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 22 GLN :FLIP amide:sc= -0.538 F(o=-2.8!,f=-0.83) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.293 X(o=-0.83,f=-1.2) USER MOD Set 2.1: A 7 SER OG : rot -139:sc= -1.46 USER MOD Set 2.2: A 9 GLN : amide:sc= -1.43 K(o=-3.1,f=-8.3!) USER MOD Set 2.3: A 10 GLN :FLIP amide:sc= -0.182 F(o=-6.8!,f=-3.1) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.952 F(o=-1.7!,f=-0.95) USER MOD Single : A 23 SER OG : rot -89:sc= 0.262 USER MOD Single : A 27 ASN : amide:sc= -0.0664 K(o=-0.066,f=-7.8!) USER MOD Single : A 28 MET CE :methyl 149:sc= -0.0129 (180deg=-1.58!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 72:sc= 0.495 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= -0.157 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 1.07 (180deg=0.922) USER MOD Single : A 51 THR OG1 : rot -16:sc= -0.494 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0.864 (180deg=0.863) USER MOD Single : A 58 ASN : amide:sc= -0.136 K(o=-0.14,f=-11!) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.0101 (180deg=-0.152) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= -3.56! (180deg=-6.88!) USER MOD Single : A 64 THR OG1 : rot -125:sc= -0.26 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.32! C(o=-1.3!,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.944 K(o=-0.94,f=-1.7) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 10.484 -6.546 8.446 1.00 11.03 N ATOM 79 CA SER A 7 10.963 -6.242 9.802 1.00 64.23 C ATOM 80 C SER A 7 10.170 -5.079 10.440 1.00 20.31 C ATOM 81 O SER A 7 9.708 -4.173 9.739 1.00 72.13 O ATOM 82 CB SER A 7 12.461 -5.903 9.749 1.00 23.30 C ATOM 83 OG SER A 7 12.992 -5.699 11.045 1.00 52.41 O ATOM 0 HA SER A 7 10.807 -7.122 10.427 1.00 64.23 H new ATOM 0 HB2 SER A 7 13.001 -6.712 9.256 1.00 23.30 H new ATOM 0 HB3 SER A 7 12.611 -5.006 9.148 1.00 23.30 H new ATOM 0 HG SER A 7 13.607 -4.936 11.030 1.00 52.41 H new ATOM 89 N PRO A 8 10.011 -5.091 11.786 1.00 32.33 N ATOM 90 CA PRO A 8 9.200 -4.098 12.535 1.00 41.13 C ATOM 91 C PRO A 8 9.408 -2.614 12.146 1.00 22.33 C ATOM 92 O PRO A 8 8.486 -1.810 12.298 1.00 13.04 O ATOM 93 CB PRO A 8 9.642 -4.327 13.984 1.00 51.52 C ATOM 94 CG PRO A 8 9.984 -5.774 14.037 1.00 42.32 C ATOM 95 CD PRO A 8 10.596 -6.103 12.700 1.00 10.45 C ATOM 0 HA PRO A 8 8.141 -4.251 12.327 1.00 41.13 H new ATOM 0 HB2 PRO A 8 10.500 -3.705 14.242 1.00 51.52 H new ATOM 0 HB3 PRO A 8 8.846 -4.080 14.687 1.00 51.52 H new ATOM 