USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 23 SER OG : rot -96:sc= 1.19 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -176:sc= 0.558 (180deg=0) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0.358 USER MOD Set 2.2: A 10 GLN : amide:sc= 0.589 X(o=0.95,f=1.3) USER MOD Single : A 9 GLN : amide:sc= -1.83! C(o=-1.8!,f=-6.8!) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.726 F(o=-1.3,f=-0.73) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.101 F(o=-0.85,f=-0.1) USER MOD Single : A 24 ASN : amide:sc= -2.21 X(o=-2.2,f=-2.2) USER MOD Single : A 27 ASN : amide:sc=0.000564 X(o=0.00056,f=0) USER MOD Single : A 28 MET CE :methyl 157:sc= -0.206 (180deg=-0.915) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -13:sc= 1.05 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0936 USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= 1.08 (180deg=-0.647) USER MOD Single : A 51 THR OG1 : rot -17:sc= -0.541 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 1.45 (180deg=0.645!) USER MOD Single : A 64 THR OG1 : rot -114:sc= 0.975 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.26 K(o=0.26,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -104:sc= 1.24 (180deg=-0.754) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.1) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 1.06 (180deg=0.824) USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 11.204 -5.751 8.125 1.00 24.34 N ATOM 79 CA SER A 7 11.870 -4.930 9.148 1.00 23.02 C ATOM 80 C SER A 7 10.838 -4.201 10.031 1.00 61.42 C ATOM 81 O SER A 7 10.067 -3.372 9.549 1.00 61.25 O ATOM 82 CB SER A 7 12.820 -3.911 8.497 1.00 34.24 C ATOM 83 OG SER A 7 12.163 -3.141 7.500 1.00 12.41 O ATOM 0 HA SER A 7 12.454 -5.599 9.780 1.00 23.02 H new ATOM 0 HB2 SER A 7 13.222 -3.248 9.263 1.00 34.24 H new ATOM 0 HB3 SER A 7 13.666 -4.435 8.053 1.00 34.24 H new ATOM 0 HG SER A 7 12.796 -2.504 7.109 1.00 12.41 H new ATOM 89 N PRO A 8 10.806 -4.516 11.341 1.00 50.41 N ATOM 90 CA PRO A 8 9.825 -3.948 12.297 1.00 21.44 C ATOM 91 C PRO A 8 9.832 -2.408 12.388 1.00 54.42 C ATOM 92 O PRO A 8 8.834 -1.800 12.775 1.00 72.44 O ATOM 93 CB PRO A 8 10.236 -4.567 13.641 1.00 10.22 C ATOM 94 CG PRO A 8 10.989 -5.800 13.277 1.00 32.30 C ATOM 95 CD PRO A 8 11.717 -5.470 12.006 1.00 63.14 C ATOM 0 HA PRO A 8 8.808 -4.179 11.982 1.00 21.44 H new ATOM 0 HB2 PRO A 8 10.855 -3.881 14.219 1.00 10.22 H new ATOM 0 HB3 PRO A 8 9.364 -4.802 14.252 1.00 10.22 H new ATOM 0 HG2 PRO A 8 11.686 -6.080 14.066 1.00 32.30 H new ATOM 0 HG3 PRO A 8 10.314 -6.644 13.134 1.00 32.30 H new ATOM 0 HD2 PRO A 8 12.693 -5.026 12.203 1.00 63.14 H new ATOM 0 HD3 PRO A 8 11.888 -6.357 11.396 1.00 63.14 H new ATOM 103 N GLN A 9 10.954 -1.785 12.038 1.00 2.43 N ATOM 104 CA GLN A 9 11.146 -0.337 12.242 1.00 35.34 C ATOM 105 C GLN A 9 10.086 0.498 11.500 1.00 12.12 C ATOM 106 O GLN A 9 9.560 1.474 12.039 1.00 55.12 O ATOM 107 CB GLN A 9 12.550 0.085 11.774 1.00 14.54 C ATOM 108 CG GLN A 9 13.698 -0.524 12.581 1.00 22.30 C ATOM 109 CD GLN A 9 13.860 -2.023 12.382 1.00 51.21 C ATOM 110 OE1 GLN A 9 13.563 -2.563 11.321 1.00 71.51 O ATOM 111 NE2 GLN A 9 14.336 -2.711 13.400 1.00 11.22 N ATOM 0 H GLN A 9 11.751 -2.255 11.610 1.00 2.43 H new ATOM 0 HA GLN A 9 11.038 -0.146 13.310 1.00 35.34 H new ATOM 0 HB2 GLN A 9 12.670 -0.195 10.728 1.00 14.54 H new ATOM 0 HB3 GLN A 9 12.624 1.171 11.823 1.00 14.54 H new ATOM 0 HG2 GLN A 9 14.628 -0.027 12.304 1.00 22.30 H new ATOM 0 HG3 GLN A 9 13.532 -0.323 13.639 1.00 22.30 H new ATOM 0 HE21 GLN A 9 14.574 -2.235 14.270 1.00 11.22 H new ATOM 0 HE22 GLN A 9 14.466 -3.719 13.318 1.00 11.22 H new ATOM 120 N GLN A 10 9.769 0.103 10.271 1.00 44.13 N ATOM 121 CA GLN A 10 8.745 0.784 9.464 1.00 3.31 C ATOM 122 C GLN A 10 7.364 0.748 10.142 1.00 31.52 C ATOM 123 O GLN A 10 6.554 1.659 9.971 1.00 73.53 O ATOM 124 CB GLN A 10 8.658 0.138 8.078 1.00 54.31 C ATOM 125 CG GLN A 10 8.203 -1.315 8.114 1.00 12.45 C ATOM 126 CD GLN A 10 8.433 -2.033 6.801 1.00 12.33 C ATOM 127 OE1 GLN A 10 7.576 -2.050 5.922 1.00 1.21 O ATOM 128 NE2 GLN A 10 9.594 -2.638 6.662 1.00 0.31 N ATOM 0 H GLN A 10 10.207 -0.691 9.803 1.00 44.13 H new ATOM 0 HA GLN A 10 9.042 1.828 9.367 1.00 3.31 H new ATOM 0 HB2 GLN A 10 7.967 0.712 7.461 1.00 54.31 H new ATOM 0 HB3 GLN A 10 9.635 0.193 7.598 1.00 54.31 H new ATOM 0 HG2 GLN A 10 8.736 -1.839 8.908 1.00 12.45 H new ATOM 0 HG3 GLN A 10 7.143 -1.353 8.363 1.00 12.45 H new ATOM 0 HE21 GLN A 10 10.281 -2.602 7.415 1.00 0.31 H new ATOM 0 HE22 GLN A 10 9.806 -3.143 5.802 1.00 0.31 H new ATOM 137 N ILE A 11 7.102 -0.314 10.908 1.00 55.22 N ATOM 138 CA ILE A 11 5.816 -0.484 11.596 1.00 24.44 C ATOM 139 C ILE A 11 5.562 0.672 12.576 1.00 14.23 C ATOM 140 O ILE A 11 4.423 1.108 12.761 1.00 12.04 O ATOM 141 CB ILE A 11 5.761 -1.836 12.353 1.00 43.12 C ATOM 142 CG1 ILE A 11 5.957 -3.006 11.368 1.00 70.51 C ATOM 143 CG2 ILE A 11 4.439 -1.980 13.113 1.00 5.40 C ATOM 144 CD1 ILE A 11 5.997 -4.371 12.025 1.00 3.11 C ATOM 0 H ILE A 11 7.765 -1.072 11.069 1.00 55.22 H new ATOM 0 HA ILE A 11 5.035 -0.479 10.836 1.00 24.44 H new ATOM 0 HB ILE A 11 6.571 -1.858 13.082 1.00 43.12 H new ATOM 0 HG12 ILE A 11 5.148 -2.990 10.637 1.00 70.51 H new ATOM 0 HG13 ILE A 11 6.886 -2.852 10.819 1.00 70.51 H new ATOM 0 HG21 ILE A 11 4.423 -2.936 13.637 1.00 5.40 H new ATOM 0 HG22 ILE A 11 4.344 -1.169 13.835 1.00 5.40 H new ATOM 0 HG23 ILE A 11 3.608 -1.938 12.409 1.00 5.40 H new ATOM 0 HD11 ILE A 11 6.138 -5.138 11.263 1.00 3.11 H new ATOM 0 HD12 ILE A 11 6.823 -4.409 12.735 1.00 3.11 H new ATOM 0 HD13 ILE A 11 5.059 -4.550 12.550 1.00 3.11 H new ATOM 156 N ARG A 12 6.633 1.176 13.181 1.00 53.22 N ATOM 157 CA ARG A 12 6.552 2.361 14.040 1.00 12.12 C ATOM 158 C ARG A 12 5.957 3.550 13.266 1.00 23.22 C ATOM 159 O ARG A 12 5.039 4.219 13.736 1.00 60.11 O ATOM 160 CB ARG A 12 7.957 2.718 14.538 1.00 0.30 C ATOM 161 CG ARG A 12 8.054 4.055 15.268 1.00 3.15 C ATOM 162 CD ARG A 12 9.484 4.574 15.261 1.00 61.22 C ATOM 163 NE ARG A 12 10.015 4.645 13.897 1.00 12.34 N ATOM 164 CZ ARG A 12 11.277 4.769 13.594 1.00 12.22 C ATOM 165 NH1 ARG A 12 12.172 4.937 14.516 1.00 50.50 N1+ ATOM 166 NH2 ARG A 12 11.636 4.749 12.354 1.00 4.14 N ATOM 0 H ARG A 12 7.571 0.784 13.094 1.00 53.22 H new ATOM 0 HA ARG A 12 5.903 2.142 14.888 1.00 12.12 H new ATOM 0 HB2 ARG A 12 8.302 1.929 15.206 1.00 0.30 H new ATOM 0 HB3 ARG A 12 8.637 2.735 13.686 1.00 0.30 H new ATOM 0 HG2 ARG A 12 7.396 4.782 14.792 1.00 3.15 H new ATOM 0 HG3 ARG A 12 7.710 3.939 16.296 1.00 3.15 H new ATOM 0 HD2 ARG A 12 9.517 5.563 15.719 1.00 61.22 H new ATOM 0 HD3 ARG A 12 10.114 3.921 15.866 1.00 61.22 H new ATOM 0 HE ARG A 12 9.348 4.594 13.127 1.00 12.34 H new ATOM 0 HH11 ARG A 12 11.893 4.974 15.497 1.00 50.50 H new ATOM 0 HH12 ARG A 12 13.155 5.032 14.261 1.00 50.50 H new ATOM 0 HH21 ARG A 12 10.935 4.637 11.622 1.00 4.14 H new ATOM 0 HH22 ARG A 12 12.621 4.845 12.107 1.00 4.14 H new ATOM 180 N ASP A 13 6.472 3.784 12.060 1.00 62.20 N ATOM 181 CA ASP A 13 5.979 4.862 11.198 1.00 43.21 C ATOM 182 C ASP A 13 4.558 4.559 10.691 1.00 60.33 C ATOM 183 O ASP A 13 3.742 5.466 10.508 1.00 51.52 O ATOM 184 CB ASP A 13 6.944 5.073 10.028 1.00 62.05 C ATOM 185 CG ASP A 13 8.323 5.496 10.506 1.00 2.04 C ATOM 186 OD1 ASP A 13 8.580 6.717 10.585 1.00 22.11 O ATOM 187 OD2 ASP A 13 9.150 4.612 10.826 1.00 42.20 O1- ATOM 0 H ASP A 13 7.234 3.240 11.655 1.00 62.20 H new ATOM 0 HA ASP A 13 5.929 5.781 11.782 1.00 43.21 H new ATOM 0 HB2 ASP A 13 7.025 4.151 9.453 1.00 62.05 H new ATOM 0 HB3 ASP A 13 6.542 5.833 9.357 1.00 62.05 H new ATOM 192 N ARG A 14 4.267 3.274 10.483 1.00 53.05 N ATOM 193 CA ARG A 14 2.919 2.827 10.112 1.00 50.21 C ATOM 194 C ARG A 14 1.898 3.213 11.196 1.00 75.03 C ATOM 195 O ARG A 14 0.736 3.473 10.903 1.00 43.04 O ATOM 196 CB ARG A 14 2.909 1.310 9.870 1.00 23.42 C ATOM 197 CG ARG A 14 3.785 0.870 8.697 1.00 55.30 C ATOM 198 CD ARG A 14 3.180 1.250 7.346 1.00 20.31 C ATOM 199 NE ARG A 14 2.053 0.387 6.993 1.00 44.13 N ATOM 200 CZ ARG A 14 1.196 0.641 6.039 1.00 50.54 C ATOM 201 NH1 ARG A 14 1.232 1.766 5.395 1.00 44.04 N1+ ATOM 202 NH2 ARG A 14 0.281 -0.224 5.752 1.00 70.50 N ATOM 0 H ARG A 14 4.949 2.520 10.565 1.00 53.05 H new ATOM 0 HA ARG A 14 2.632 3.327 9.187 1.00 50.21 H new ATOM 0 HB2 ARG A 14 3.247 0.804 10.774 1.00 23.42 H new ATOM 0 HB3 ARG A 14 1.884 0.987 9.688 1.00 23.42 H new ATOM 0 HG2 ARG A 14 4.771 1.325 8.792 1.00 55.30 H new ATOM 0 HG3 ARG A 14 3.927 -0.210 8.738 1.00 55.30 H new ATOM 0 HD2 ARG A 14 2.848 2.288 7.376 1.00 20.31 H new ATOM 0 HD3 ARG A 14 3.946 1.182 6.573 1.00 20.31 H new ATOM 0 HE ARG A 14 1.927 -0.472 7.528 1.00 44.13 H new ATOM 0 HH11 ARG A 14 1.935 2.466 5.631 1.00 44.04 H new ATOM 0 HH12 ARG A 14 0.557 1.951 4.653 1.00 44.04 H new ATOM 0 HH21 ARG A 14 0.229 -1.102 6.269 1.00 70.50 H new ATOM 0 HH22 ARG A 14 -0.389 -0.029 5.008 1.00 70.50 H new ATOM 216 N LEU A 15 2.335 3.237 12.450 1.00 4.30 N ATOM 217 CA LEU A 15 1.500 3.746 13.542 1.00 53.43 C ATOM 218 C LEU A 15 1.298 5.271 13.412 1.00 31.02 C ATOM 219 O LEU A 15 0.183 5.781 13.546 1.00 32.33 O ATOM 220 CB LEU A 15 2.142 3.413 14.899 1.00 54.40 C ATOM 221 CG LEU A 15 1.321 3.817 16.136 1.00 73.14 C ATOM 222 CD1 LEU A 15 -0.011 3.071 16.170 1.00 13.31 C ATOM 223 CD2 LEU A 15 2.117 3.570 17.418 1.00 13.50 C ATOM 0 H LEU A 15 3.258 2.912 12.739 1.00 4.30 H new ATOM 0 HA LEU A 15 0.525 3.263 13.481 1.00 53.43 H new ATOM 0 HB2 LEU A 15 2.326 2.339 14.941 1.00 54.40 H new ATOM 0 HB3 LEU A 15 3.113 3.905 14.952 1.00 54.40 H new ATOM 0 HG LEU A 15 1.108 4.884 16.070 1.00 73.14 H new ATOM 0 HD11 LEU A 15 -0.574 3.372 17.053 1.00 13.31 H new ATOM 0 HD12 LEU A 15 -0.585 3.310 15.274 1.00 13.31 H new ATOM 0 HD13 LEU A 15 0.174 1.997 16.207 1.00 