 -5.845 -5.169 -2.917 1.00 41.30 H new ATOM 0 HE2 PHE A 139 -4.339 -5.356 1.054 1.00 43.03 H new ATOM 0 HZ PHE A 139 -6.230 -5.066 -0.490 1.00 21.10 H new ATOM 2030 N ILE A 140 1.904 -5.337 -1.795 1.00 14.45 N ATOM 2031 CA ILE A 140 3.237 -5.577 -2.256 1.00 43.04 C ATOM 2032 C ILE A 140 3.775 -6.860 -1.689 1.00 13.13 C ATOM 2033 O ILE A 140 4.203 -6.929 -0.537 1.00 62.51 O ATOM 2034 CB ILE A 140 4.192 -4.364 -2.009 1.00 3.45 C ATOM 2035 CG1 ILE A 140 4.020 -3.793 -0.588 1.00 21.24 C ATOM 2036 CG2 ILE A 140 3.994 -3.294 -3.066 1.00 4.41 C ATOM 2037 CD1 ILE A 140 4.823 -2.530 -0.295 1.00 44.40 C ATOM 0 H ILE A 140 1.772 -5.450 -0.790 1.00 14.45 H new ATOM 0 HA ILE A 140 3.190 -5.690 -3.339 1.00 43.04 H new ATOM 0 HB ILE A 140 5.217 -4.725 -2.090 1.00 3.45 H new ATOM 0 HG12 ILE A 140 2.964 -3.579 -0.425 1.00 21.24 H new ATOM 0 HG13 ILE A 140 4.304 -4.561 0.132 1.00 21.24 H new ATOM 0 HG21 ILE A 140 4.670 -2.461 -2.872 1.00 4.41 H new ATOM 0 HG22 ILE A 140 4.206 -3.711 -4.050 1.00 4.41 H new ATOM 0 HG23 ILE A 140 2.964 -2.940 -3.036 1.00 4.41 H new ATOM 0 HD11 ILE A 140 4.634 -2.208 0.729 1.00 44.40 H new ATOM 0 HD12 ILE A 140 5.886 -2.737 -0.419 1.00 44.40 H new ATOM 0 HD13 ILE A 140 4.524 -1.741 -0.985 1.00 44.40 H new ATOM 2049 N MET A 141 3.708 -7.884 -2.492 1.00 30.45 N ATOM 2050 CA MET A 141 4.152 -9.190 -2.081 1.00 2.11 C ATOM 2051 C MET A 141 5.634 -9.318 -2.304 1.00 50.21 C ATOM 2052 O MET A 141 6.136 -9.024 -3.396 1.00 24.53 O ATOM 2053 CB MET A 141 3.367 -10.328 -2.787 1.00 21.44 C ATOM 2054 CG MET A 141 3.455 -10.338 -4.311 1.00 11.43 C ATOM 2055 SD MET A 141 2.574 -11.731 -5.072 1.00 4.53 S ATOM 2056 CE MET A 141 0.894 -11.457 -4.489 1.00 12.14 C ATOM 0 H MET A 141 3.347 -7.840 -3.445 1.00 30.45 H new ATOM 0 HA MET A 141 3.947 -9.297 -1.016 1.00 2.11 H new ATOM 0 HB2 MET A 141 3.732 -11.284 -2.413 1.00 21.44 H new ATOM 0 HB3 MET A 141 2.318 -10.254 -2.501 1.00 21.44 H new ATOM 0 HG2 MET A 141 3.047 -9.404 -4.698 1.00 11.43 H new ATOM 0 HG3 MET A 141 4.503 -10.375 -4.607 1.00 11.43 H new ATOM 0 HE1 MET A 141 0.199 -12.034 -5.099 1.00 12.14 H new ATOM 0 HE2 MET A 141 0.813 -11.774 -3.449 1.00 12.14 H new ATOM 0 HE3 MET A 141 0.651 -10.397 -4.565 1.00 12.14 H new ATOM 2066 N SER A 142 6.316 -9.686 -1.254 1.00 52.21 N ATOM 2067 CA SER A 142 7.754 -9.891 -1.236 1.00 15.11 C ATOM 2068 C SER A 142 8.518 -8.574 -1.183 1.00 2.42 C ATOM 2069 O SER A 142 9.028 -8.076 -2.193 1.00 4.00 O ATOM 2070 CB SER A 142 8.268 -10.822 -2.374 1.00 31.10 C ATOM 2071 OG SER A 142 9.659 -11.102 -2.240 1.00 61.24 O ATOM 0 H SER A 142 5.877 -9.860 -0.350 1.00 52.21 H new ATOM 0 HA SER A 142 7.961 -10.425 -0.309 1.00 15.11 H new ATOM 0 HB2 SER A 142 7.706 -11.756 -2.361 1.00 31.10 H new ATOM 0 HB3 SER A 142 8.083 -10.352 -3.340 1.00 31.10 H new ATOM 0 HG SER A 142 9.946 -11.690 -2.970 1.00 61.24 H new ATOM 2077 N LYS A 143 8.497 -7.980 -0.035 1.00 65.41 N ATOM 2078 CA LYS A 143 9.295 -6.835 0.260 1.00 74.33 C ATOM 2079 C LYS A 143 10.278 -7.241 1.275 1.00 21.33 C ATOM 2080 O LYS A 143 9.929 -7.847 2.289 1.00 61.24 O ATOM 2081 CB LYS A 143 8.468 -5.656 0.723 1.00 65.03 C ATOM 2082 CG LYS A 143 7.681 -5.025 -0.394 1.00 11.25 C ATOM 2083 CD LYS A 143 8.580 -4.306 -1.398 1.00 35.12 C ATOM 2084 CE LYS A 143 7.774 -3.656 -2.510 1.00 42.42 C ATOM 2085 NZ LYS A 143 8.632 -2.939 -3.472 1.00 62.05 N ATOM 0 H LYS A 143 7.911 -8.284 0.742 1.00 65.41 H new ATOM 0 HA LYS A 143 9.796 -6.492 -0.645 1.00 74.33 H new ATOM 0 HB2 LYS A 143 7.783 -5.983 1.505 1.00 65.03 H new ATOM 0 HB3 LYS A 143 9.125 -4.908 1.167 1.00 65.03 H new ATOM 0 HG2 LYS A 143 7.105 -5.793 -0.910 1.00 11.25 H new ATOM 0 HG3 LYS A 143 6.965 -4.316 0.023 1.00 11.25 H new ATOM 0 HD2 LYS A 143 9.167 -3.546 -0.882 1.00 35.12 H new ATOM 0 HD3 LYS A 143 9.286 -5.016 -1.828 1.00 35.12 H new ATOM 0 HE2 LYS A 143 7.201 -4.420 -3.036 1.00 42.42 H new ATOM 0 HE3 LYS A 143 7.056 -2.960 -2.077 1.00 42.42 H new ATOM 0 HZ1 LYS A 143 8.041 -2.511 -4.213 1.00 62.05 H new ATOM 0 HZ2 LYS A 143 9.160 -2.193 -2.977 1.00 62.05 H new ATOM 0 HZ3 LYS A 143 9.301 -3.607 -3.906 1.00 62.05 H new