0 HG2 PRO A 8 10.683 -5.981 14.848 1.00 42.32 H new ATOM 0 HG3 PRO A 8 9.096 -6.379 14.219 1.00 42.32 H new ATOM 0 HD2 PRO A 8 11.683 -6.034 12.730 1.00 10.45 H new ATOM 0 HD3 PRO A 8 10.349 -7.117 12.385 1.00 10.45 H new ATOM 103 N GLN A 9 10.592 -2.238 11.648 1.00 50.43 N ATOM 104 CA GLN A 9 10.864 -0.818 11.338 1.00 74.42 C ATOM 105 C GLN A 9 9.889 -0.284 10.275 1.00 3.53 C ATOM 106 O GLN A 9 9.361 0.824 10.396 1.00 55.40 O ATOM 107 CB GLN A 9 12.309 -0.602 10.850 1.00 14.04 C ATOM 108 CG GLN A 9 13.392 -1.132 11.792 1.00 32.04 C ATOM 109 CD GLN A 9 13.650 -2.617 11.611 1.00 3.32 C ATOM 110 OE1 GLN A 9 13.487 -3.152 10.519 1.00 62.30 O ATOM 111 NE2 GLN A 9 14.053 -3.296 12.667 1.00 13.33 N ATOM 0 H GLN A 9 11.364 -2.875 11.453 1.00 50.43 H new ATOM 0 HA GLN A 9 10.724 -0.267 12.268 1.00 74.42 H new ATOM 0 HB2 GLN A 9 12.425 -1.083 9.879 1.00 14.04 H new ATOM 0 HB3 GLN A 9 12.470 0.465 10.698 1.00 14.04 H new ATOM 0 HG2 GLN A 9 14.318 -0.583 11.620 1.00 32.04 H new ATOM 0 HG3 GLN A 9 13.095 -0.942 12.824 1.00 32.04 H new ATOM 0 HE21 GLN A 9 14.179 -2.821 13.561 1.00 13.33 H new ATOM 0 HE22 GLN A 9 14.239 -4.296 12.590 1.00 13.33 H new ATOM 120 N GLN A 10 9.643 -1.091 9.247 1.00 45.03 N ATOM 121 CA GLN A 10 8.697 -0.734 8.183 1.00 12.21 C ATOM 122 C GLN A 10 7.264 -0.638 8.729 1.00 54.02 C ATOM 123 O GLN A 10 6.478 0.216 8.314 1.00 12.31 O ATOM 124 CB GLN A 10 8.765 -1.763 7.040 1.00 64.01 C ATOM 125 CG GLN A 10 10.036 -1.678 6.192 1.00 72.02 C ATOM 126 CD GLN A 10 11.313 -1.993 6.961 1.00 52.01 C ATOM 127 OE1 GLN A 10 11.246 -2.930 7.889 1.00 1.14 O flip ATOM 128 NE2 GLN A 10 12.365 -1.424 6.695 1.00 61.51 N flip ATOM 0 H GLN A 10 10.086 -2.002 9.124 1.00 45.03 H new ATOM 0 HA GLN A 10 8.978 0.245 7.794 1.00 12.21 H new ATOM 0 HB2 GLN A 10 8.691 -2.765 7.463 1.00 64.01 H new ATOM 0 HB3 GLN A 10 7.900 -1.626 6.392 1.00 64.01 H new ATOM 0 HG2 GLN A 10 9.949 -2.369 5.354 1.00 72.02 H new ATOM 0 HG3 GLN A 10 10.114 -0.675 5.772 1.00 72.02 H new ATOM 0 HE21 GLN A 10 12.387 -0.704 5.973 1.00 61.51 H new ATOM 0 HE22 GLN A 10 13.219 -1.671 7.196 1.00 61.51 H new ATOM 137 N ILE A 11 6.937 -1.516 9.673 1.00 20.30 N ATOM 138 CA ILE A 11 5.632 -1.492 10.337 1.00 30.24 C ATOM 139 C ILE A 11 5.458 -0.204 11.160 1.00 71.30 C ATOM 140 O ILE A 11 4.398 0.425 11.136 1.00 73.14 O ATOM 141 CB ILE A 11 5.451 -2.725 11.260 1.00 0.14 C ATOM 142 CG1 ILE A 11 5.610 -4.025 10.450 1.00 24.13 C ATOM 143 CG2 ILE A 11 4.094 -2.684 11.961 1.00 30.14 