13.31 H new ATOM 0 HD21 LEU A 15 1.518 3.862 18.280 1.00 13.50 H new ATOM 0 HD22 LEU A 15 2.368 2.512 17.492 1.00 13.50 H new ATOM 0 HD23 LEU A 15 3.034 4.159 17.396 1.00 13.50 H new ATOM 235 N LEU A 16 2.388 5.987 13.121 1.00 4.10 N ATOM 236 CA LEU A 16 2.369 7.459 13.041 1.00 44.54 C ATOM 237 C LEU A 16 1.493 7.986 11.889 1.00 3.44 C ATOM 238 O LEU A 16 0.932 9.077 11.985 1.00 32.20 O ATOM 239 CB LEU A 16 3.800 8.019 12.916 1.00 10.34 C ATOM 240 CG LEU A 16 4.559 8.225 14.245 1.00 32.23 C ATOM 241 CD1 LEU A 16 3.835 9.239 15.131 1.00 72.32 C ATOM 242 CD2 LEU A 16 4.748 6.903 14.985 1.00 62.33 C ATOM 0 H LEU A 16 3.301 5.573 12.935 1.00 4.10 H new ATOM 0 HA LEU A 16 1.922 7.811 13.971 1.00 44.54 H new ATOM 0 HB2 LEU A 16 4.381 7.343 12.289 1.00 10.34 H new ATOM 0 HB3 LEU A 16 3.752 8.975 12.395 1.00 10.34 H new ATOM 0 HG LEU A 16 5.547 8.619 14.006 1.00 32.23 H new ATOM 0 HD11 LEU A 16 4.387 9.369 16.062 1.00 72.32 H new ATOM 0 HD12 LEU A 16 3.770 10.195 14.612 1.00 72.32 H new ATOM 0 HD13 LEU A 16 2.831 8.877 15.352 1.00 72.32 H new ATOM 0 HD21 LEU A 16 5.285 7.081 15.916 1.00 62.33 H new ATOM 0 HD22 LEU A 16 3.774 6.467 15.206 1.00 62.33 H new ATOM 0 HD23 LEU A 16 5.320 6.216 14.362 1.00 62.33 H new ATOM 254 N GLN A 17 1.381 7.234 10.797 1.00 4.20 N ATOM 255 CA GLN A 17 0.507 7.643 9.686 1.00 62.22 C ATOM 256 C GLN A 17 -0.973 7.623 10.112 1.00 74.00 C ATOM 257 O GLN A 17 -1.808 8.330 9.542 1.00 53.35 O ATOM 258 CB GLN A 17 0.707 6.741 8.451 1.00 13.54 C ATOM 259 CG GLN A 17 0.347 5.279 8.685 1.00 1.31 C ATOM 260 CD GLN A 17 0.346 4.437 7.417 1.00 40.14 C ATOM 261 OE1 GLN A 17 -0.472 3.401 7.400 1.00 72.30 O flip ATOM 262 NE2 GLN A 17 1.080 4.702 6.470 1.00 73.12 N flip ATOM 0 H GLN A 17 1.873 6.352 10.652 1.00 4.20 H new ATOM 0 HA GLN A 17 0.783 8.663 9.417 1.00 62.22 H new ATOM 0 HB2 GLN A 17 0.102 7.127 7.631 1.00 13.54 H new ATOM 0 HB3 GLN A 17 1.748 6.802 8.135 1.00 13.54 H new ATOM 0 HG2 GLN A 17 1.054 4.849 9.395 1.00 1.31 H new ATOM 0 HG3 GLN A 17 -0.639 5.226 9.146 1.00 1.31 H new ATOM 0 HE21 GLN A 17 1.700 5.510 6.516 1.00 73.12 H new ATOM 0 HE22 GLN A 17 1.070 4.114 5.637 1.00 73.12 H new ATOM 271 N ALA A 18 -1.288 6.821 11.131 1.00 4.41 N ATOM 272 CA ALA A 18 -2.672 6.653 11.587 1.00 31.52 C ATOM 273 C ALA A 18 -3.042 7.604 12.733 1.00 25.53 C ATOM 274 O ALA A 18 -4.209 7.979 12.878 1.00 63.22 O ATOM 275 CB ALA A 18 -2.890 5.213 12.028 1.00 14.10 C ATOM 0 H ALA A 18 -0.604 6.277 11.657 1.00 4.41 H new ATOM 0 HA ALA A 18 -3.320 6.899 10.746 1.00 31.52 H new ATOM 0 HB1 ALA A 18 -3.918 5.088 12.367 1.00 14.10 H new ATOM 0 HB2 ALA A 18 -2.700 4.543 11.189 1.00 14.10 H new ATOM 0 HB3 ALA A 18 -2.208 4.975 12.844 1.00 14.10 H new ATOM 281 N ILE A 19 -2.056 8.006 13.537 1.00 55.02 N ATOM 282 CA ILE A 19 -2.320 8.849 14.714 1.00 65.32 C ATOM 283 C ILE A 19 -1.368 10.050 14.807 1.00 21.51 C ATOM 284 O ILE A 19 -0.201 9.973 14.423 1.00 43.32 O ATOM 285 CB ILE A 19 -2.214 8.036 16.035 1.00 14.23 C ATOM 286 CG1 ILE A 19 -0.790 7.478 16.224 1.00 61.22 C ATOM 287 CG2 ILE A 19 -3.244 6.910 16.062 1.00 54.41 C ATOM 288 CD1 ILE A 19 -0.592 6.729 17.528 1.00 14.14 C ATOM 0 H ILE A 19 -1.074 7.766 13.400 1.00 55.02 H new ATOM 0 HA ILE A 19 -3.338 9.217 14.584 1.00 65.32 H new ATOM 0 HB ILE A 19 -2.426 8.711 16.865 1.00 14.23 H new ATOM 0 HG12 ILE A 19 -0.559 6.810 15.394 1.00 61.22 H new ATOM 0 HG13 ILE A 19 -0.078 8.302 16.178 1.00 61.22 H new ATOM 0 HG21 ILE A 19 -3.151 6.355 16.995 1.00 54.41 H new ATOM 0 HG22 ILE A 19 -4.246 7.332 15.989 1.00 54.41 H new ATOM 0 HG23 ILE A 19 -3.071 6.238 15.221 1.00 54.41 H new ATOM 0 HD11 ILE A 19 0.434 6.367 17.587 1.00 14.14 H new ATOM 0 HD12 ILE A 19 -0.790 7.398 18.366 1.00 14.14 H new ATOM 0 HD13 ILE A 19 -1.278 5.883 17.569 1.00 14.14 H new ATOM 300 N ASP A 20 -1.880 11.160 15.324 1.00 62.04 N ATOM 301 CA ASP A 20 -1.063 12.342 15.598 1.00 24.30 C ATOM 302 C ASP A 20 -0.187 12.134 16.856 1.00 63.15 C ATOM 303 O ASP A 20 -0.454 11.241 17.660 1.00 52.22 O ATOM 304 CB ASP A 20 -1.980 13.556 15.767 1.00 2.42 C ATOM 305 CG ASP A 20 -2.630 13.977 14.465 1.00 12.52 C ATOM 306 OD1 ASP A 20 -3.588 13.312 14.039 1.00 2.33 O ATOM 307 OD2 ASP A 20 -2.180 14.980 13.866 1.00 33.05 O1- ATOM 0 H ASP A 20 -2.865 11.269 15.565 1.00 62.04 H new ATOM 0 HA ASP A 20 -0.389 12.512 14.759 1.00 24.30 H new ATOM 0 HB2 ASP A 20 -2.755 13.323 16.498 1.00 2.42 H new ATOM 0 HB3 ASP A 20 -1.404 14.390 16.168 1.00 2.42 H new ATOM 312 N PRO A 21 0.876 12.958 17.040 1.00 65.10 N ATOM 313 CA PRO A 21 1.811 12.839 18.186 1.00 54.22 C ATOM 314 C PRO A 21 1.131 12.658 19.560 1.00 2.22 C ATOM 315 O PRO A 21 1.712 12.073 20.476 1.00 51.44 O ATOM 316 CB PRO A 21 2.576 14.166 18.137 1.00 53.30 C ATOM 317 CG PRO A 21 2.598 14.525 16.691 1.00 5.22 C ATOM 318 CD PRO A 21 1.277 14.056 16.130 1.00 50.10 C ATOM 0 HA PRO A 21 2.427 11.945 18.093 1.00 54.22 H new ATOM 0 HB2 PRO A 21 2.079 14.934 18.730 1.00 53.30 H new ATOM 0 HB3 PRO A 21 3.585 14.059 18.536 1.00 53.30 H new ATOM 0 HG2 PRO A 21 2.720 15.600 16.557 1.00 5.22 H new ATOM 0 HG3 PRO A 21 3.432 14.043 16.181 1.00 5.22 H new ATOM 0 HD2 PRO A 21 0.539 14.858 16.121 1.00 50.10 H new ATOM 0 HD3 PRO A 21 1.380 13.707 15.103 1.00 50.10 H new ATOM 326 N GLN A 22 -0.096 13.159 19.708 1.00 62.04 N ATOM 327 CA GLN A 22 -0.850 12.997 20.961 1.00 11.41 C ATOM 328 C GLN A 22 -1.698 11.710 20.967 1.00 13.23 C ATOM 329 O GLN A 22 -2.683 11.606 21.704 1.00 41.21 O ATOM 330 CB GLN A 22 -1.735 14.226 21.213 1.00 34.20 C ATOM 331 CG GLN A 22 -0.945 15.501 21.501 1.00 15.41 C ATOM 332 CD GLN A 22 -0.086 15.406 22.756 1.00 11.43 C ATOM 333 OE1 GLN A 22 -0.541 14.657 23.742 1.00 64.41 O flip ATOM 334 NE2 GLN A 22 0.976 16.016 22.846 1.00 13.41 N flip ATOM 0 H GLN A 22 -0.591 13.678 18.983 1.00 62.04 H new ATOM 0 HA GLN A 22 -0.124 12.908 21.769 1.00 11.41 H new ATOM 0 HB2 GLN A 22 -2.370 14.391 20.342 1.00 34.20 H new ATOM 0 HB3 GLN A 22 -2.396 14.021 22.055 1.00 34.20 H new ATOM 0 HG2 GLN A 22 -0.305 15.725 20.647 1.00 15.41 H new ATOM 0 HG3 GLN A 22 -1.639 16.335 21.606 1.00 15.41 H new ATOM 0 HE21 GLN A 22 1.303 16.588 22.067 1.00 13.41 H new ATOM 0 HE22 GLN A 22 1.531 15.951 23.699 1.00 13.41 H new ATOM 343 N SER A 23 -1.312 10.739 20.138 1.00 55.23 N ATOM 344 CA SER A 23 -1.930 9.401 20.139 1.00 62.24 C ATOM 345 C SER A 23 -3.433 9.435 19.821 1.00 71.03 C ATOM 346 O SER A 23 -4.205 8.640 20.357 1.00 44.04 O ATOM 347 CB SER A 23 -1.699 8.715 21.494 1.00 33.33 C ATOM 348 OG SER A 23 -0.336 8.349 21.662 1.00 10.34 O ATOM 0 H SER A 23 -0.568 10.851 19.449 1.00 55.23 H new ATOM 0 HA SER A 23 -1.449 8.831 19.344 1.00 62.24 H new ATOM 0 HB2 SER A 23 -2.000 9.385 22.299 1.00 33.33 H new ATOM 0 HB3 SER A 23 -2.328 7.828 21.567 1.00 33.33 H new ATOM 0 HG SER A 23 -0.215 7.412 21.403 1.00 10.34 H new ATOM 354 N ASN A 24 -3.841 10.329 18.926 1.00 45.12 N ATOM 355 CA ASN A 24 -5.251 10.428 18.521 1.00 53.34 C ATOM 356 C ASN A 24 -5.459 9.970 17.065 1.00 31.34 C ATOM 357 O ASN A 24 -4.734 10.383 16.160 1.00 11.11 O ATOM 358 CB ASN A 24 -5.770 11.859 18.736 1.00 1.21 C ATOM 359 CG ASN A 24 -4.860 12.917 18.143 1.00 44.34 C ATOM 360 OD1 ASN A 24 -5.048 13.357 17.019 1.00 30.23 O ATOM 361 ND2 ASN A 24 -3.865 13.334 18.897 1.00 32.20 N ATOM 0 H ASN A 24 -3.222 10.996 18.465 1.00 45.12 H new ATOM 0 HA ASN A 24 -5.830 9.754 19.152 1.00 53.34 H new ATOM 0 HB2 ASN A 24 -6.761 11.950 18.292 1.00 1.21 H new ATOM 0 HB3 ASN A 24 -5.882 12.042 19.805 1.00 1.21 H new ATOM 0 HD21 ASN A 24 -3.223 14.045 18.547 1.00 32.20 H new ATOM 0 HD22 ASN A 24 -3.736 12.946 19.831 1.00 32.20 H new ATOM 368 N ILE A 25 -6.454 9.102 16.859 1.00 75.32 N ATOM 369 CA ILE A 25 -6.753 8.539 15.531 1.00 53.33 C ATOM 370 C ILE A 25 -7.133 9.629 14.517 1.00 1.04 C ATOM 371 O ILE A 25 -8.125 10.340 14.702 1.00 43.44 O ATOM 372 CB ILE A 25 -7.916 7.509 15.608 1.00 41.41 C ATOM 373 CG1 ILE A 25 -7.509 6.278 16.439 1.00 15.34 C ATOM 374 CG2 ILE A 25 -8.367 7.084 14.206 1.00 3.11 C ATOM 375 CD1 ILE A 25 -6.458 5.410 15.776 1.00 42.51 C ATOM 0 H ILE A 25 -7.073 8.770 17.599 1.00 75.32 H new ATOM 0 HA ILE A 25 -5.841 8.045 15.196 1.00 53.33 H new ATOM 0 HB ILE A 25 -8.756 7.994 16.105 1.00 41.41 H new ATOM 0 HG12 ILE A 25 -7.133 6.613 17.406 1.00 15.34 H new ATOM 0 HG13 ILE A 25 -8.395 5.674 16.634 1.00 15.34 H new ATOM 0 HG21 ILE A 25 -9.181 6.364 14.288 1.00 3.11 H new ATOM 0 HG22 ILE A 25 -8.711 7.959 13.654 1.00 3.11 H new ATOM 0 HG23 ILE A 25 -7.530 6.627 13.678 1.00 3.11 H new ATOM 0 HD11 ILE A 25 -6.224 4.564 16.422 1.00 42.51 H new ATOM 0 HD12 ILE A 25 -6.837 5.044 14.822 1.00 42.51 H new ATOM 0 HD13 ILE A 25 -5.555 5.997 15.606 1.00 42.51 H new ATOM 387 N ARG A 26 -6.338 9.765 13.456 1.00 54.33 N ATOM 388 CA ARG A 26 -6.678 10.673 12.353 1.00 2.35 C ATOM 389 C ARG A 26 -7.035 9.884 11.077 1.00 64.05 C ATOM 390 O ARG A 26 -7.740 10.387 10.201 1.00 54.14 O ATOM 391 CB ARG A 26 -5.526 11.654 12.081 1.00 0.52 C ATOM 392 CG ARG A 26 -5.983 12.941 11.396 1.00 24.30 C ATOM 393 CD ARG A 26 -4.857 13.959 11.239 1.00 13.53 C ATOM 394 NE ARG A 26 -3.790 13.494 10.357 1.00 12.00 N ATOM 395 CZ ARG A 26 -3.012 14.289 9.674 1.00 4.21 C ATOM 396 NH1 ARG A 26 -3.165 15.576 9.737 1.00 33.55 N1+ ATOM 397 NH2 ARG A 26 -2.086 13.793 8.923 1.00 33.41 N ATOM 0 H ARG A 26 -5.459 9.263 13.334 1.00 54.33 H new ATOM 0 HA ARG A 26 -7.555 11.249 12.649 1.00 2.35 H new ATOM 0 HB2 ARG A 26 -5.040 11.904 13.024 1.00 0.52 H new ATOM 0 HB3 ARG A 26 -4.779 11.163 11.457 1.00 0.52 H new ATOM 0 HG2 ARG A 26 -6.388 12.700 10.413 1.00 24.30 H new ATOM 0 HG3 ARG A 26 -6.792 13.387 11.974 1.00 24.30 H new ATOM 0 HD2 ARG A 26 -5.267 14.889 10.846 1.00 13.53 H new ATOM 0 HD3 ARG A 26 -4.438 14.185 12.220 1.00 13.53 H new ATOM 0 HE ARG A 26 -3.644 12.488 10.269 1.00 12.00 