C ATOM 144 CD1 ILE A 11 5.488 -5.289 11.280 1.00 23.21 C ATOM 0 H ILE A 11 7.559 -2.257 9.998 1.00 20.30 H new ATOM 0 HA ILE A 11 4.870 -1.522 9.558 1.00 30.24 H new ATOM 0 HB ILE A 11 6.225 -2.699 12.027 1.00 0.14 H new ATOM 0 HG12 ILE A 11 4.856 -4.045 9.663 1.00 24.13 H new ATOM 0 HG13 ILE A 11 6.583 -4.018 9.959 1.00 24.13 H new ATOM 0 HG21 ILE A 11 3.990 -3.559 12.603 1.00 30.14 H new ATOM 0 HG22 ILE A 11 4.024 -1.780 12.566 1.00 30.14 H new ATOM 0 HG23 ILE A 11 3.299 -2.684 11.215 1.00 30.14 H new ATOM 0 HD11 ILE A 11 5.612 -6.160 10.637 1.00 23.21 H new ATOM 0 HD12 ILE A 11 6.259 -5.294 12.050 1.00 23.21 H new ATOM 0 HD13 ILE A 11 4.505 -5.322 11.750 1.00 23.21 H new ATOM 156 N ARG A 12 6.516 0.185 11.874 1.00 61.03 N ATOM 157 CA ARG A 12 6.509 1.416 12.671 1.00 13.40 C ATOM 158 C ARG A 12 6.354 2.650 11.766 1.00 54.05 C ATOM 159 O ARG A 12 5.589 3.566 12.067 1.00 70.24 O ATOM 160 CB ARG A 12 7.804 1.527 13.487 1.00 62.11 C ATOM 161 CG ARG A 12 7.789 2.649 14.524 1.00 23.35 C ATOM 162 CD ARG A 12 9.150 2.815 15.196 1.00 1.13 C ATOM 163 NE ARG A 12 9.122 3.783 16.294 1.00 14.43 N ATOM 164 CZ ARG A 12 9.376 5.059 16.163 1.00 44.43 C ATOM 165 NH1 ARG A 12 9.623 5.573 14.996 1.00 65.35 N1+ ATOM 166 NH2 ARG A 12 9.383 5.822 17.209 1.00 31.33 N ATOM 0 H ARG A 12 7.392 -0.336 11.917 1.00 61.03 H new ATOM 0 HA ARG A 12 5.659 1.376 13.353 1.00 13.40 H new ATOM 0 HB2 ARG A 12 7.984 0.579 13.994 1.00 62.11 H new ATOM 0 HB3 ARG A 12 8.639 1.687 12.805 1.00 62.11 H new ATOM 0 HG2 ARG A 12 7.504 3.585 14.043 1.00 23.35 H new ATOM 0 HG3 ARG A 12 7.033 2.436 15.280 1.00 23.35 H new ATOM 0 HD2 ARG A 12 9.483 1.849 15.576 1.00 1.13 H new ATOM 0 HD3 ARG A 12 9.881 3.135 14.453 1.00 1.13 H new ATOM 0 HE ARG A 12 8.888 3.438 17.225 1.00 14.43 H new ATOM 0 HH11 ARG A 12 9.620 4.980 14.166 1.00 65.35 H new ATOM 0 HH12 ARG A 12 9.819 6.570 14.909 1.00 65.35 H new ATOM 0 HH21 ARG A 12 9.191 5.427 18.130 1.00 31.33 H new ATOM 0 HH22 ARG A 12 9.581 6.818 17.112 1.00 31.33 H new ATOM 180 N ASP A 13 7.082 2.657 10.651 1.00 13.04 N ATOM 181 CA ASP A 13 6.975 3.727 9.653 1.00 30.13 C ATOM 182 C ASP A 13 5.520 3.863 9.156 1.00 41.02 C ATOM 183 O ASP A 13 4.986 4.969 9.036 1.00 22.13 O ATOM 184 CB ASP A 13 7.924 3.429 8.483 1.00 72.23 C ATOM 185 CG ASP A 13 7.935 4.529 7.437 1.00 21.42 C ATOM 186 OD1 ASP A 13 7.356 4.332 6.348 1.00 64.04 O ATOM 187 OD2 ASP A 13 8.528 5.598 7.697 1.00 41.05 O1- ATOM 0 H ASP A 13 7.757 1.930 10.412 1.00 13.04 H new ATOM 0 HA ASP A 13 7.260 4.674 10.111 1.00 30.13 H new ATOM 0 HB2 ASP A 13 8.934 3.290 8.868 1.00 72.23 H new ATOM 0 HB3 ASP A 13 7.630 2.491 8.013 1.00 72.23 H new ATOM 192 N ARG A 14 4.887 2.719 8.891 1.00 71.22 N ATOM 193 CA ARG A 14 3.472 2.669 8.489 1.00 25.33 C ATOM 194 C ARG A 14 2.537 3.110 9.636 1.00 74.41 C ATOM 195 O ARG A 14 1.439 3.610 9.401 1.00 44.31 O ATOM 196 CB ARG A 14 3.109 1.259 7.993 1.00 70.22 C ATOM 197 CG ARG A 14 1.664 1.115 7.509 1.00 63.20 C ATOM 198 CD ARG A 14 1.448 -0.185 6.737 1.00 0.32 C ATOM 199 NE ARG A 14 1.876 -1.356 7.500 1.00 44.54 N ATOM 200 CZ ARG A 14 1.995 -2.554 6.997 1.00 11.33 C ATOM 201 NH1 ARG A 14 1.712 -2.788 5.756 1.00 43.55 N1+ ATOM 202 NH2 ARG A 14 2.401 -3.526 7.741 1.00 63.31 N ATOM 0 H ARG A 14 5.334 1.804 8.947 1.00 71.22 H new ATOM 0 HA ARG A 14 3.330 3.374 7.670 1.00 25.33 H new ATOM 0 HB2 ARG A 14 3.781 0.989 7.179 1.00 70.22 H new ATOM 0 HB3 ARG A 14 3.283 0.547 8.800 1.00 70.22 H new ATOM 0 HG2 ARG A 14 0.990 1.145 8.365 1.00 63.20 H new ATOM 0 HG3 ARG A 14 1.408 1.962 6.872 1.00 63.20 H new ATOM 0 HD2 ARG A 14 0.393 -0.284 6.483 1.00 0.32 H new ATOM 0 HD3 ARG A 14 1.999 -0.144 5.797 1.00 0.32 H new ATOM 0 HE ARG A 14 2.095 -1.229 8.488 1.00 44.54 H new ATOM 0 HH11 ARG A 14 1.390 -2.030 5.155 1.00 43.55 H new ATOM 0 HH12 ARG A 14 1.811 -3.731 5.379 1.00 43.55 H new ATOM 0 HH21 ARG A 14 2.628 -3.358 8.721 1.00 63.31 H new ATOM 0 HH22 ARG A 14 2.495 -4.463 7.350 1.00 63.31 H new ATOM 216 N LEU A 15 2.956 2.881 10.873 1.00 51.10 N ATOM 217 CA LEU A 15 2.198 3.338 12.049 1.00 3.14 C ATOM 218 C LEU A 15 2.143 4.885 12.103 1.00 1.34 C ATOM 219 O LEU A 15 1.070 5.478 12.226 1.00 50.31 O ATOM 220 CB LEU A 15 2.854 2.771 13.327 1.00 24.11 C ATOM 221 CG LEU A 15 1.973 2.703 14.595 1.00 73.30 C ATOM 222 CD1 LEU A 15 2.710 1.966 15.709 1.00 72.31 C ATOM 223 CD2 LEU A 15 1.560 4.094 15.075 1.00 13.43 C ATOM 0 H LEU A 15 3.817 2.382 11.097 1.00 51.10 H new ATOM 0 HA LEU A 15 1.173 2.974 11.977 1.00 3.14 H new ATOM 0 HB2 LEU A 15 3.210 1.765 13.107 1.00 24.11 H new ATOM 0 HB3 LEU A 15 3.731 3.377 13.555 1.00 24.11 H new ATOM 0 HG LEU A 15 1.066 2.157 14.336 1.00 73.30 H new ATOM 0 HD11 LEU A 15 2.079 1.925 16.597 1.00 72.31 H new ATOM 0 HD12 LEU A 15 2.944 0.953 15.382 1.00 72.31 H new ATOM 0 HD13 LEU A 15 3.634 2.493 15.945 1.00 72.31 H new ATOM 0 HD21 LEU A 15 0.942 4.002 15.968 1.00 13.43 H new ATOM 0 HD22 LEU A 15 2.451 4.678 15.308 1.00 13.43 H new ATOM 0 HD23 LEU A 15 