H new ATOM 0 HH11 ARG A 26 -3.898 15.974 10.324 1.00 33.55 H new ATOM 0 HH12 ARG A 26 -2.552 16.189 9.200 1.00 33.55 H new ATOM 0 HH21 ARG A 26 -1.964 12.782 8.864 1.00 33.41 H new ATOM 0 HH22 ARG A 26 -1.477 14.412 8.388 1.00 33.41 H new ATOM 411 N ASN A 27 -6.533 8.646 10.976 1.00 54.24 N ATOM 412 CA ASN A 27 -6.879 7.749 9.859 1.00 73.31 C ATOM 413 C ASN A 27 -7.202 6.329 10.353 1.00 11.41 C ATOM 414 O ASN A 27 -6.312 5.594 10.784 1.00 4.42 O ATOM 415 CB ASN A 27 -5.745 7.682 8.825 1.00 54.11 C ATOM 416 CG ASN A 27 -5.493 9.015 8.148 1.00 44.23 C ATOM 417 OD1 ASN A 27 -6.179 9.379 7.199 1.00 3.40 O ATOM 418 ND2 ASN A 27 -4.488 9.734 8.600 1.00 14.44 N ATOM 0 H ASN A 27 -5.886 8.241 11.653 1.00 54.24 H new ATOM 0 HA ASN A 27 -7.768 8.167 9.386 1.00 73.31 H new ATOM 0 HB2 ASN A 27 -4.830 7.349 9.316 1.00 54.11 H new ATOM 0 HB3 ASN A 27 -5.991 6.936 8.069 1.00 54.11 H new ATOM 0 HD21 ASN A 27 -4.259 10.625 8.159 1.00 14.44 H new ATOM 0 HD22 ASN A 27 -3.938 9.401 9.392 1.00 14.44 H new ATOM 425 N MET A 28 -8.477 5.950 10.277 1.00 22.54 N ATOM 426 CA MET A 28 -8.925 4.613 10.696 1.00 55.43 C ATOM 427 C MET A 28 -8.291 3.508 9.833 1.00 25.34 C ATOM 428 O MET A 28 -7.847 2.482 10.344 1.00 1.24 O ATOM 429 CB MET A 28 -10.455 4.518 10.615 1.00 41.22 C ATOM 430 CG MET A 28 -11.018 3.181 11.089 1.00 12.51 C ATOM 431 SD MET A 28 -12.794 3.034 10.805 1.00 40.12 S ATOM 432 CE MET A 28 -12.863 3.139 9.016 1.00 62.33 C ATOM 0 H MET A 28 -9.225 6.550 9.928 1.00 22.54 H new ATOM 0 HA MET A 28 -8.604 4.465 11.727 1.00 55.43 H new ATOM 0 HB2 MET A 28 -10.891 5.317 11.214 1.00 41.22 H new ATOM 0 HB3 MET A 28 -10.766 4.687 9.584 1.00 41.22 H new ATOM 0 HG2 MET A 28 -10.503 2.371 10.572 1.00 12.51 H new ATOM 0 HG3 MET A 28 -10.813 3.062 12.153 1.00 12.51 H new ATOM 0 HE1 MET A 28 -13.781 2.672 8.659 1.00 62.33 H new ATOM 0 HE2 MET A 28 -12.846 4.186 8.712 1.00 62.33 H new ATOM 0 HE3 MET A 28 -12.004 2.623 8.588 1.00 62.33 H new ATOM 442 N VAL A 29 -8.258 3.725 8.522 1.00 62.32 N ATOM 443 CA VAL A 29 -7.679 2.754 7.584 1.00 35.13 C ATOM 444 C VAL A 29 -6.220 2.410 7.933 1.00 35.42 C ATOM 445 O VAL A 29 -5.845 1.239 8.008 1.00 32.42 O ATOM 446 CB VAL A 29 -7.742 3.292 6.132 1.00 45.22 C ATOM 447 CG1 VAL A 29 -7.003 2.367 5.165 1.00 23.42 C ATOM 448 CG2 VAL A 29 -9.193 3.483 5.692 1.00 10.42 C ATOM 0 H VAL A 29 -8.626 4.567 8.078 1.00 62.32 H new ATOM 0 HA VAL A 29 -8.274 1.844 7.667 1.00 35.13 H new ATOM 0 HB VAL A 29 -7.244 4.261 6.113 1.00 45.22 H new ATOM 0 HG11 VAL A 29 -7.065 2.772 4.155 1.00 23.42 H new ATOM 0 HG12 VAL A 29 -5.957 2.291 5.462 1.00 23.42 H new ATOM 0 HG13 VAL A 29 -7.459 1.377 5.188 1.00 23.42 H new ATOM 0 HG21 VAL A 29 -9.217 3.861 4.670 1.00 10.42 H new ATOM 0 HG22 VAL A 29 -9.716 2.528 5.737 1.00 10.42 H new ATOM 0 HG23 VAL A 29 -9.683 4.197 6.354 1.00 10.42 H new ATOM 458 N ALA A 30 -5.415 3.442 8.172 1.00 55.12 N ATOM 459 CA ALA A 30 -3.977 3.275 8.406 1.00 70.51 C ATOM 460 C ALA A 30 -3.664 2.389 9.628 1.00 70.45 C ATOM 461 O ALA A 30 -2.784 1.529 9.569 1.00 44.25 O ATOM 462 CB ALA A 30 -3.318 4.641 8.551 1.00 62.25 C ATOM 0 H ALA A 30 -5.734 4.410 8.210 1.00 55.12 H new ATOM 0 HA ALA A 30 -3.567 2.757 7.539 1.00 70.51 H new ATOM 0 HB1 ALA A 30 -2.250 4.513 8.725 1.00 62.25 H new ATOM 0 HB2 ALA A 30 -3.471 5.217 7.639 1.00 62.25 H new ATOM 0 HB3 ALA A 30 -3.762 5.171 9.394 1.00 62.25 H new ATOM 468 N VAL A 31 -4.374 2.604 10.738 1.00 43.15 N ATOM 469 CA VAL A 31 -4.146 1.817 11.960 1.00 21.22 C ATOM 470 C VAL A 31 -4.503 0.331 11.757 1.00 74.35 C ATOM 471 O VAL A 31 -3.798 -0.561 12.237 1.00 71.22 O ATOM 472 CB VAL A 31 -4.922 2.394 13.179 1.00 25.45 C ATOM 473 CG1 VAL A 31 -6.431 2.341 12.960 1.00 34.24 C ATOM 474 CG2 VAL A 31 -4.527 1.668 14.466 1.00 72.30 C ATOM 0 H VAL A 31 -5.106 3.309 10.820 1.00 43.15 H new ATOM 0 HA VAL A 31 -3.080 1.887 12.175 1.00 21.22 H new ATOM 0 HB VAL A 31 -4.645 3.443 13.281 1.00 25.45 H new ATOM 0 HG11 VAL A 31 -6.940 2.752 13.832 1.00 34.24 H new ATOM 0 HG12 VAL A 31 -6.691 2.926 12.078 1.00 34.24 H new ATOM 0 HG13 VAL A 31 -6.741 1.306 12.813 1.00 34.24 H new ATOM 0 HG21 VAL A 31 -5.082 2.088 15.305 1.00 72.30 H new ATOM 0 HG22 VAL A 31 -4.759 0.607 14.371 1.00 72.30 H new ATOM 0 HG23 VAL A 31 -3.458 1.791 14.640 1.00 72.30 H new ATOM 484 N LEU A 32 -5.589 0.070 11.025 1.00 13.54 N ATOM 485 CA LEU A 32 -6.031 -1.305 10.758 1.00 63.01 C ATOM 486 C LEU A 32 -4.955 -2.108 10.007 1.00 14.34 C ATOM 487 O LEU A 32 -4.812 -3.319 10.210 1.00 52.30 O ATOM 488 CB LEU A 32 -7.340 -1.296 9.954 1.00 22.24 C ATOM 489 CG LEU A 32 -8.536 -0.620 10.649 1.00 62.34 C ATOM 490 CD1 LEU A 32 -9.766 -0.624 9.742 1.00 34.34 C ATOM 491 CD2 LEU A 32 -8.840 -1.301 11.982 1.00 54.15 C ATOM 0 H LEU A 32 -6.179 0.790 10.607 1.00 13.54 H new ATOM 0 HA LEU A 32 -6.203 -1.791 11.718 1.00 63.01 H new ATOM 0 HB2 LEU A 32 -7.160 -0.791 9.005 1.00 22.24 H new ATOM 0 HB3 LEU A 32 -7.611 -2.326 9.721 1.00 22.24 H new ATOM 0 HG LEU A 32 -8.271 0.418 10.850 1.00 62.34 H new ATOM 0 HD11 LEU A 32 -10.598 -0.141 10.255 1.00 34.34 H new ATOM 0 HD12 LEU A 32 -9.542 -0.082 8.823 1.00 34.34 H new ATOM 0 HD13 LEU A 32 -10.036 -1.652 9.500 1.00 34.34 H new ATOM 0 HD21 LEU A 32 -9.688 -0.808 12.457 1.00 54.15 H new ATOM 0 HD22 LEU A 32 -9.080 -2.350 11.808 1.00 54.15 H new ATOM 0 HD23 LEU A 32 -7.969 -1.231 12.633 1.00 54.15 H new ATOM 503 N GLU A 33 -4.192 -1.427 9.148 1.00 61.23 N ATOM 504 CA GLU A 33 -3.095 -2.064 8.408 1.00 13.11 C ATOM 505 C GLU A 33 -2.060 -2.673 9.369 1.00 13.32 C ATOM 506 O GLU A 33 -1.567 -3.783 9.150 1.00 72.53 O ATOM 507 CB GLU A 33 -2.395 -1.044 7.494 1.00 32.22 C ATOM 508 CG GLU A 33 -3.313 -0.363 6.481 1.00 34.41 C ATOM 509 CD GLU A 33 -2.547 0.538 5.519 1.00 1.12 C ATOM 510 OE1 GLU A 33 -2.283 1.708 5.861 1.00 71.23 O ATOM 511 OE2 GLU A 33 -2.171 0.066 4.422 1.00 12.41 O1- ATOM 0 H GLU A 33 -4.312 -0.434 8.946 1.00 61.23 H new ATOM 0 HA GLU A 33 -3.528 -2.860 7.801 1.00 13.11 H new ATOM 0 HB2 GLU A 33 -1.930 -0.279 8.115 1.00 32.22 H new ATOM 0 HB3 GLU A 33 -1.593 -1.549 6.956 1.00 32.22 H new ATOM 0 HG2 GLU A 33 -3.851 -1.123 5.913 1.00 34.41 H new ATOM 0 HG3 GLU A 33 -4.060 0.227 7.011 1.00 34.41 H new ATOM 518 N VAL A 34 -1.751 -1.938 10.438 1.00 3.44 N ATOM 519 CA VAL A 34 -0.744 -2.361 11.418 1.00 42.13 C ATOM 520 C VAL A 34 -1.157 -3.658 12.140 1.00 12.24 C ATOM 521 O VAL A 34 -0.389 -4.619 12.201 1.00 13.42 O ATOM 522 CB VAL A 34 -0.485 -1.248 12.468 1.00 1.43 C ATOM 523 CG1 VAL A 34 0.630 -1.649 13.432 1.00 3.11 C ATOM 524 CG2 VAL A 34 -0.159 0.077 11.778 1.00 72.43 C ATOM 0 H VAL A 34 -2.186 -1.040 10.650 1.00 3.44 H new ATOM 0 HA VAL A 34 0.174 -2.552 10.862 1.00 42.13 H new ATOM 0 HB VAL A 34 -1.396 -1.115 13.051 1.00 1.43 H new ATOM 0 HG11 VAL A 34 0.790 -0.850 14.156 1.00 3.11 H new ATOM 0 HG12 VAL A 34 0.347 -2.562 13.955 1.00 3.11 H new ATOM 0 HG13 VAL A 34 1.550 -1.821 12.873 1.00 3.11 H new ATOM 0 HG21 VAL A 34 0.019 0.845 12.531 1.00 72.43 H new ATOM 0 HG22 VAL A 34 0.733 -0.043 11.163 1.00 72.43 H new ATOM 0 HG23 VAL A 34 -0.997 0.375 11.148 1.00 72.43 H new ATOM 534 N ILE A 35 -2.379 -3.688 12.669 1.00 53.43 N ATOM 535 CA ILE A 35 -2.881 -4.873 13.381 1.00 52.01 C ATOM 536 C ILE A 35 -2.869 -6.118 12.475 1.00 14.22 C ATOM 537 O ILE A 35 -2.368 -7.176 12.862 1.00 0.30 O ATOM 538 CB ILE A 35 -4.316 -4.645 13.949 1.00 41.21 C ATOM 539 CG1 ILE A 35 -4.291 -3.693 15.167 1.00 33.41 C ATOM 540 CG2 ILE A 35 -4.975 -5.975 14.329 1.00 15.34 C ATOM 541 CD1 ILE A 35 -3.865 -2.272 14.853 1.00 1.42 C ATOM 0 H ILE A 35 -3.040 -2.913 12.621 1.00 53.43 H new ATOM 0 HA ILE A 35 -2.205 -5.043 14.219 1.00 52.01 H new ATOM 0 HB ILE A 35 -4.909 -4.178 13.162 1.00 41.21 H new ATOM 0 HG12 ILE A 35 -5.285 -3.669 15.613 1.00 33.41 H new ATOM 0 HG13 ILE A 35 -3.615 -4.103 15.917 1.00 33.41 H new ATOM 0 HG21 ILE A 35 -5.974 -5.787 14.722 1.00 15.34 H new ATOM 0 HG22 ILE A 35 -5.046 -6.611 13.447 1.00 15.34 H new ATOM 0 HG23 ILE A 35 -4.374 -6.475 15.089 1.00 15.34 H new ATOM 0 HD11 ILE A 35 -3.878 -1.678 15.767 1.00 1.42 H new ATOM 0 HD12 ILE A 35 -2.857 -2.278 14.438 1.00 1.42 H new ATOM 0 HD13 ILE A 35 -4.554 -1.837 14.128 1.00 1.42 H new ATOM 553 N SER A 36 -3.396 -5.974 11.258 1.00 55.10 N ATOM 554 CA SER A 36 -3.455 -7.090 10.299 1.00 21.11 C ATOM 555 C SER A 36 -2.054 -7.644 9.991 1.00 2.01 C ATOM 556 O SER A 36 -1.850 -8.859 9.943 1.00 32.12 O ATOM 557 CB SER A 36 -4.132 -6.645 8.994 1.00 63.15 C ATOM 558 OG SER A 36 -4.322 -7.740 8.108 1.00 41.03 O ATOM 0 H SER A 36 -3.789 -5.100 10.909 1.00 55.10 H new ATOM 0 HA SER A 36 -4.044 -7.883 10.759 1.00 21.11 H new ATOM 0 HB2 SER A 36 -5.095 -6.187 9.220 1.00 63.15 H new ATOM 0 HB3 SER A 36 -3.523 -5.883 8.508 1.00 63.15 H new ATOM 0 HG SER A 36 -4.756 -7.425 7.288 1.00 41.03 H new ATOM 564 N SER A 37 -1.085 -6.748 9.783 1.00 13.42 N ATOM 565 CA SER A 37 0.299 -7.162 9.505 1.00 63.13 C ATOM 566 C SER A 37 0.955 -7.827 10.726 1.00 71.44 C ATOM 567 O SER A 37 1.688 -8.805 10.588 1.00 25.44 O ATOM 568 CB SER A 37 1.150 -5.969 9.034 1.00 54.15 C ATOM 569 OG SER A 37 1.185 -4.925 9.998 1.00 1.31 O ATOM 0 H SER A 37 -1.228 -5.738 9.801 1.00 13.42 H new ATOM 0 HA SER A 37 0.253 -7.900 8.704 1.00 63.13 H new ATOM 0 HB2 SER A 37 2.166 -6.307 8.829 1.00 54.15 H new ATOM 0 HB3 SER A 37 0.747 -5.584 8.097 1.00 54.15 H new ATOM 0 HG SER A 37 0.497 -5.084 10.677 1.00 1.31 H new ATOM 575 N LEU A 38 0.666 -7.310 11.924 1.00 1.50 N ATOM 576 CA LEU A 38 1.286 -7.814 13.163 1.00 40.24 C ATOM 577 C LEU A 38 0.806 -9.227 13.530 1.00 31.12 C ATOM 578 O LEU A 38 1.517 -9.969 14.210 1.00 51.33 O ATOM 579 CB LEU A 38 1.035 -6.841 14.330 1.00 15.15 C ATOM 580 CG LEU A 38 2.136 -5.785 14.556 1.00 73.52 C ATOM 581 CD1 LEU A 38 2.454 -5.029 13.269 1.00 11.22 C ATOM 582 CD2 LEU A 38 1.732 -4.817 15.668 1.00 53.33 C ATOM 0 H LEU A 38 0.008 -6.544 12.067 1.00 1.50 H new ATOM 0 HA LEU A 38 2.358 -7.879 12.976 1.00 40.24 H new ATOM 0 HB2 LEU A 38 0.091 -6.326 14.155 1.00 15.15 H new ATOM 0 HB3 LEU A 38 0.917 -7.421 15.246 1.00 15.15 H new ATOM 0 HG LEU A 38 3.042 -6.307 14.865 1.00 73.52 H new ATOM 0 HD11 LEU A 38 3.234 -4.292 13.463 1.00 11.22 H new ATOM 0 HD12 LEU A 38 2.799 -5.731 12.510 1.00 11.22 H new ATOM 0 HD13 LEU A 38 1.557 -4.522 12.913 1.00 11.22 H new ATOM 0 HD21 LEU A 38 2.521 -4.079 15.813 1.00 53.33 H new ATOM 0 HD22 LEU A 38 0.808 -4.310 15.391 1.00 53.33 H new ATOM 0 HD23 LEU A 38 1.578 -5.371 16.594 1.00 53.33 H new ATOM 594 N GLU A 39 -0.396 -9.601 13.091 1.00 2.52 N ATOM 595 CA GLU A 39 -0.897 -10.964 13.320 1.00 54.43 C ATOM 596 C GLU A 39 -0.036 -12.006 12.585 1.00 74.11 C ATOM 597 O GLU A 39 0.181 -13.114 13.082 1.00 52.34 O ATOM 598 CB GLU A 39 -2.361 -11.103 12.874 1.00 75.51 C ATOM 599 CG GLU A 39 -3.340 -10.212 13.637 1.00 4.45 C ATOM 600 CD GLU A 39 -4.794 -10.525 13.306 1.00 22.13 C ATOM 601 OE1 GLU A 39 -5.194 -10.360 12.134 1.00 5.42 O ATOM 602 OE2 GLU A 39 -5.543 -10.954 14.214 1.00 62.01 O1- ATOM 0 H GLU A 39 -1.036 -8.992 12.581 1.00 2.52 H new ATOM 0 HA GLU A 39 -0.836 -11.149 14.392 1.00 54.43 H new ATOM 0 HB2 GLU A 39 -2.428 -10.869 11.811 1.00 75.51 H new ATOM 0 HB3 GLU A 39 -2.667 -12.143 12.992 1.00 75.51 H new ATOM 0 HG2 GLU A 39 -3.180 -10.336 14.708 1.00 4.45 H new ATOM 0 HG3 GLU A 39 -3.134 -9.168 13.403 1.00 4.45 H new ATOM 609 N LYS A 40 0.444 -11.648 11.392 1.00 53.13 N ATOM 610 CA LYS A 40 1.283 -12.550 10.588 1.00 61.21 C ATOM 611 C LYS A 40 2.781 -12.250 10.763 1.00 43.11 C ATOM 612 O LYS A 40 3.631 -13.103 10.489 1.00 55.11 O ATOM 613 CB LYS A 40 0.901 -12.441 9.105 1.00 45.13 C ATOM 614 CG LYS A 40 -0.556 -12.803 8.818 1.00 73.14 C ATOM 615 CD LYS A 40 -0.870 -12.774 7.323 1.00 3.42 C ATOM 616 CE LYS A 40 -0.671 -11.388 6.718 1.00 74.52 C ATOM 617 NZ LYS A 40 -0.973 -11.373 5.264 1.00 34.22 N1+ ATOM 0 H LYS A 40 0.268 -10.742 10.959 1.00 53.13 H new ATOM 0 HA LYS A 40 1.104 -13.566 10.941 1.00 61.21 H new ATOM 0 HB2 LYS A 40 1.087 -11.422 8.765 1.00 45.13 H new ATOM 0 HB3 LYS A 40 1.550 -13.095 8.523 1.00 45.13 H new ATOM 0 HG2 LYS A 40 -0.767 -13.797 9.213 1.00 73.14 H new ATOM 0 HG3 LYS A 40 -1.212 -12.106 9.340 1.00 73.14 H new ATOM 0 HD2 LYS A 40 -0.231 -13.489 6.806 1.00 3.42 H new ATOM 0 HD3 LYS A 40 -1.900 -13.093 7.164 1.00 3.42 H new ATOM 0 HE2 LYS A 40 -1.314 -10.672 7.230 1.00 74.52 H new ATOM 0 HE3 LYS A 40 0.358 -11.065 6.879 1.00 74.52 H new ATOM 0 HZ1 LYS A 40 -0.826 -10.414 4.889 1.00 34.22 H new ATOM 0 HZ2 LYS A 40 -0.343 -12.038 4.772 1.00 34.22 H new ATOM 0 HZ3 LYS A 40 -1.962 -11.657 5.112 1.00 34.22 H new ATOM 631 N TYR A 41 3.105 -11.042 11.219 1.00 14.44 N ATOM 632 CA TYR A 41 4.501 -10.639 11.437 1.00 64.31 C ATOM 633 C TYR A 41 4.662 -9.874 12.761 1.00 11.24 C ATOM 634 O TYR A 41 4.539 -8.648 12.798 1.00 52.12 O ATOM 635 CB TYR A 41 5.010 -9.772 10.269 1.00 13.30 C ATOM 636 CG TYR A 41 5.170 -10.522 8.957 1.00 10.24 C ATOM 637 CD1 TYR A 41 6.390 -11.094 8.607 1.00 44.14 C ATOM 638 CD2 TYR A 41 4.107 -10.653 8.069 1.00 22.44 C ATOM 639 CE1 TYR A 41 6.545 -11.770 7.413 1.00 11.04 C ATOM 640 CE2 TYR A 41 4.254 -11.331 6.874 1.00 21.04 C ATOM 641 CZ TYR A 41 5.476 -11.888 6.551 1.00 2.44 C ATOM 642 OH TYR A 41 5.627 -12.561 5.359 1.00 71.41 O ATOM 0 H TYR A 41 2.421 -10.320 11.447 1.00 14.44 H new ATOM 0 HA TYR A 41 5.098 -11.550 11.489 1.00 64.31 H new ATOM 0 HB2 TYR A 41 4.318 -8.944 10.118 1.00 13.30 H new ATOM 0 HB3 TYR A 41 5.971 -9.338 10.546 1.00 13.30 H new ATOM 0 HD1 TYR A 41 7.230 -11.008 9.281 1.00 44.14 H new ATOM 0 HD2 TYR A 41 3.151 -10.217 8.318 1.00 22.44 H new ATOM 0 HE1 TYR A 41 7.500 -12.204 7.156 1.00 11.04 H new ATOM 0 HE2 TYR A 41 3.418 -11.425 6.196 1.00 21.04 H new ATOM 0 HH TYR A 41 4.778 -12.554 4.869 1.00 71.41 H new ATOM 652 N PRO A 42 4.902 -10.590 13.877 1.00 24.43 N ATOM 653 CA PRO A 42 5.161 -9.957 15.181 1.00 72.44 C ATOM 654 C PRO A 42 6.458 -9.128 15.185 1.00 23.43 C ATOM 655 O PRO A 42 7.418 -9.445 14.477 1.00 24.44 O ATOM 656 CB PRO A 42 5.266 -11.146 16.157 1.00 73.11 C ATOM 657 CG PRO A 42 4.648 -12.301 15.432 1.00 51.03 C ATOM 658 CD PRO A 42 4.914 -12.060 13.971 1.00 54.04 C ATOM 0 HA PRO A 42 4.376 -9.249 15.448 1.00 72.44 H new ATOM 0 HB2 PRO A 42 6.304 -11.353 16.416 1.00 73.11 H new ATOM 0 HB3 PRO A 42 4.740 -10.939 17.089 1.00 73.11 H new ATOM 0 HG2 PRO A 42 5.084 -13.245 15.758 1.00 51.03 H new ATOM 0 HG3 PRO A 42 3.578 -12.359 15.630 1.00 51.03 H new ATOM 0 HD2 PRO A 42 5.871 -12.478 13.660 1.00 54.04 H new ATOM 0 HD3 PRO A 42 4.149 -12.512 13.340 1.00 54.04 H new ATOM 666 N ILE A 43 6.480 -8.067 15.988 1.00 12.50 N ATOM 667 CA ILE A 43 7.628 -7.159 16.050 1.00 41.52 C ATOM 668 C ILE A 43 8.793 -7.763 16.858 1.00 15.14 C ATOM 669 O ILE A 43 8.583 -8.463 17.847 1.00 32.01 O ATOM 670 CB ILE A 43 7.202 -5.796 16.649 1.00 52.14 C ATOM 671 CG1 ILE A 43 6.110 -5.168 15.763 1.00 44.22 C ATOM 672 CG2 ILE A 43 8.400 -4.856 16.792 1.00 44.24 C ATOM 673 CD1 ILE A 43 5.570 -3.850 16.275 1.00 42.54 C ATOM 0 H ILE A 43 5.712 -7.812 16.609 1.00 12.50 H new ATOM 0 HA ILE A 43 7.983 -7.005 15.031 1.00 41.52 H new ATOM 0 HB ILE A 43 6.800 -5.960 17.649 1.00 52.14 H new ATOM 0 HG12 ILE A 43 6.514 -5.017 14.762 1.00 44.22 H new ATOM 0 HG13 ILE A 43 5.284 -5.873 15.670 1.00 44.22 H new ATOM 0 HG21 ILE A 43 8.070 -3.907 17.215 1.00 44.24 H new ATOM 0 HG22 ILE A 43 9.141 -5.309 17.451 1.00 44.24 H new ATOM 0 HG23 ILE A 43 8.844 -4.681 15.812 1.00 44.24 H new ATOM 0 HD11 ILE A 43 4.807 -3.479 15.591 1.00 42.54 H new ATOM 0 HD12 ILE A 43 5.133 -3.995 17.263 1.00 42.54 H new ATOM 0 HD13 ILE A 43 6.381 -3.125 16.340 1.00 42.54 H new ATOM 685 N THR A 44 10.022 -7.479 16.426 1.00 51.11 N ATOM 686 CA THR A 44 11.220 -8.073 17.035 1.00 73.55 C ATOM 687 C THR A 44 11.509 -7.498 18.436 1.00 32.54 C ATOM 688 O THR A 44 11.121 -6.374 18.755 1.00 64.22 O ATOM 689 CB THR A 44 12.454 -7.847 16.120 1.00 72.20 C ATOM 690 OG1 THR A 44 12.194 -8.376 14.814 1.00 51.52 O ATOM 691 CG2 THR A 44 13.717 -8.498 16.677 1.00 41.20 C ATOM 0 H THR A 44 10.218 -6.840 15.655 1.00 51.11 H new ATOM 0 HA THR A 44 11.027 -9.140 17.145 1.00 73.55 H new ATOM 0 HB THR A 44 12.624 -6.771 16.071 1.00 72.20 H new ATOM 0 HG1 THR A 44 12.975 -8.229 14.240 1.00 51.52 H new ATOM 0 HG21 THR A 44 14.551 -8.311 16.001 1.00 41.20 H new ATOM 0 HG22 THR A 44 13.942 -8.076 17.656 1.00 41.20 H new ATOM 0 HG23 THR A 44 13.561 -9.573 16.772 1.00 41.20 H new ATOM 699 N LYS A 45 12.236 -8.270 19.245 1.00 53.51 N ATOM 700 CA LYS A 45 12.544 -7.901 20.633 1.00 31.32 C ATOM 701 C LYS A 45 13.493 -6.690 20.718 1.00 62.12 C ATOM 702 O LYS A 45 13.253 -5.754 21.485 1.00 1.24 O ATOM 703 CB LYS A 45 13.152 -9.127 21.335 1.00 24.12 C ATOM 704 CG LYS A 45 13.859 -8.838 22.654 1.00 31.34 C ATOM 705 CD LYS A 45 14.389 -10.126 23.286 1.00 71.34 C ATOM 706 CE LYS A 45 15.388 -9.844 24.398 1.00 44.00 C ATOM 707 NZ LYS A 45 16.583 -9.119 23.891 1.00 30.20 N1+ ATOM 0 H LYS A 45 12.628 -9.167 18.960 1.00 53.51 H new ATOM 0 HA LYS A 45 11.623 -7.599 21.131 1.00 31.32 H new ATOM 0 HB2 LYS A 45 12.358 -9.851 21.518 1.00 24.12 H new ATOM 0 HB3 LYS A 45 13.863 -9.598 20.656 1.00 24.12 H new ATOM 0 HG2 LYS A 45 14.684 -8.146 22.484 1.00 31.34 H new ATOM 0 HG3 LYS A 45 13.169 -8.349 23.341 1.00 31.34 H new ATOM 0 HD2 LYS A 45 13.555 -10.704 23.685 1.00 71.34 H new ATOM 0 HD3 LYS A 45 14.863 -10.738 22.519 1.00 71.34 H new ATOM 0 HE2 LYS A 45 14.908 -9.253 25.178 1.00 44.00 H new ATOM 0 HE3 LYS A 45 15.699 -10.783 24.855 1.00 44.00 H new ATOM 0 HZ1 LYS A 45 17.445 -9.592 24.229 1.00 30.20 H new ATOM 0 HZ2 LYS A 45 16.573 -9.119 22.851 1.00 30.20 H new ATOM 0 HZ3 LYS A 45 16.567 -8.139 24.238 1.00 30.20 H new ATOM 721 N GLU A 46 14.559 -6.704 19.923 1.00 50.41 N ATOM 722 CA GLU A 46 15.499 -5.575 19.881 1.00 2.10 C ATOM 723 C GLU A 46 14.845 -4.331 19.266 1.00 13.14 C ATOM 724 O GLU A 46 14.973 -3.220 19.788 1.00 21.31 O ATOM 725 CB GLU A 46 16.765 -5.945 19.092 1.00 33.30 C ATOM 726 CG GLU A 46 17.648 -6.994 19.767 1.00 61.34 C ATOM 727 CD GLU A 46 16.957 -8.336 19.948 1.00 73.32 C ATOM 728 OE1 GLU A 46 16.531 -8.928 18.931 1.00 64.43 O ATOM 729 OE2 GLU A 46 16.844 -8.806 21.100 1.00 14.22 O1- ATOM 0 H GLU A 46 14.797 -7.476 19.301 1.00 50.41 H new ATOM 0 HA GLU A 46 15.780 -5.345 20.909 1.00 2.10 H new ATOM 0 HB2 GLU A 46 16.471 -6.314 18.109 1.00 33.30 H new ATOM 0 HB3 GLU A 46 17.354 -5.042 18.930 1.00 33.30 H new ATOM 0 HG2 GLU A 46 18.551 -7.135 19.173 1.00 61.34 H new ATOM 0 HG3 GLU A 46 17.963 -6.621 20.742 1.00 61.34 H new ATOM 736 N ALA A 47 14.136 -4.530 18.157 1.00 22.43 N ATOM 737 CA ALA A 47 13.455 -3.435 17.460 1.00 23.43 C ATOM 738 C ALA A 47 12.442 -2.724 18.366 1.00 32.13 C ATOM 739 O ALA A 47 12.271 -1.507 18.281 1.00 74.42 O ATOM 740 CB ALA A 47 12.762 -3.962 16.214 1.00 74.14 C ATOM 0 H ALA A 47 14.016 -5.443 17.718 1.00 22.43 H new ATOM 0 HA ALA A 47 14.211 -2.704 17.174 1.00 23.43 H new ATOM 0 HB1 ALA A 47 12.259 -3.141 15.703 1.00 74.14 H new ATOM 0 HB2 ALA A 47 13.501 -4.406 15.547 1.00 74.14 H new ATOM 0 HB3 ALA A 47 12.029 -4.717 16.497 1.00 74.14 H new ATOM 746 N LEU A 48 11.780 -3.490 19.236 1.00 54.45 N ATOM 747 CA LEU A 48 10.795 -2.934 20.170 1.00 13.11 C ATOM 748 C LEU A 48 11.443 -1.877 21.079 1.00 73.34 C ATOM 749 O LEU A 48 10.896 -0.791 21.277 1.00 51.21 O ATOM 750 CB LEU A 48 10.181 -4.080 21.006 1.00 53.03 C ATOM 751 CG LEU A 48 8.985 -3.719 21.923 1.00 74.32 C ATOM 752 CD1 LEU A 48 8.197 -4.975 22.293 1.00 15.34 C ATOM 753 CD2 LEU A 48 9.444 -3.002 23.196 1.00 63.24 C ATOM 0 H LEU A 48 11.908 -4.499 19.314 1.00 54.45 H new ATOM 