0.993 4.596 14.291 1.00 13.43 H new ATOM 235 N LEU A 16 3.308 5.526 11.977 1.00 53.35 N ATOM 236 CA LEU A 16 3.431 6.990 12.148 1.00 14.14 C ATOM 237 C LEU A 16 2.589 7.795 11.138 1.00 54.40 C ATOM 238 O LEU A 16 2.003 8.820 11.489 1.00 72.52 O ATOM 239 CB LEU A 16 4.909 7.416 12.056 1.00 31.32 C ATOM 240 CG LEU A 16 5.716 7.318 13.367 1.00 33.23 C ATOM 241 CD1 LEU A 16 5.656 5.912 13.960 1.00 53.15 C ATOM 242 CD2 LEU A 16 7.166 7.742 13.133 1.00 13.15 C ATOM 0 H LEU A 16 4.187 5.058 11.756 1.00 53.35 H new ATOM 0 HA LEU A 16 3.037 7.218 13.139 1.00 14.14 H new ATOM 0 HB2 LEU A 16 5.399 6.800 11.302 1.00 31.32 H new ATOM 0 HB3 LEU A 16 4.950 8.446 11.702 1.00 31.32 H new ATOM 0 HG LEU A 16 5.263 7.998 14.088 1.00 33.23 H new ATOM 0 HD11 LEU A 16 6.236 5.881 14.882 1.00 53.15 H new ATOM 0 HD12 LEU A 16 4.619 5.651 14.174 1.00 53.15 H new ATOM 0 HD13 LEU A 16 6.070 5.199 13.247 1.00 53.15 H new ATOM 0 HD21 LEU A 16 7.722 7.667 14.067 1.00 13.15 H new ATOM 0 HD22 LEU A 16 7.620 7.089 12.387 1.00 13.15 H new ATOM 0 HD23 LEU A 16 7.191 8.772 12.777 1.00 13.15 H new ATOM 254 N GLN A 17 2.529 7.333 9.892 1.00 53.52 N ATOM 255 CA GLN A 17 1.789 8.044 8.831 1.00 53.43 C ATOM 256 C GLN A 17 0.292 8.219 9.164 1.00 0.31 C ATOM 257 O GLN A 17 -0.358 9.137 8.657 1.00 24.03 O ATOM 258 CB GLN A 17 1.917 7.293 7.497 1.00 0.24 C ATOM 259 CG GLN A 17 1.592 5.810 7.618 1.00 42.24 C ATOM 260 CD GLN A 17 1.381 5.105 6.289 1.00 55.13 C ATOM 261 OE1 GLN A 17 0.612 4.032 6.315 1.00 64.34 O flip ATOM 262 NE2 GLN A 17 1.924 5.495 5.260 1.00 55.01 N flip ATOM 0 H GLN A 17 2.980 6.472 9.584 1.00 53.52 H new ATOM 0 HA GLN A 17 2.235 9.036 8.754 1.00 53.43 H new ATOM 0 HB2 GLN A 17 1.250 7.747 6.765 1.00 0.24 H new ATOM 0 HB3 GLN A 17 2.932 7.407 7.117 1.00 0.24 H new ATOM 0 HG2 GLN A 17 2.402 5.315 8.154 1.00 42.24 H new ATOM 0 HG3 GLN A 17 0.693 5.695 8.223 1.00 42.24 H new ATOM 0 HE21 GLN A 17 2.512 6.329 5.278 1.00 55.01 H new ATOM 0 HE22 GLN A 17 1.788 4.986 4.387 1.00 55.01 H new ATOM 271 N ALA A 18 -0.247 7.344 10.013 1.00 72.32 N ATOM 272 CA ALA A 18 -1.688 7.323 10.292 1.00 54.05 C ATOM 273 C ALA A 18 -2.091 8.232 11.464 1.00 14.24 C ATOM 274 O ALA A 18 -3.278 8.534 11.639 1.00 30.03 O ATOM 275 CB ALA A 18 -2.135 5.893 10.568 1.00 40.33 C ATOM 0 H ALA A 18 0.289 6.640 10.520 1.00 72.32 H new ATOM 0 HA ALA A 18 -2.189 7.714 9.406 1.00 54.05 H new ATOM 0 HB1 ALA A 18 -3.205 5.880 10.775 1.00 40.33 H new ATOM 0 HB2 ALA A 18 -1.926 5.272 9.697 1.00 40.33 H new ATOM 0 HB3 ALA A 18 -1.594 5.503 11.430 1.00 40.33 H new ATOM 281 N ILE A 19 -1.119 8.669 12.267 1.00 51.45 N ATOM 282 CA ILE A 19 -1.418 9.439 13.483 1.00 41.13 C ATOM 283 C ILE A 19 -0.475 10.635 13.677 1.00 61.02 C ATOM 284 O ILE A 19 0.559 10.758 13.018 1.00 12.43 O ATOM 285 CB ILE A 19 -1.329 8.549 14.755 1.00 5.24 C ATOM 286 CG1 ILE A 19 0.094 7.984 14.921 1.00 44.45 C ATOM 287 CG2 ILE A 19 -2.357 7.417 14.704 1.00 72.11 C ATOM 288 CD1 ILE A 19 0.310 7.233 16.219 1.00 40.14 C ATOM 0 H ILE A 19 -0.126 8.507 12.102 1.00 51.45 H new ATOM 0 HA ILE A 19 -2.435 9.808 13.347 1.00 41.13 H new ATOM 0 HB ILE A 19 -1.556 9.171 15.621 1.00 5.24 H new ATOM 0 HG12 ILE A 19 0.309 7.316 14.087 1.00 44.45 H new ATOM 0 HG13 ILE A 19 0.809 8.805 14.865 1.00 44.45 H new ATOM 0 HG21 ILE A 19 -2.274 6.809 15.605 1.00 72.11 H new ATOM 0 HG22 ILE A 19 -3.360 7.839 14.642 1.00 72.11 H new ATOM 0 HG23 ILE A 19 -2.170 6.795 13.828 1.00 72.11 H new ATOM 0 HD11 ILE A 19 1.336 6.866 16.261 1.00 40.14 H new ATOM 0 HD12 ILE A 19 0.129 7.902 17.061 1.00 40.14 H new ATOM 0 HD13 ILE A 19 -0.379 6.390 16.271 1.00 40.14 H new ATOM 300 N ASP A 20 -0.865 11.533 14.577 1.00 53.24 N ATOM 301 CA ASP A 20 0.030 12.583 15.070 1.00 34.04 C ATOM 302 C ASP A 20 0.782 12.087 16.321 1.00 54.52 C ATOM 303 O ASP A 20 0.372 11.100 16.928 1.00 44.34 O ATOM 304 CB ASP A 20 -0.770 13.853 15.385 1.00 42.51 C ATOM 305 CG ASP A 20 -1.349 14.477 14.131 1.00 1.24 C ATOM 306 OD1 ASP A 20 -0.559 14.927 13.271 1.00 60.14 O ATOM 307 OD2 ASP A 20 -2.586 14.521 13.993 1.00 22.02 O1- ATOM 0 H ASP A 20 -1.800 11.557 14.984 1.00 53.24 H new ATOM 0 HA ASP A 20 0.762 12.822 14.298 1.00 34.04 H new ATOM 0 HB2 ASP A 20 -1.577 13.612 16.077 1.00 42.51 H new ATOM 0 HB3 ASP A 20 -0.125 14.575 15.886 1.00 42.51 H new ATOM 312 N PRO A 21 1.889 12.751 16.729 1.00 4.21 N ATOM 313 CA PRO A 21 2.685 12.338 17.911 1.00 23.21 C ATOM 314 C PRO A 21 1.838 12.011 19.158 1.00 0.35 C ATOM 315 O PRO A 21 2.240 11.210 20.004 1.00 1.22 O ATOM 316 CB PRO A 21 3.574 13.559 18.168 1.00 44.45 C ATOM 317 CG PRO A 21 3.760 14.172 16.821 1.00 64.34 C ATOM 318 CD PRO A 21 2.470 13.942 16.070 1.00 2.10 C ATOM 0 HA PRO A 21 3.227 11.412 17.718 1.00 23.21 H new ATOM 0 HB2 PRO A 21 3.101 14.256 18.860 1.00 44.45 H new ATOM 0 HB3 PRO A 21 4.528 13.270 18.608 1.00 44.45 H new ATOM 0 HG2 PRO A 21 3.977 15.237 16.905 1.00 64.34 H new ATOM 0 HG3 PRO A 21 4.601 13.716 16.299 1.00 64.34 H new ATOM 0 HD2 PRO A 