0 HA LEU A 48 10.003 -2.441 19.606 1.00 13.11 H new ATOM 0 HB2 LEU A 48 9.858 -4.864 20.321 1.00 53.03 H new ATOM 0 HB3 LEU A 48 10.969 -4.505 21.628 1.00 53.03 H new ATOM 0 HG LEU A 48 8.341 -3.039 21.365 1.00 74.32 H new ATOM 0 HD11 LEU A 48 7.361 -4.703 22.937 1.00 15.34 H new ATOM 0 HD12 LEU A 48 7.818 -5.447 21.386 1.00 15.34 H new ATOM 0 HD13 LEU A 48 8.849 -5.672 22.820 1.00 15.34 H new ATOM 0 HD21 LEU A 48 8.577 -2.765 23.813 1.00 63.24 H new ATOM 0 HD22 LEU A 48 10.121 -3.649 23.754 1.00 63.24 H new ATOM 0 HD23 LEU A 48 9.961 -2.081 22.928 1.00 63.24 H new ATOM 765 N GLU A 49 12.620 -2.201 21.608 1.00 20.40 N ATOM 766 CA GLU A 49 13.364 -1.290 22.486 1.00 23.30 C ATOM 767 C GLU A 49 13.945 -0.092 21.718 1.00 14.23 C ATOM 768 O GLU A 49 13.870 1.049 22.181 1.00 31.41 O ATOM 769 CB GLU A 49 14.484 -2.059 23.204 1.00 3.12 C ATOM 770 CG GLU A 49 13.971 -3.104 24.193 1.00 10.13 C ATOM 771 CD GLU A 49 13.412 -2.487 25.469 1.00 31.32 C ATOM 772 OE1 GLU A 49 14.113 -2.528 26.508 1.00 20.10 O ATOM 773 OE2 GLU A 49 12.290 -1.941 25.437 1.00 74.33 O1- ATOM 0 H GLU A 49 13.085 -3.094 21.445 1.00 20.40 H new ATOM 0 HA GLU A 49 12.665 -0.892 23.221 1.00 23.30 H new ATOM 0 HB2 GLU A 49 15.110 -2.552 22.460 1.00 3.12 H new ATOM 0 HB3 GLU A 49 15.118 -1.349 23.735 1.00 3.12 H new ATOM 0 HG2 GLU A 49 13.195 -3.701 23.714 1.00 10.13 H new ATOM 0 HG3 GLU A 49 14.783 -3.784 24.450 1.00 10.13 H new ATOM 780 N GLU A 50 14.517 -0.353 20.544 1.00 34.14 N ATOM 781 CA GLU A 50 15.153 0.698 19.738 1.00 62.24 C ATOM 782 C GLU A 50 14.136 1.740 19.232 1.00 53.54 C ATOM 783 O GLU A 50 14.303 2.941 19.449 1.00 24.42 O ATOM 784 CB GLU A 50 15.895 0.075 18.546 1.00 54.14 C ATOM 785 CG GLU A 50 16.573 1.102 17.643 1.00 25.32 C ATOM 786 CD GLU A 50 17.354 0.468 16.502 1.00 1.23 C ATOM 787 OE1 GLU A 50 18.559 0.188 16.683 1.00 31.33 O ATOM 788 OE2 GLU A 50 16.766 0.246 15.423 1.00 51.32 O1- ATOM 0 H GLU A 50 14.555 -1.283 20.126 1.00 34.14 H new ATOM 0 HA GLU A 50 15.862 1.215 20.384 1.00 62.24 H new ATOM 0 HB2 GLU A 50 16.647 -0.620 18.920 1.00 54.14 H new ATOM 0 HB3 GLU A 50 15.189 -0.507 17.954 1.00 54.14 H new ATOM 0 HG2 GLU A 50 15.817 1.770 17.231 1.00 25.32 H new ATOM 0 HG3 GLU A 50 17.248 1.714 18.241 1.00 25.32 H new ATOM 795 N THR A 51 13.078 1.273 18.568 1.00 24.42 N ATOM 796 CA THR A 51 12.078 2.174 17.964 1.00 4.21 C ATOM 797 C THR A 51 10.830 2.357 18.852 1.00 31.01 C ATOM 798 O THR A 51 9.834 2.938 18.421 1.00 22.02 O ATOM 799 CB THR A 51 11.665 1.700 16.545 1.00 2.32 C ATOM 800 OG1 THR A 51 11.281 0.323 16.565 1.00 75.42 O ATOM 801 CG2 THR A 51 12.806 1.891 15.549 1.00 12.00 C ATOM 0 H THR A 51 12.886 0.281 18.431 1.00 24.42 H new ATOM 0 HA THR A 51 12.563 3.147 17.878 1.00 4.21 H new ATOM 0 HB THR A 51 10.816 2.307 16.231 1.00 2.32 H new ATOM 0 HG1 THR A 51 11.607 -0.096 17.389 1.00 75.42 H new ATOM 0 HG21 THR A 51 12.489 1.551 14.563 1.00 12.00 H new ATOM 0 HG22 THR A 51 13.073 2.947 15.500 1.00 12.00 H new ATOM 0 HG23 THR A 51 13.671 1.312 15.872 1.00 12.00 H new ATOM 809 N ARG A 52 10.896 1.848 20.087 1.00 44.44 N ATOM 810 CA ARG A 52 9.915 2.169 21.145 1.00 20.41 C ATOM 811 C ARG A 52 8.496 1.610 20.875 1.00 44.43 C ATOM 812 O ARG A 52 7.492 2.274 21.147 1.00 25.23 O ATOM 813 CB ARG A 52 9.853 3.695 21.356 1.00 72.11 C ATOM 814 CG ARG A 52 9.273 4.105 22.707 1.00 52.23 C ATOM 815 CD ARG A 52 9.214 5.620 22.872 1.00 65.30 C ATOM 816 NE ARG A 52 8.951 6.000 24.259 1.00 53.31 N ATOM 817 CZ ARG A 52 8.208 7.008 24.620 1.00 20.30 C ATOM 818 NH1 ARG A 52 7.589 7.730 23.739 1.00 43.34 N1+ ATOM 819 NH2 ARG A 52 8.080 7.296 25.875 1.00 54.35 N ATOM 0 H ARG A 52 11.627 1.203 20.387 1.00 44.44 H new ATOM 0 HA ARG A 52 10.267 1.674 22.050 1.00 20.41 H new ATOM 0 HB2 ARG A 52 10.858 4.107 21.262 1.00 72.11 H new ATOM 0 HB3 ARG A 52 9.251 4.138 20.563 1.00 72.11 H new ATOM 0 HG2 ARG A 52 8.270 3.690 22.811 1.00 52.23 H new ATOM 0 HG3 ARG A 52 9.879 3.677 23.506 1.00 52.23 H new ATOM 0 HD2 ARG A 52 10.157 6.059 22.546 1.00 65.30 H new ATOM 0 HD3 ARG A 52 8.434 6.027 22.228 1.00 65.30 H new ATOM 0 HE ARG A 52 9.378 5.438 24.995 1.00 53.31 H new ATOM 0 HH11 ARG A 52 7.680 7.512 22.747 1.00 43.34 H new ATOM 0 HH12 ARG A 52 7.011 8.516 24.038 1.00 43.34 H new ATOM 0 HH21 ARG A 52 8.560 6.735 26.579 1.00 54.35 H new ATOM 0 HH22 ARG A 52 7.499 8.084 26.161 1.00 54.35 H new ATOM 833 N LEU A 53 8.404 0.376 20.380 1.00 64.53 N ATOM 834 CA LEU A 53 7.093 -0.258 20.149 1.00 42.05 C ATOM 835 C LEU A 53 6.346 -0.546 21.465 1.00 31.33 C ATOM 836 O LEU A 53 5.162 -0.887 21.447 1.00 55.25 O ATOM 837 CB LEU A 53 7.226 -1.556 19.333 1.00 4.43 C ATOM 838 CG LEU A 53 7.550 -1.374 17.841 1.00 14.30 C ATOM 839 CD1 LEU A 53 6.556 -0.424 17.175 1.00 54.23 C ATOM 840 CD2 LEU A 53 8.978 -0.889 17.650 1.00 33.44 C ATOM 0 H LEU A 53 9.206 -0.203 20.132 1.00 64.53 H new ATOM 0 HA LEU A 53 6.507 0.459 19.575 1.00 42.05 H new ATOM 0 HB2 LEU A 53 8.007 -2.169 19.784 1.00 4.43 H new ATOM 0 HB3 LEU A 53 6.294 -2.114 19.418 1.00 4.43 H new ATOM 0 HG LEU A 53 7.458 -2.347 17.358 1.00 14.30 H new ATOM 0 HD11 LEU A 53 6.809 -0.314 16.121 1.00 54.23 H new ATOM 0 HD12 LEU A 53 5.548 -0.829 17.266 1.00 54.23 H new ATOM 0 HD13 LEU A 53 6.601 0.550 17.663 1.00 54.23 H new ATOM 0 HD21 LEU A 53 9.182 -0.768 16.586 1.00 33.44 H new ATOM 0 HD22 LEU A 53 9.108 0.068 18.155 1.00 33.44 H new ATOM 0 HD23 LEU A 53 9.669 -1.619 18.071 1.00 33.44 H new ATOM 852 N GLY A 54 7.032 -0.410 22.601 1.00 25.32 N ATOM 853 CA GLY A 54 6.362 -0.545 23.893 1.00 43.32 C ATOM 854 C GLY A 54 5.251 0.487 24.074 1.00 75.33 C ATOM 855 O GLY A 54 4.212 0.203 24.675 1.00 41.50 O ATOM 0 H GLY A 54 8.031 -0.211 22.653 1.00 25.32 H new ATOM 0 HA2 GLY A 54 5.943 -1.547 23.981 1.00 43.32 H new ATOM 0 HA3 GLY A 54 7.093 -0.434 24.694 1.00 43.32 H new ATOM 859 N LYS A 55 5.465 1.682 23.517 1.00 52.41 N ATOM 860 CA LYS A 55 4.425 2.715 23.452 1.00 1.33 C ATOM 861 C LYS A 55 3.193 2.188 22.699 1.00 54.54 C ATOM 862 O LYS A 55 2.058 2.413 23.112 1.00 74.43 O ATOM 863 CB LYS A 55 4.987 3.977 22.763 1.00 30.12 C ATOM 864 CG LYS A 55 3.932 4.957 22.241 1.00 62.22 C ATOM 865 CD LYS A 55 3.046 5.528 23.350 1.00 71.51 C ATOM 866 CE LYS A 55 2.000 6.488 22.783 1.00 31.53 C ATOM 867 NZ LYS A 55 1.051 6.981 23.820 1.00 32.12 N1+ ATOM 0 H LYS A 55 6.354 1.960 23.102 1.00 52.41 H new ATOM 0 HA LYS A 55 4.117 2.975 24.465 1.00 1.33 H new ATOM 0 HB2 LYS A 55 5.630 4.502 23.470 1.00 30.12 H new ATOM 0 HB3 LYS A 55 5.616 3.667 21.929 1.00 30.12 H new ATOM 0 HG2 LYS A 55 4.430 5.777 21.723 1.00 62.22 H new ATOM 0 HG3 LYS A 55 3.305 4.451 21.507 1.00 62.22 H new ATOM 0 HD2 LYS A 55 2.548 4.714 23.877 1.00 71.51 H new ATOM 0 HD3 LYS A 55 3.664 6.050 24.081 1.00 71.51 H new ATOM 0 HE2 LYS A 55 2.504 7.338 22.324 1.00 31.53 H new ATOM 0 HE3 LYS A 55 1.441 5.985 21.994 1.00 31.53 H new ATOM 0 HZ1 LYS A 55 0.323 7.573 23.371 1.00 32.12 H new ATOM 0 HZ2 LYS A 55 0.597 6.171 24.289 1.00 32.12 H new ATOM 0 HZ3 LYS A 55 1.569 7.543 24.525 1.00 32.12 H new ATOM 881 N LEU A 56 3.432 1.466 21.605 1.00 50.22 N ATOM 882 CA LEU A 56 2.351 0.860 20.820 1.00 20.45 C ATOM 883 C LEU A 56 1.572 -0.162 21.670 1.00 21.01 C ATOM 884 O LEU A 56 0.348 -0.232 21.597 1.00 1.32 O ATOM 885 CB LEU A 56 2.938 0.203 19.549 1.00 42.22 C ATOM 886 CG LEU A 56 1.929 -0.270 18.474 1.00 33.21 C ATOM 887 CD1 LEU A 56 2.626 -0.420 17.121 1.00 24.43 C ATOM 888 CD2 LEU A 56 1.270 -1.594 18.865 1.00 20.21 C ATOM 0 H LEU A 56 4.367 1.285 21.239 1.00 50.22 H new ATOM 0 HA LEU A 56 1.649 1.636 20.515 1.00 20.45 H new ATOM 0 HB2 LEU A 56 3.620 0.914 19.084 1.00 42.22 H new ATOM 0 HB3 LEU A 56 3.534 -0.656 19.856 1.00 42.22 H new ATOM 0 HG LEU A 56 1.149 0.488 18.399 1.00 33.21 H new ATOM 0 HD11 LEU A 56 1.904 -0.753 16.375 1.00 24.43 H new ATOM 0 HD12 LEU A 56 3.044 0.540 16.818 1.00 24.43 H new ATOM 0 HD13 LEU A 56 3.427 -1.154 17.204 1.00 24.43 H new ATOM 0 HD21 LEU A 56 0.568 -1.895 18.087 1.00 20.21 H new ATOM 0 HD22 LEU A 56 2.035 -2.361 18.980 1.00 20.21 H new ATOM 0 HD23 LEU A 56 0.736 -1.470 19.807 1.00 20.21 H new ATOM 900 N ILE A 57 2.291 -0.924 22.499 1.00 54.44 N ATOM 901 CA ILE A 57 1.671 -1.948 23.355 1.00 73.24 C ATOM 902 C ILE A 57 0.627 -1.338 24.308 1.00 15.03 C ATOM 903 O ILE A 57 -0.485 -1.850 24.444 1.00 3.14 O ATOM 904 CB ILE A 57 2.750 -2.685 24.194 1.00 51.04 C ATOM 905 CG1 ILE A 57 3.740 -3.417 23.273 1.00 43.41 C ATOM 906 CG2 ILE A 57 2.112 -3.660 25.184 1.00 32.41 C ATOM 907 CD1 ILE A 57 4.856 -4.128 24.012 1.00 75.12 C ATOM 0 H ILE A 57 3.304 -0.854 22.598 1.00 54.44 H new ATOM 0 HA ILE A 57 1.170 -2.655 22.694 1.00 73.24 H new ATOM 0 HB ILE A 57 3.297 -1.938 24.769 1.00 51.04 H new ATOM 0 HG12 ILE A 57 3.193 -4.145 22.674 1.00 43.41 H new ATOM 0 HG13 ILE A 57 4.177 -2.697 22.581 1.00 43.41 H new ATOM 0 HG21 ILE A 57 2.893 -4.160 25.756 1.00 32.41 H new ATOM 0 HG22 ILE A 57 1.458 -3.113 25.863 1.00 32.41 H new ATOM 0 HG23 ILE A 57 1.529 -4.403 24.639 1.00 32.41 H new ATOM 0 HD11 ILE A 57 5.512 -4.620 23.294 1.00 75.12 H new ATOM 0 HD12 ILE A 57 5.429 -3.403 24.590 1.00 75.12 H new ATOM 0 HD13 ILE A 57 4.430 -4.873 24.684 1.00 75.12 H new ATOM 919 N ASN A 58 0.994 -0.243 24.962 1.00 62.31 N ATOM 920 CA ASN A 58 0.074 0.468 25.855 1.00 52.45 C ATOM 921 C ASN A 58 -1.009 1.216 25.065 1.00 42.12 C ATOM 922 O ASN A 58 -2.199 1.147 25.381 1.00 54.25 O ATOM 923 CB ASN A 58 0.841 1.472 26.721 1.00 4.10 C ATOM 924 CG ASN A 58 1.994 0.842 27.477 1.00 12.21 C ATOM 925 OD1 ASN A 58 1.966 -0.334 27.826 1.00 12.53 O ATOM 926 ND2 ASN A 58 3.014 1.626 27.747 1.00 74.11 N ATOM 0 H ASN A 58 1.922 0.176 24.894 1.00 62.31 H new ATOM 0 HA ASN A 58 -0.406 -0.278 26.488 1.00 52.45 H new ATOM 0 HB2 ASN A 58 1.223 2.272 26.088 1.00 4.10 H new ATOM 0 HB3 ASN A 58 0.154 1.929 27.433 1.00 4.10 H new ATOM 0 HD21 ASN A 58 3.815 1.261 28.262 1.00 74.11 H new ATOM 0 HD22 ASN A 58 3.004 2.599 27.442 1.00 74.11 H new ATOM 933 N ASP A 59 -0.572 1.932 24.034 1.00 23.41 N ATOM 934 CA ASP A 59 -1.421 2.886 23.321 1.00 15.43 C ATOM 935 C ASP A 59 -2.516 2.199 22.472 1.00 43.23 C ATOM 936 O ASP A 59 -3.638 2.707 22.370 1.00 13.03 O ATOM 937 CB ASP A 59 -0.542 3.787 22.446 1.00 71.25 C ATOM 938 CG ASP A 59 -1.194 5.118 22.128 1.00 62.45 C ATOM 939 OD1 ASP A 59 -1.915 5.656 22.998 1.00 15.15 O ATOM 940 OD2 ASP A 59 -0.958 5.654 21.030 1.00 30.15 O1- ATOM 0 H ASP A 59 0.378 1.869 23.668 1.00 23.41 H new ATOM 0 HA ASP A 59 -1.946 3.485 24.065 1.00 15.43 H new ATOM 0 HB2 ASP A 59 0.406 3.965 22.954 1.00 71.25 H new ATOM 0 HB3 ASP A 59 -0.313 3.269 21.515 1.00 71.25 H new ATOM 945 N VAL A 60 -2.191 1.049 21.871 1.00 13.14 N ATOM 946 CA VAL A 60 -3.130 0.333 20.994 1.00 31.22 C ATOM 947 C VAL A 60 -4.420 -0.047 21.736 1.00 71.13 C ATOM 948 O VAL A 60 -5.493 -0.109 21.139 1.00 34.40 O ATOM 949 CB VAL A 60 -2.486 -0.946 20.385 1.00 62.41 C ATOM 950 CG1 VAL A 60 -2.168 -1.980 21.466 1.00 73.12 C ATOM 951 CG2 VAL A 60 -3.383 -1.549 19.303 1.00 13.31 C ATOM 0 H VAL A 60 -1.285 0.592 21.975 1.00 13.14 H new ATOM 0 HA VAL A 60 -3.380 1.019 20.184 1.00 31.22 H new ATOM 0 HB VAL A 60 -1.545 -0.651 19.921 1.00 62.41 H new ATOM 0 HG11 VAL A 60 -1.719 -2.861 21.006 1.00 73.12 H new ATOM 0 HG12 VAL A 60 -1.471 -1.551 22.186 1.00 73.12 H new ATOM 0 HG13 VAL A 60 -3.087 -2.266 21.977 1.00 73.12 H new ATOM 0 HG21 VAL A 60 -2.910 -2.442 18.894 1.00 13.31 H new ATOM 0 HG22 VAL A 60 -4.347 -1.816 19.736 1.00 13.31 H new ATOM 0 HG23 VAL A 60 -3.533 -0.820 18.507 1.00 13.31 H new ATOM 961 N ARG A 61 -4.315 -0.273 23.044 1.00 43.51 N ATOM 962 CA ARG A 61 -5.490 -0.568 23.873 1.00 23.25 C ATOM 963 C ARG A 61 -6.526 0.566 23.781 1.00 43.31 C ATOM 964 O ARG A 61 -7.731 0.332 23.854 1.00 14.24 O ATOM 965 CB ARG A 61 -5.065 -0.786 25.333 1.00 45.31 C ATOM 966 CG ARG A 61 -6.223 -1.100 26.281 1.00 1.00 C ATOM 967 CD ARG A 61 -5.736 -1.304 27.711 1.00 14.12 C ATOM 968 NE ARG A 61 -4.985 -0.148 28.195 1.00 44.24 N ATOM 969 CZ ARG A 61 -4.076 -0.192 29.129 1.00 35.44 C ATOM 970 NH1 ARG A 61 -3.788 -1.302 29.727 1.00 53.02 N1+ ATOM 971 NH2 ARG A 61 -3.453 0.887 29.461 1.00 62.41 N ATOM 0 H ARG A 61 -3.432 -0.258 23.555 1.00 43.51 H new ATOM 0 HA ARG A 61 -5.953 -1.481 23.499 1.00 23.25 H new ATOM 0 HB2 ARG A 61 -4.346 -1.604 25.372 1.00 45.31 H new ATOM 0 HB3 ARG A 61 -4.551 0.108 25.688 1.00 45.31 H new ATOM 0 HG2 ARG A 61 -6.947 -0.285 26.255 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -6.740 -1.997 25.940 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -6.590 -1.483 28.364 1.00 14.12 H new ATOM 0 HD3 ARG A 61 -5.107 -2.193 27.758 1.00 14.12 H new ATOM 0 HE ARG A 61 -5.186 0.758 27.772 1.00 44.24 H new ATOM 0 HH11 ARG A 61 -4.275 -2.161 29.470 1.00 53.02 H new ATOM 0 HH12 ARG A 61 -3.074 -1.319 30.455 1.00 53.02 H new ATOM 0 HH21 ARG A 61 -3.672 1.767 28.994 1.00 62.41 H new ATOM 0 HH22 ARG A 61 -2.741 0.861 30.191 1.00 62.41 H new ATOM 985 N LYS A 62 -6.042 1.799 23.629 1.00 42.53 N ATOM 986 CA LYS A 62 -6.914 2.962 23.431 1.00 42.11 C ATOM 987 C LYS A 62 -7.220 3.180 21.937 1.00 4.33 C ATOM 988 O LYS A 62 -8.321 3.590 21.567 1.00 10.35 O ATOM 989 CB LYS A 62 -6.247 4.222 24.006 1.00 33.42 C ATOM 990 CG LYS A 62 -5.866 4.112 25.480 1.00 61.22 C ATOM 991 CD LYS A 62 -7.084 4.004 26.393 1.00 31.44 C ATOM 992 CE LYS A 62 -7.912 5.285 26.400 1.00 42.51 C ATOM 993 NZ LYS A 62 -9.029 5.210 27.376 1.00 53.21 N1+ ATOM 0 H LYS A 62 -5.046 2.021 23.639 1.00 42.53 H new ATOM 0 HA LYS A 62 -7.852 2.772 23.952 1.00 42.11 H new ATOM 0 HB2 LYS A 62 -5.351 4.441 23.426 1.00 33.42 H new ATOM 0 HB3 LYS A 62 -6.923 5.067 23.879 1.00 33.42 H new ATOM 0 HG2 LYS A 62 -5.230 3.238 25.623 1.00 61.22 H new ATOM 0 HG3 LYS A 62 -5.278 4.984 25.766 1.00 61.22 H new ATOM 0 HD2 LYS A 62 -7.708 3.172 26.067 1.00 31.44 H new ATOM 0 HD3 LYS A 62 -6.757 3.779 27.408 1.00 31.44 H new ATOM 0 HE2 LYS A 62 -7.271 6.132 26.645 1.00 42.51 H new ATOM 0 HE3 LYS A 62 -8.312 5.466 25.402 1.00 42.51 H new ATOM 0 HZ1 LYS A 62 -9.570 6.098 27.353 1.00 53.21 H new ATOM 0 HZ2 LYS A 62 -9.654 4.417 27.128 1.00 53.21 H new ATOM 0 HZ3 LYS A 62 -8.646 5.062 28.332 1.00 53.21 H new ATOM 1007 N LYS A 63 -6.233 2.889 21.085 1.00 11.02 N ATOM 1008 CA LYS A 63 -6.345 3.126 19.634 1.00 62.13 C ATOM 1009 C LYS A 63 -7.104 2.008 18.905 1.00 51.11 C ATOM 1010 O LYS A 63 -7.421 2.143 17.723 1.00 73.33 O ATOM 1011 CB LYS A 63 -4.945 3.285 19.002 1.00 52.33 C ATOM 1012 CG LYS A 63 -4.527 4.729 18.709 1.00 75.13 C ATOM 1013 CD LYS A 63 -3.929 5.456 19.914 1.00 35.30 C ATOM 1014 CE LYS A 63 -4.951 5.773 20.998 1.00 10.42 C ATOM 1015 NZ LYS A 63 -4.359 6.594 22.086 1.00 72.14 N1+ ATOM 0 H LYS A 63 -5.341 2.487 21.372 1.00 11.02 H new ATOM 0 HA LYS A 63 -6.917 4.047 19.517 1.00 62.13 H new ATOM 0 HB2 LYS A 63 -4.209 2.838 19.670 1.00 52.33 H new ATOM 0 HB3 LYS A 63 -4.917 2.719 18.071 1.00 52.33 H new ATOM 0 HG2 LYS A 63 -3.798 4.729 17.898 1.00 75.13 H new ATOM 0 HG3 LYS A 63 -5.396 5.284 18.356 1.00 75.13 H new ATOM 0 HD2 LYS A 63 -3.135 4.843 20.341 1.00 35.30 H new ATOM 0 HD3 LYS A 63 -3.468 6.384 19.577 1.00 35.30 H new ATOM 0 HE2 LYS A 63 -5.795 6.305 20.559 1.00 10.42 H new ATOM 0 HE3 LYS A 63 -5.341 4.844 21.414 1.00 10.42 H new ATOM 0 HZ1 LYS A 63 -4.944 6.511 22.942 1.00 72.14 H new ATOM 0 HZ2 LYS A 63 -3.397 6.257 22.291 1.00 72.14 H new ATOM 0 HZ3 LYS A 63 -4.321 7.590 21.788 1.00 72.14 H new ATOM 1029 N THR A 64 -7.382 0.907 19.596 1.00 44.32 N ATOM 1030 CA THR A 64 -8.064 -0.231 18.966 1.00 3.15 C ATOM 1031 C THR A 64 -9.485 0.142 18.513 1.00 41.53 C ATOM 1032 O THR A 64 -10.254 0.741 19.272 1.00 34.21 O ATOM 1033 CB THR A 64 -8.146 -1.465 19.901 1.00 74.33 C ATOM 1034 OG1 THR A 64 -8.866 -2.527 19.251 1.00 50.33 O ATOM 1035 CG2 THR A 64 -8.827 -1.123 21.224 1.00 30.44 C ATOM 0 H THR A 64 -7.151 0.774 20.581 1.00 44.32 H new ATOM 0 HA THR A 64 -7.460 -0.492 18.097 1.00 3.15 H new ATOM 0 HB THR A 64 -7.127 -1.786 20.116 1.00 74.33 H new ATOM 0 HG1 THR A 64 -9.703 -2.697 19.732 1.00 50.33 H new ATOM 0 HG21 THR A 64 -8.866 -2.012 21.853 1.00 30.44 H new ATOM 0 HG22 THR A 64 -8.261 -0.343 21.733 1.00 30.44 H new ATOM 0 HG23 THR A 64 -9.840 -0.770 21.031 1.00 30.44 H new ATOM 1043 N LYS A 65 -9.822 -0.215 17.272 1.00 51.12 N ATOM 1044 CA LYS A 65 -11.146 0.071 16.700 1.00 31.25 C ATOM 1045 C LYS A 65 -12.260 -0.432 17.636 1.00 52.21 C ATOM 1046 O LYS A 65 -13.187 0.304 17.977 1.00 64.24 O ATOM 1047 CB LYS A 65 -11.249 -0.588 15.307 1.00 64.42 C ATOM 1048 CG LYS A 65 -12.382 -0.064 14.415 1.00 34.02 C ATOM 1049 CD LYS A 65 -13.762 -0.578 14.830 1.00 42.24 C ATOM 1050 CE LYS A 65 -14.852 -0.101 13.877 1.00 15.12 C ATOM 1051 NZ LYS A 65 -16.200 -0.571 14.291 1.00 62.11 N1+ ATOM 0 H LYS A 65 -9.193 -0.707 16.637 1.00 51.12 H new ATOM 0 HA LYS A 65 -11.271 1.148 16.592 1.00 31.25 H new ATOM 0 HB2 LYS A 65 -10.303 -0.445 14.785 1.00 64.42 H new ATOM 0 HB3 LYS A 65 -11.381 -1.662 15.440 1.00 64.42 H new ATOM 0 HG2 LYS A 65 -12.384 1.026 14.443 1.00 34.02 H new ATOM 0 HG3 LYS A 65 -12.188 -0.356 13.383 1.00 34.02 H new ATOM 0 HD2 LYS A 65 -13.752 -1.668 14.855 1.00 42.24 H new ATOM 0 HD3 LYS A 65 -13.988 -0.238 15.841 1.00 42.24 H new ATOM 0 HE2 LYS A 65 -14.845 0.988 13.835 1.00 15.12 H new ATOM 0 HE3 LYS A 65 -14.636 -0.460 12.871 1.00 15.12 H new ATOM 0 HZ1 LYS A 65 -16.911 -0.224 13.616 1.00 62.11 H new ATOM 0 HZ2 LYS A 65 -16.215 -1.611 14.307 1.00 62.11 H new ATOM 0 HZ3 LYS A 65 -16.418 -0.207 15.241 1.00 62.11 H new ATOM 1065 N ASN A 66 -12.152 -1.692 18.046 1.00 70.55 N ATOM 1066 CA ASN A 66 -13.088 -2.289 19.004 1.00 31.13 C ATOM 1067 C ASN A 66 -12.318 -2.871 20.203 1.00 3.34 C ATOM 1068 O ASN A 66 -11.315 -3.564 20.024 1.00 73.24 O ATOM 1069 CB ASN A 66 -13.913 -3.389 18.314 1.00 55.33 C ATOM 1070 CG ASN A 66 -15.038 -3.927 19.186 1.00 32.20 C ATOM 1071 OD1 ASN A 66 -14.973 -3.890 20.410 1.00 61.30 O ATOM 1072 ND2 ASN A 66 -16.073 -4.448 18.568 1.00 24.40 N ATOM 0 H ASN A 66 -11.420 -2.328 17.729 1.00 70.55 H new ATOM 0 HA ASN A 66 -13.766 -1.517 19.367 1.00 31.13 H new ATOM 0 HB2 ASN A 66 -14.335 -2.993 17.390 1.00 55.33 H new ATOM 0 HB3 ASN A 66 -13.252 -4.210 18.036 1.00 55.33 H new ATOM 0 HD21 ASN A 66 -16.848 -4.834 19.107 1.00 24.40 H new ATOM 0 HD22 ASN A 66 -16.102 -4.466 17.549 1.00 24.40 H new ATOM 1079 N GLU A 67 -12.793 -2.602 21.418 1.00 10.44 N ATOM 1080 CA GLU A 67 -12.151 -3.129 22.633 1.00 22.34 C ATOM 1081 C GLU A 67 -12.095 -4.667 22.615 1.00 24.44 C ATOM 1082 O GLU A 67 -11.162 -5.270 23.143 1.00 24.44 O ATOM 1083 CB GLU A 67 -12.890 -2.641 23.883 1.00 60.55 C ATOM 1084 CG GLU A 67 -12.842 -1.128 24.072 1.00 35.33 C ATOM 1085 CD GLU A 67 -13.603 -0.670 25.304 1.00 64.23 C ATOM 1086 OE1 GLU A 67 -12.988 -0.557 26.387 1.00 62.11 O ATOM 1087 OE2 GLU A 67 -14.826 -0.435 25.197 1.00 44.44 O1- ATOM 0 H GLU A 67 -13.616 -2.025 21.593 1.00 10.44 H new ATOM 0 HA GLU A 67 -11.128 -2.755 22.658 1.00 22.34 H new ATOM 0 HB2 GLU A 67 -13.931 -2.958 23.826 1.00 60.55 H new ATOM 0 HB3 GLU A 67 -12.458 -3.122 24.761 1.00 60.55 H new ATOM 0 HG2 GLU A 67 -11.803 -0.808 24.151 1.00 35.33 H new ATOM 0 HG3 GLU A 67 -13.259 -0.642 23.190 1.00 35.33 H new ATOM 1094 N GLU A 68 -13.092 -5.291 21.990 1.00 22.25 N ATOM 1095 CA GLU A 68 -13.116 -6.750 21.825 1.00 73.44 C ATOM 1096 C GLU A 68 -11.875 -7.243 21.062 1.00 14.22 C ATOM 1097 O GLU A 68 -11.335 -8.312 21.351 1.00 20.20 O ATOM 1098 CB GLU A 68 -14.391 -7.178 21.090 1.00 40.13 C ATOM 1099 CG GLU A 68 -15.676 -6.789 21.813 1.00 14.53 C ATOM 1100 CD GLU A 68 -16.924 -7.217 21.061 1.00 52.54 C ATOM 1101 OE1 GLU A 68 -17.507 -6.383 20.333 1.00 52.44 O ATOM 1102 OE2 GLU A 68 -17.325 -8.395 21.188 1.00 23.02 O1- ATOM 0 H GLU A 68 -13.897 -4.811 21.588 1.00 22.25 H new ATOM 0 HA GLU A 68 -13.106 -7.202 22.817 1.00 73.44 H new ATOM 0 HB2 GLU A 68 -14.394 -6.731 20.096 1.00 40.13 H new ATOM 0 HB3 GLU A 68 -14.375 -8.259 20.953 1.00 40.13 H new ATOM 0 HG2 GLU A 68 -15.681 -7.241 22.805 1.00 14.53 H new ATOM 0 HG3 GLU A 68 -15.695 -5.709 21.955 1.00 14.53 H new ATOM 1109 N LEU A 69 -11.428 -6.449 20.090 1.00 43.21 N ATOM 1110 CA LEU A 69 -10.198 -6.746 19.349 1.00 54.44 C ATOM 1111 C LEU A 69 -8.985 -6.682 20.295 1.00 2.24 C ATOM 1112 O LEU A 69 -8.075 -7.510 20.216 1.00 65.02 O ATOM 1113 CB LEU A 69 -10.047 -5.753 18.175 1.00 74.12 C ATOM 1114 CG LEU A 69 -8.930 -6.046 17.142 1.00 32.40 C ATOM 1115 CD1 LEU A 69 -7.545 -5.680 17.677 1.00 74.11 C ATOM 1116 CD2 LEU A 69 -8.969 -7.510 16.709 1.00 35.13 C ATOM 0 H LEU A 69 -11.898 -5.593 19.795 1.00 43.21 H new ATOM 0 HA LEU A 69 -10.251 -7.755 18.940 1.00 54.44 H new ATOM 0 HB2 LEU A 69 -10.997 -5.711 17.643 1.00 74.12 H new ATOM 0 HB3 LEU A 69 -9.871 -4.761 18.591 1.00 74.12 H new ATOM 0 HG LEU A 69 -9.119 -5.417 16.272 1.00 32.40 H new ATOM 0 HD11 LEU A 69 -6.792 -5.902 16.920 1.00 74.11 H new ATOM 0 HD12 LEU A 69 -7.517 -4.617 17.916 1.00 74.11 H new ATOM 0 HD13 LEU A 69 -7.337 -6.260 18.576 1.00 74.11 H new ATOM 0 HD21 LEU A 69 -8.177 -7.696 15.983 1.00 35.13 H new ATOM 0 HD22 LEU A 69 -8.822 -8.151 17.579 1.00 35.13 H new ATOM 0 HD23 LEU A 69 -9.936 -7.730 16.255 1.00 35.13 H new ATOM 1128 N ALA A 70 -9.002 -5.709 21.208 1.00 23.31 N ATOM 1129 CA ALA A 70 -7.915 -5.530 22.183 1.00 33.14 C ATOM 1130 C ALA A 70 -7.746 -6.767 23.080 1.00 4.31 C ATOM 1131 O ALA A 70 -6.629 -7.113 23.478 1.00 10.43 O ATOM 1132 CB ALA A 70 -8.162 -4.287 23.038 1.00 14.15 C ATOM 0 H ALA A 70 -9.757 -5.029 21.296 1.00 23.31 H new ATOM 0 HA ALA A 70 -6.990 -5.398 21.621 1.00 33.14 H new ATOM 0 HB1 ALA A 70 -7.348 -4.170 23.754 1.00 14.15 H new ATOM 0 HB2 ALA A 70 -8.210 -3.407 22.396 1.00 14.15 H new ATOM 0 HB3 ALA A 70 -9.104 -4.396 23.575 1.00 14.15 H new ATOM 1138 N LYS A 71 -8.859 -7.431 23.397 1.00 14.21 N ATOM 1139 CA LYS A 71 -8.826 -8.648 24.220 1.00 71.15 C ATOM 1140 C LYS A 71 -7.977 -9.737 23.538 1.00 43.10 C ATOM 1141 O LYS A 71 -7.156 -10.400 24.174 1.00 11.43 O ATOM 1142 CB LYS A 71 -10.253 -9.180 24.456 1.00 52.42 C ATOM 1143 CG LYS A 71 -11.303 -8.092 24.698 1.00 73.30 C ATOM 1144 CD LYS A 71 -11.034 -7.259 25.950 1.00 51.34 C ATOM 1145 CE LYS A 71 -11.279 -8.048 27.229 1.00 21.13 C ATOM 1146 NZ LYS A 71 -11.227 -7.176 28.431 1.00 61.44 N1+ ATOM 0 H LYS A 71 -9.793 -7.150 23.099 1.00 14.21 H new ATOM 0 HA LYS A 71 -8.377 -8.395 25.180 1.00 71.15 H new ATOM 0 HB2 LYS A 71 -10.554 -9.772 23.592 1.00 52.42 H new ATOM 0 HB3 LYS A 71 -10.240 -9.852 25.314 1.00 52.42 H new ATOM 0 HG2 LYS A 71 -11.338 -7.432 23.832 1.00 73.30 H new ATOM 0 HG3 LYS A 71 -12.285 -8.557 24.784 1.00 73.30 H new ATOM 0 HD2 LYS A 71 -10.003 -6.906 25.935 1.00 51.34 H new ATOM 0 HD3 LYS A 71 -11.673 -6.376 25.941 1.00 51.34 H new ATOM 0 HE2 LYS A 71 -12.252 -8.536 27.175 1.00 21.13 H new ATOM 0 HE3 LYS A 71 -10.532 -8.837 27.319 1.00 21.13 H new ATOM 0 HZ1 LYS A 71 -11.398 -7.748 29.283 1.00 61.44 H new ATOM 0 HZ2 LYS A 71 -10.290 -6.730 28.496 1.00 61.44 H new ATOM 0 HZ3 LYS A 71 -11.957 -6.439 28.357 1.00 61.44 H new ATOM 1160 N ARG A 72 -8.185 -9.913 22.232 1.00 15.53 N ATOM 1161 CA ARG A 72 -7.411 -10.877 21.442 1.00 45.31 C ATOM 1162 C ARG A 72 -5.972 -10.381 21.212 1.00 51.15 C ATOM 1163 O ARG A 72 -5.016 -11.156 21.263 1.00 21.15 O ATOM 1164 CB ARG A 72 -8.101 -11.139 20.096 1.00 73.34 C ATOM 1165 CG ARG A 72 -7.494 -12.297 19.310 1.00 74.41 C ATOM 1166 CD ARG A 72 -8.219 -12.528 17.989 1.00 73.43 C ATOM 1167 NE ARG A 72 -7.760 -13.738 17.307 1.00 61.21 N ATOM 1168 CZ ARG A 72 -8.112 -14.075 16.091 1.00 64.12 C ATOM 1169 NH1 ARG A 72 -8.890 -13.315 15.391 1.00 63.03 N1+ ATOM 1170 NH2 ARG A 72 -7.686 -15.180 15.573 1.00 52.22 N ATOM 0 H ARG A 72 -8.885 -9.400 21.696 1.00 15.53 H new ATOM 0 HA ARG A 72 -7.362 -11.809 22.004 1.00 45.31 H new ATOM 0 HB2 ARG A 72 -9.156 -11.346 20.273 1.00 73.34 H new ATOM 0 HB3 ARG A 72 -8.051 -10.234 19.490 1.00 73.34 H new ATOM 0 HG2 ARG A 72 -6.441 -12.092 19.116 1.00 74.41 H new ATOM 0 HG3 ARG A 72 -7.536 -13.205 19.911 1.00 74.41 H new ATOM 0 HD2 ARG A 72 -9.291 -12.602 18.174 1.00 73.43 H new ATOM 0 HD3 ARG A 72 -8.067 -11.667 17.338 1.00 73.43 H new ATOM 0 HE ARG A 72 -7.126 -14.359 17.810 1.00 61.21 H new ATOM 0 HH11 ARG A 72 -9.238 -12.441 15.785 1.00 63.03 H new ATOM 0 HH12 ARG A 72 -9.156 -13.590 14.445 1.00 63.03 H new ATOM 0 HH21 ARG A 72 -7.074 -15.793 16.111 1.00 52.22 H new ATOM 0 HH22 ARG A 72 -7.962 -15.439 14.626 1.00 52.22 H new ATOM 1184 N ALA A 73 -5.832 -9.075 20.979 1.00 3.13 N ATOM 1185 CA ALA A 73 -4.524 -8.450 20.738 1.00 2.34 C ATOM 1186 C ALA A 73 -3.583 -8.629 21.937 1.00 35.24 C ATOM 1187 O ALA A 73 -2.366 -8.739 21.773 1.00 72.22 O ATOM 1188 CB ALA A 73 -4.695 -6.968 20.418 1.00 61.34 C ATOM 0 H ALA A 73 -6.615 -8.422 20.951 1.00 3.13 H new ATOM 0 HA ALA A 73 -4.071 -8.950 19.882 1.00 2.34 H new ATOM 0 HB1 ALA A 73 -3.718 -6.519 20.242 1.00 61.34 H new ATOM 0 HB2 ALA A 73 -5.311 -6.857 19.526 1.00 61.34 H new ATOM 0 HB3 ALA A 73 -5.178 -6.468 21.257 1.00 61.34 H new ATOM 1194 N LYS A 74 -4.158 -8.675 23.138 1.00 24.43 N ATOM 1195 CA LYS A 74 -3.383 -8.830 24.374 1.00 75.45 C ATOM 1196 C LYS A 74 -2.441 -10.045 24.301 1.00 50.13 C ATOM 1197 O LYS A 74 -1.315 -9.993 24.791 1.00 51.20 O ATOM 1198 CB LYS A 74 -4.333 -8.980 25.570 1.00 74.21 C ATOM 1199 CG LYS A 74 -3.620 -9.119 26.914 1.00 34.12 C ATOM 1200 CD LYS A 74 -4.608 -9.362 28.052 1.00 51.35 C ATOM 1201 CE LYS A 74 -3.913 -9.488 29.404 1.00 22.31 C ATOM 1202 NZ LYS A 74 -4.881 -9.740 30.507 1.00 54.35 N1+ ATOM 0 H LYS A 74 -5.165 -8.607 23.284 1.00 24.43 H new ATOM 0 HA LYS A 74 -2.771 -7.937 24.500 1.00 75.45 H new ATOM 0 HB2 LYS A 74 -4.993 -8.113 25.608 1.00 74.21 H new ATOM 0 HB3 LYS A 74 -4.964 -9.855 25.413 1.00 74.21 H new ATOM 0 HG2 LYS A 74 -2.909 -9.944 26.866 1.00 34.12 H new ATOM 0 HG3 LYS A 74 -3.046 -8.215 27.117 1.00 34.12 H new ATOM 0 HD2 LYS A 74 -5.325 -8.542 28.089 1.00 51.35 H new ATOM 0 HD3 LYS A 74 -5.174 -10.271 27.851 1.00 51.35 H new ATOM 0 HE2 LYS A 74 -3.188 -10.301 29.365 1.00 22.31 H new ATOM 0 HE3 LYS A 74 -3.356 -8.574 29.612 1.00 22.31 H new ATOM 0 HZ1 LYS A 74 -4.368 -9.819 31.408 1.00 54.35 H new ATOM 0 HZ2 LYS A 74 -5.558 -8.952 30.562 1.00 54.35 H new ATOM 0 HZ3 LYS A 74 -5.395 -10.625 30.322 1.00 54.35 H new ATOM 1216 N LYS A 75 -2.907 -11.133 23.687 1.00 2.10 N ATOM 1217 CA LYS A 75 -2.086 -12.342 23.523 1.00 10.31 C ATOM 1218 C LYS A 75 -0.815 -12.049 22.700 1.00 1.13 C ATOM 1219 O LYS A 75 0.261 -12.577 22.993 1.00 53.21 O ATOM 1220 CB LYS A 75 -2.900 -13.470 22.861 1.00 0.25 C ATOM 1221 CG LYS A 75 -3.981 -14.085 23.759 1.00 22.14 C ATOM 1222 CD LYS A 75 -5.123 -13.114 24.058 1.00 2.15 C ATOM 1223 CE LYS A 75 -6.167 -13.732 24.981 1.00 50.30 C ATOM 1224 NZ LYS A 75 -7.294 -12.801 25.263 1.00 74.43 N1+ ATOM 0 H LYS A 75 -3.846 -11.206 23.295 1.00 2.10 H new ATOM 0 HA LYS A 75 -1.780 -12.669 24.517 1.00 10.31 H new ATOM 0 HB2 LYS A 75 -3.373 -13.079 21.960 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -2.216 -14.258 22.546 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -4.384 -14.976 23.277 1.00 22.14 H new ATOM 0 HG3 LYS A 75 -3.528 -14.407 24.697 1.00 22.14 H new ATOM 0 HD2 LYS A 75 -4.721 -12.211 24.518 1.00 2.15 H new ATOM 0 HD3 LYS A 75 -5.597 -12.812 23.124 1.00 2.15 H new ATOM 0 HE2 LYS A 75 -6.556 -14.643 24.527 1.00 50.30 H new ATOM 0 HE3 LYS A 75 -5.694 -14.021 25.919 1.00 50.30 H new ATOM 0 HZ1 LYS A 75 -7.190 -12.411 26.221 1.00 74.43 H new ATOM 0 HZ2 LYS A 75 -7.285 -12.025 24.570 1.00 74.43 H new ATOM 0 HZ3 LYS A 75 -8.195 -13.316 25.194 1.00 74.43 H new ATOM 1238 N LEU A 76 -0.946 -11.201 21.677 1.00 62.55 N ATOM 1239 CA LEU A 76 0.204 -10.779 20.862 1.00 5.32 C ATOM 1240 C LEU A 76 1.158 -9.890 21.675 1.00 30.35 C ATOM 1241 O LEU A 76 2.373 -10.085 21.661 1.00 44.13 O ATOM 1242 CB LEU A 76 -0.268 -10.025 19.602 1.00 13.11 C ATOM 1243 CG LEU A 76 -0.910 -10.887 18.496 1.00 42.53 C ATOM 1244 CD1 LEU A 76 0.061 -11.969 18.025 1.00 14.30 C ATOM 1245 CD2 LEU A 76 -2.231 -11.500 18.963 1.00 22.32 C ATOM 0 H LEU A 76 -1.835 -10.791 21.391 1.00 62.55 H new ATOM 0 HA LEU A 76 0.741 -11.677 20.556 1.00 5.32 H new ATOM 0 HB2 LEU A 76 -0.988 -9.265 19.906 1.00 13.11 H new ATOM 0 HB3 LEU A 76 0.587 -9.501 19.175 1.00 13.11 H new ATOM 0 HG LEU A 76 -1.132 -10.236 17.650 1.00 42.53 H new ATOM 0 HD11 LEU A 76 -0.411 -12.566 17.245 1.00 14.30 H new ATOM 0 HD12 LEU A 76 0.963 -11.501 17.629 1.00 14.30 H new ATOM 0 HD13 LEU A 76 0.325 -12.612 18.865 1.00 14.30 H new ATOM 0 HD21 LEU A 76 -2.657 -12.101 18.160 1.00 22.32 H new ATOM 0 HD22 LEU A 76 -2.052 -12.131 19.833 1.00 22.32 H new ATOM 0 HD23 LEU A 76 -2.927 -10.705 19.229 1.00 22.32 H new ATOM 1257 N LEU A 77 0.593 -8.922 22.390 1.00 74.40 N ATOM 1258 CA LEU A 77 1.379 -8.023 23.249 1.00 22.42 C ATOM 1259 C LEU A 77 2.153 -8.814 24.322 1.00 72.51 C ATOM 1260 O LEU A 77 3.332 -8.552 24.579 1.00 65.02 O ATOM 1261 CB LEU A 77 0.454 -6.984 23.909 1.00 34.43 C ATOM 1262 CG LEU A 77 0.027 -5.794 23.021 1.00 60.32 C ATOM 1263 CD1 LEU A 77 -0.523 -6.259 21.676 1.00 41.43 C ATOM 1264 CD2 LEU A 77 -1.008 -4.937 23.747 1.00 4.25 C ATOM 0 H LEU A 77 -0.410 -8.734 22.396 1.00 74.40 H new ATOM 0 HA LEU A 77 2.108 -7.505 22.626 1.00 22.42 H new ATOM 0 HB2 LEU A 77 -0.445 -7.495 24.254 1.00 34.43 H new ATOM 0 HB3 LEU A 77 0.956 -6.590 24.793 1.00 34.43 H new ATOM 0 HG LEU A 77 0.916 -5.194 22.824 1.00 60.32 H new ATOM 0 HD11 LEU A 77 -0.812 -5.392 21.082 1.00 41.43 H new ATOM 0 HD12 LEU A 77 0.243 -6.824 21.145 1.00 41.43 H new ATOM 0 HD13 LEU A 77 -1.394 -6.894 21.839 1.00 41.43 H new ATOM 0 HD21 LEU A 77 -1.300 -4.102 23.110 1.00 4.25 H new ATOM 0 HD22 LEU A 77 -1.885 -5.542 23.977 1.00 4.25 H new ATOM 0 HD23 LEU A 77 -0.579 -4.554 24.673 1.00 4.25 H new ATOM 1276 N ARG A 78 1.484 -9.791 24.935 1.00 64.43 N ATOM 1277 CA ARG A 78 2.122 -10.677 25.919 1.00 73.21 C ATOM 1278 C ARG A 78 3.260 -11.489 25.279 1.00 4.40 C ATOM 1279 O ARG A 78 4.275 -11.776 25.918 1.00 32.40 O ATOM 1280 CB ARG A 78 1.081 -11.624 26.538 1.00 34.40 C ATOM 1281 CG ARG A 78 0.059 -10.925 27.437 1.00 40.44 C ATOM 1282 CD ARG A 78 0.704 -10.371 28.705 1.00 53.30 C ATOM 1283 NE ARG A 78 1.365 -11.420 29.480 1.00 61.11 N ATOM 1284 CZ ARG A 78 2.044 -11.215 30.576 1.00 71.22 C ATOM 1285 NH1 ARG A 78 2.149 -10.028 31.080 1.00 52.14 N1+ ATOM 1286 NH2 ARG A 78 2.609 -12.209 31.176 1.00 73.10 N ATOM 0 H ARG A 78 0.498 -9.992 24.769 1.00 64.43 H new ATOM 0 HA ARG A 78 2.549 -10.054 26.705 1.00 73.21 H new ATOM 0 HB2 ARG A 78 0.552 -12.139 25.736 1.00 34.40 H new ATOM 0 HB3 ARG A 78 1.599 -12.387 27.119 1.00 34.40 H new ATOM 0 HG2 ARG A 78 -0.415 -10.113 26.886 1.00 40.44 H new ATOM 0 HG3 ARG A 78 -0.728 -11.628 27.707 1.00 40.44 H new ATOM 0 HD2 ARG A 78 1.431 -9.604 28.438 1.00 53.30 H new ATOM 0 HD3 ARG A 78 -0.057 -9.890 29.319 1.00 53.30 H new ATOM 0 HE ARG A 78 1.290 -12.379 29.141 1.00 61.11 H new ATOM 0 HH11 ARG A 78 1.698 -9.237 30.620 1.00 52.14 H new ATOM 0 HH12 ARG A 78 2.683 -9.883 31.937 1.00 52.14 H new ATOM 0 HH21 ARG A 78 2.524 -13.151 30.793 1.00 73.10 H new ATOM 0 HH22 ARG A 78 3.140 -12.052 32.033 1.00 73.10 H new ATOM 1300 N SER A 79 3.088 -11.835 24.003 1.00 5.43 N ATOM 1301 CA SER A 79 4.103 -12.584 23.245 1.00 11.42 C ATOM 1302 C SER A 79 5.418 -11.797 23.129 1.00 33.43 C ATOM 1303 O SER A 79 6.480 -12.374 22.888 1.00 14.42 O ATOM 1304 CB SER A 79 3.584 -12.931 21.842 1.00 12.33 C ATOM 1305 OG SER A 79 4.508 -13.744 21.133 1.00 22.43 O ATOM 0 H SER A 79 2.251 -11.609 23.466 1.00 5.43 H new ATOM 0 HA SER A 79 4.302 -13.504 23.794 1.00 11.42 H new ATOM 0 HB2 SER A 79 2.629 -13.450 21.924 1.00 12.33 H new ATOM 0 HB3 SER A 79 3.401 -12.013 21.283 1.00 12.33 H new ATOM 0 HG SER A 79 4.149 -13.949 20.245 1.00 22.43 H new ATOM 1311 N TRP A 80 5.338 -10.471 23.277 1.00 44.21 N ATOM 1312 CA TRP A 80 6.533 -9.611 23.288 1.00 54.11 C ATOM 1313 C TRP A 80 7.045 -9.395 24.725 1.00 41.52 C ATOM 1314 O TRP A 80 8.250 -9.317 24.965 1.00 11.22 O ATOM 1315 CB TRP A 80 6.223 -8.244 22.656 1.00 61.12 C ATOM 1316 CG TRP A 80 5.590 -8.311 21.294 1.00 71.22 C ATOM 1317 CD1 TRP A 80 5.480 -9.401 20.477 1.00 73.33 C ATOM 1318 CD2 TRP A 80 4.988 -7.223 20.590 1.00 23.43 C ATOM 1319 NE1 TRP A 80 4.823 -9.058 19.321 1.00 45.05 N ATOM 1320 CE2 TRP A 80 4.517 -7.722 19.363 1.00 2.20 C ATOM 1321 CE3 TRP A 80 4.799 -5.872 20.885 1.00 73.04 C ATOM 1322 CZ2 TRP A 80 3.868 -6.916 18.433 1.00 21.51 C ATOM 1323 CZ3 TRP A 80 4.158 -5.070 19.965 1.00 64.33 C ATOM 1324 CH2 TRP A 80 3.697 -5.595 18.749 1.00 32.24 C ATOM 0 H TRP A 80 4.459 -9.966 23.391 1.00 44.21 H new ATOM 0 HA TRP A 80 7.304 -10.115 22.706 1.00 54.11 H new ATOM 0 HB2 TRP A 80 5.560 -7.692 23.323 1.00 61.12 H new ATOM 0 HB3 TRP A 80 7.149 -7.674 22.584 1.00 61.12 H new ATOM 0 HD1 TRP A 80 5.855 -10.387 20.707 1.00 73.33 H new ATOM 0 HE1 TRP A 80 4.599 -9.694 18.555 1.00 45.05 H new ATOM 0 HE3 TRP A 80 5.150 -5.461 21.820 1.00 73.04 H new ATOM 0 HZ2 TRP A 80 3.512 -7.318 17.496 1.00 21.51 H new ATOM 0 HZ3 TRP A 80 4.009 -4.023 20.184 1.00 64.33 H new ATOM 0 HH2 TRP A 80 3.197 -4.944 18.047 1.00 32.24 H new ATOM 1335 N GLN A 81 6.113 -9.312 25.677 1.00 62.42 N ATOM 1336 CA GLN A 81 6.437 -9.050 27.092 1.00 65.51 C ATOM 1337 C GLN A 81 7.335 -10.135 27.719 1.00 35.41 C ATOM 1338 O GLN A 81 7.989 -9.892 28.734 1.00 43.43 O ATOM 1339 CB GLN A 81 5.145 -8.912 27.913 1.00 14.44 C ATOM 1340 CG GLN A 81 4.298 -7.699 27.541 1.00 72.43 C ATOM 1341 CD GLN A 81 5.024 -6.381 27.767 1.00 52.32 C ATOM 1342 OE1 GLN A 81 4.971 -5.805 28.845 1.00 44.33 O ATOM 1343 NE2 GLN A 81 5.705 -5.892 26.749 1.00 44.35 N ATOM 0 H GLN A 81 5.115 -9.423 25.496 1.00 62.42 H new ATOM 0 HA GLN A 81 7.000 -8.117 27.114 1.00 65.51 H new ATOM 0 HB2 GLN A 81 4.546 -9.814 27.783 1.00 14.44 H new ATOM 0 HB3 GLN A 81 5.404 -8.851 28.970 1.00 14.44 H new ATOM 0 HG2 GLN A 81 4.006 -7.773 26.493 1.00 72.43 H new ATOM 0 HG3 GLN A 81 3.380 -7.708 28.129 1.00 72.43 H new ATOM 0 HE21 GLN A 81 5.730 -6.396 25.863 1.00 44.35 H new ATOM 0 HE22 GLN A 81 6.207 -5.010 26.848 1.00 44.35 H new ATOM 1352 N LYS A 82 7.392 -11.316 27.102 1.00 70.42 N ATOM 1353 CA LYS A 82 8.094 -12.474 27.689 1.00 62.10 C ATOM 1354 C LYS A 82 9.587 -12.185 27.957 1.00 44.41 C ATOM 1355 O LYS A 82 10.249 -12.935 28.672 1.00 55.51 O ATOM 1356 CB LYS A 82 7.952 -13.709 26.772 1.00 50.03 C ATOM 1357 CG LYS A 82 8.875 -13.724 25.545 1.00 14.21 C ATOM 1358 CD LYS A 82 8.780 -12.439 24.725 1.00 30.44 C ATOM 1359 CE LYS A 82 9.565 -12.518 23.421 1.00 61.53 C ATOM 1360 NZ LYS A 82 8.978 -13.502 22.477 1.00 32.41 N1+ ATOM 0 H LYS A 82 6.963 -11.503 26.196 1.00 70.42 H new ATOM 0 HA LYS A 82 7.624 -12.677 28.651 1.00 62.10 H new ATOM 0 HB2 LYS A 82 8.146 -14.604 27.363 1.00 50.03 H new ATOM 0 HB3 LYS A 82 6.919 -13.770 26.430 1.00 50.03 H new ATOM 0 HG2 LYS A 82 9.905 -13.868 25.871 1.00 14.21 H new ATOM 0 HG3 LYS A 82 8.619 -14.574 24.913 1.00 14.21 H new ATOM 0 HD2 LYS A 82 7.733 -12.230 24.503 1.00 30.44 H new ATOM 0 HD3 LYS A 82 9.152 -11.605 25.319 1.00 30.44 H new ATOM 0 HE2 LYS A 82 9.588 -11.535 22.952 1.00 61.53 H new ATOM 0 HE3 LYS A 82 10.598 -12.793 23.636 1.00 61.53 H new ATOM 0 HZ1 LYS A 82 9.409 -13.382 21.538 1.00 32.41 H new ATOM 0 HZ2 LYS A 82 9.161 -14.466 22.822 1.00 32.41 H new ATOM 0 HZ3 LYS A 82 7.952 -13.348 22.409 1.00 32.41 H new ATOM 1374 N LEU A 83 10.105 -11.094 27.391 1.00 43.55 N ATOM 1375 CA LEU A 83 11.501 -10.702 27.610 1.00 34.20 C ATOM 1376 C LEU A 83 11.741 -10.205 29.052 1.00 21.41 C ATOM 1377 O LEU A 83 12.819 -10.408 29.610 1.00 64.31 O ATOM 1378 CB LEU A 83 11.942 -9.657 26.559 1.00 13.24 C ATOM 1379 CG LEU A 83 11.016 -8.436 26.358 1.00 13.33 C ATOM 1380 CD1 LEU A 83 11.239 -7.377 27.432 1.00 31.42 C ATOM 1381 CD2 LEU A 83 11.213 -7.833 24.968 1.00 61.44 C ATOM 0 H LEU A 83 9.582 -10.467 26.779 1.00 43.55 H new ATOM 0 HA LEU A 83 12.122 -11.589 27.483 1.00 34.20 H new ATOM 0 HB2 LEU A 83 12.930 -9.291 26.838 1.00 13.24 H new ATOM 0 HB3 LEU A 83 12.048 -10.164 25.600 1.00 13.24 H new ATOM 0 HG LEU A 83 9.988 -8.788 26.447 1.00 13.33 H new ATOM 0 HD11 LEU A 83 10.570 -6.534 27.257 1.00 31.42 H new ATOM 0 HD12 LEU A 83 11.034 -7.805 28.413 1.00 31.42 H new ATOM 0 HD13 LEU A 83 12.273 -7.033 27.395 1.00 31.42 H new ATOM 0 HD21 LEU A 83 10.552 -6.975 24.847 1.00 61.44 H new ATOM 0 HD22 LEU A 83 12.249 -7.512 24.854 1.00 61.44 H new ATOM 0 HD23 LEU A 83 10.979 -8.581 24.210 1.00 61.44 H new ATOM 1393 N ILE A 84 10.738 -9.554 29.652 1.00 25.13 N ATOM 1394 CA ILE A 84 10.816 -9.149 31.069 1.00 73.35 C ATOM 1395 C ILE A 84 9.940 -10.035 31.975 1.00 73.11 C ATOM 1396 O ILE A 84 10.024 -9.956 33.202 1.00 74.15 O ATOM 1397 CB ILE A 84 10.458 -7.644 31.282 1.00 53.31 C ATOM 1398 CG1 ILE A 84 9.208 -7.224 30.478 1.00 12.42 C ATOM 1399 CG2 ILE A 84 11.648 -6.755 30.925 1.00 61.32 C ATOM 1400 CD1 ILE A 84 7.894 -7.704 31.057 1.00 51.12 C ATOM 0 H ILE A 84 9.868 -9.296 29.187 1.00 25.13 H new ATOM 0 HA ILE A 84 11.858 -9.289 31.358 1.00 73.35 H new ATOM 0 HB ILE A 84 10.222 -7.514 32.338 1.00 53.31 H new ATOM 0 HG12 ILE A 84 9.184 -6.136 30.411 1.00 12.42 H new ATOM 0 HG13 ILE A 84 9.302 -7.604 29.461 1.00 12.42 H new ATOM 0 HG21 ILE A 84 11.380 -5.710 31.079 1.00 61.32 H new ATOM 0 HG22 ILE A 84 12.496 -7.010 31.560 1.00 61.32 H new ATOM 0 HG23 ILE A 84 11.917 -6.910 29.880 1.00 61.32 H new ATOM 0 HD11 ILE A 84 7.073 -7.362 30.427 1.00 51.12 H new ATOM 0 HD12 ILE A 84 7.891 -8.793 31.098 1.00 51.12 H new ATOM 0 HD13 ILE A 84 7.771 -7.302 32.063 1.00 51.12 H new ATOM 1412 N GLU A 85 9.095 -10.867 31.369 1.00 21.24 N ATOM 1413 CA GLU A 85 8.257 -11.804 32.128 1.00 2.02 C ATOM 1414 C GLU A 85 9.072 -13.021 32.605 1.00 11.02 C ATOM 1415 O GLU A 85 9.880 -13.565 31.853 1.00 24.01 O ATOM 1416 CB GLU A 85 7.074 -12.288 31.273 1.00 64.41 C ATOM 1417 CG GLU A 85 6.066 -11.202 30.911 1.00 20.44 C ATOM 1418 CD GLU A 85 5.330 -10.648 32.121 1.00 24.53 C ATOM 1419 OE1 GLU A 85 4.658 -11.436 32.824 1.00 42.13 O ATOM 1420 OE2 GLU A 85 5.396 -9.426 32.364 1.00 31.22 O1- ATOM 0 H GLU A 85 8.970 -10.914 30.358 1.00 21.24 H new ATOM 0 HA GLU A 85 7.879 -11.271 33.000 1.00 2.02 H new ATOM 0 HB2 GLU A 85 7.462 -12.726 30.354 1.00 64.41 H new ATOM 0 HB3 GLU A 85 6.555 -13.082 31.810 1.00 64.41 H new ATOM 0 HG2 GLU A 85 6.584 -10.388 30.403 1.00 20.44 H new ATOM 0 HG3 GLU A 85 5.341 -11.608 30.206 1.00 20.44 H new ATOM 1427 N PRO A 86 8.855 -13.483 33.855 1.00 0.02 N ATOM 1428 CA PRO A 86 9.543 -14.674 34.397 1.00 12.33 C ATOM 1429 C PRO A 86 8.982 -16.004 33.848 1.00 44.11 C ATOM 1430 O PRO A 86 9.242 -17.078 34.400 1.00 14.02 O ATOM 1431 CB PRO A 86 9.286 -14.555 35.905 1.00 22.33 C ATOM 1432 CG PRO A 86 7.979 -13.842 36.007 1.00 20.22 C ATOM 1433 CD PRO A 86 7.938 -12.878 34.847 1.00 73.00 C ATOM 0 HA PRO A 86 10.597 -14.697 34.121 1.00 12.33 H new ATOM 0 HB2 PRO A 86 9.241 -15.536 36.378 1.00 22.33 H new ATOM 0 HB3 PRO A 86 10.081 -13.998 36.400 1.00 22.33 H new ATOM 0 HG2 PRO A 86 7.147 -14.544 35.960 1.00 20.22 H new ATOM 0 HG3 PRO A 86 7.896 -13.313 36.957 1.00 20.22 H new ATOM 0 HD2 PRO A 86 6.929 -12.774 34.448 1.00 73.00 H new ATOM 0 HD3 PRO A 86 8.268 -11.882 35.142 1.00 73.00 H new