21 1.806 14.803 16.141 1.00 2.10 H new ATOM 0 HD3 PRO A 21 2.650 13.765 15.010 1.00 2.10 H new ATOM 326 N GLN A 22 0.662 12.629 19.250 1.00 44.13 N ATOM 327 CA GLN A 22 -0.253 12.433 20.386 1.00 42.04 C ATOM 328 C GLN A 22 -1.218 11.248 20.143 1.00 13.23 C ATOM 329 O GLN A 22 -2.211 11.092 20.852 1.00 11.22 O ATOM 330 CB GLN A 22 -1.046 13.738 20.614 1.00 2.10 C ATOM 331 CG GLN A 22 -1.113 14.204 22.071 1.00 53.34 C ATOM 332 CD GLN A 22 -2.086 13.414 22.936 1.00 74.11 C ATOM 333 OE1 GLN A 22 -3.174 12.950 22.353 1.00 44.22 O flip ATOM 334 NE2 GLN A 22 -1.874 13.248 24.134 1.00 52.42 N flip ATOM 0 H GLN A 22 0.312 13.278 18.545 1.00 44.13 H new ATOM 0 HA GLN A 22 0.332 12.192 21.273 1.00 42.04 H new ATOM 0 HB2 GLN A 22 -0.596 14.529 20.015 1.00 2.10 H new ATOM 0 HB3 GLN A 22 -2.062 13.598 20.245 1.00 2.10 H new ATOM 0 HG2 GLN A 22 -0.117 14.135 22.509 1.00 53.34 H new ATOM 0 HG3 GLN A 22 -1.398 15.256 22.091 1.00 53.34 H new ATOM 0 HE21 GLN A 22 -1.023 13.618 24.557 1.00 52.42 H new ATOM 0 HE22 GLN A 22 -2.549 12.740 24.706 1.00 52.42 H new ATOM 343 N SER A 23 -0.914 10.416 19.144 1.00 65.42 N ATOM 344 CA SER A 23 -1.769 9.268 18.780 1.00 53.23 C ATOM 345 C SER A 23 -3.177 9.711 18.342 1.00 41.11 C ATOM 346 O SER A 23 -4.184 9.119 18.734 1.00 55.11 O ATOM 347 CB SER A 23 -1.856 8.254 19.938 1.00 23.01 C ATOM 348 OG SER A 23 -0.631 7.550 20.098 1.00 61.13 O ATOM 0 H SER A 23 -0.079 10.511 18.566 1.00 65.42 H new ATOM 0 HA SER A 23 -1.299 8.780 17.926 1.00 53.23 H new ATOM 0 HB2 SER A 23 -2.103 8.775 20.863 1.00 23.01 H new ATOM 0 HB3 SER A 23 -2.663 7.547 19.746 1.00 23.01 H new ATOM 0 HG SER A 23 -0.637 6.750 19.532 1.00 61.13 H new ATOM 354 N ASN A 24 -3.237 10.751 17.514 1.00 61.52 N ATOM 355 CA ASN A 24 -4.515 11.279 17.008 1.00 1.43 C ATOM 356 C ASN A 24 -4.848 10.700 15.616 1.00 33.12 C ATOM 357 O ASN A 24 -3.964 10.553 14.773 1.00 43.04 O ATOM 358 CB ASN A 24 -4.450 12.806 16.939 1.00 61.13 C ATOM 359 CG ASN A 24 -4.033 13.427 18.263 1.00 64.13 C ATOM 360 OD1 ASN A 24 -4.331 12.909 19.335 1.00 40.51 O ATOM 361 ND2 ASN A 24 -3.329 14.534 18.199 1.00 55.54 N ATOM 0 H ASN A 24 -2.415 11.251 17.174 1.00 61.52 H new ATOM 0 HA ASN A 24 -5.306 10.978 17.695 1.00 1.43 H new ATOM 0 HB2 ASN A 24 -3.744 13.103 16.163 1.00 61.13 H new ATOM 0 HB3 ASN A 24 -5.426 13.196 16.649 1.00 61.13 H new ATOM 0 HD21 ASN A 24 -3.014 14.988 19.056 1.00 55.54 H new ATOM 0 HD22 ASN A 24 -3.098 14.940 17.292 1.00 55.54 H new ATOM 368 N ILE A 25 -6.125 10.384 15.382 1.00 25.52 N ATOM 369 CA ILE A 25 -6.562 9.771 14.114 1.00 70.53 C ATOM 370 C ILE A 25 -6.437 10.724 12.909 1.00 31.32 C ATOM 371 O ILE A 25 -7.193 11.691 12.780 1.00 62.11 O ATOM 372 CB ILE A 25 -8.034 9.267 14.200 1.00 35.12 C ATOM 373 CG1 ILE A 25 -8.144 8.051 15.132 1.00 22.12 C ATOM 374 CG2 ILE A 25 -8.581 8.915 12.812 1.00 12.42 C ATOM 375 CD1 ILE A 25 -7.487 6.797 14.581 1.00 12.55 C ATOM 0 H ILE A 25 -6.878 10.541 16.051 1.00 25.52 H new ATOM 0 HA ILE A 25 -5.889 8.928 13.956 1.00 70.53 H new ATOM 0 HB ILE A 25 -8.634 10.078 14.612 1.00 35.12 H new ATOM 0 HG12 ILE A 25 -7.689 8.297 16.091 1.00 22.12 H new ATOM 0 HG13 ILE A 25 -9.197 7.845 15.323 1.00 22.12 H new ATOM 0 HG21 ILE A 25 -9.610 8.566 12.904 1.00 12.42 H new ATOM 0 HG22 ILE A 25 -8.553 9.799 12.175 1.00 12.42 H new ATOM 0 HG23 ILE A 25 -7.970 8.129 12.369 1.00 12.42 H new ATOM 0 HD11 ILE A 25 -7.605 5.981 15.294 1.00 12.55 H new ATOM 0 HD12 ILE A 25 -7.958 6.525 13.636 1.00 12.55 H new ATOM 0 HD13 ILE A 25 -6.426 6.984 14.417 1.00 12.55 H new ATOM 387 N ARG A 26 -5.476 10.439 12.031 1.00 64.42 N ATOM 388 CA ARG A 26 -5.398 11.105 10.725 1.00 61.00 C ATOM 389 C ARG A 26 -5.923 10.172 9.625 1.00 14.11 C ATOM 390 O ARG A 26 -6.656 10.590 8.729 1.00 23.41 O ATOM 391 CB ARG A 26 -3.955 11.510 10.405 1.00 41.33 C ATOM 392 CG ARG A 26 -3.334 12.445 11.431 1.00 53.20 C ATOM 393 CD ARG A 26 -1.945 12.897 11.003 1.00 3.32 C ATOM 394 NE ARG A 26 -1.969 13.633 9.741 1.00 4.22 N ATOM 395 CZ ARG A 26 -1.493 14.838 9.589 1.00 51.03 C ATOM 396 NH1 ARG A 26 -1.006 15.484 10.597 1.00 62.34 N1+ ATOM 397 NH2 ARG A 26 -1.520 15.408 8.430 1.00 22.51 N ATOM 0 H ARG A 26 -4.740 9.753 12.197 1.00 64.42 H new ATOM 0 HA ARG A 26 -6.014 12.003 10.765 1.00 61.00 H new ATOM 0 HB2 ARG A 26 -3.344 10.611 10.331 1.00 41.33 H new ATOM 0 HB3 ARG A 26 -3.932 11.992 9.428 1.00 41.33 H new ATOM 0 HG2 ARG A 26 -3.976 13.316 11.567 1.00 53.20 H new ATOM 0 HG3 ARG A 26 -3.273 11.940 12.395 1.00 53.20 H new ATOM 0 HD2 ARG A 26 -1.514 13.527 11.781 1.00 3.32 H new ATOM 0 HD3 ARG A 26 -1.297 12.027 10.902 1.00 3.32 H new ATOM 0 HE ARG A 26 -2.384 13.176 8.929 1.00 4.22 H new ATOM 0 HH11 ARG A 26 -0.992 15.052 11.521 1.00 62.34 H new ATOM 0 HH12 ARG A 26 -0.636 16.426 10.469 1.00 62.34 H new ATOM 0 HH21 ARG A 26 -1.915 14.916 7.629 1.00 22.51 H new ATOM 0 HH22 ARG A 26 -1.147 16.350 8.316 1.00 22.51 H new ATOM 411 N ASN A 27 -5.528 8.903 9.702 1.00 32.13 N ATOM 412 CA ASN A 27 -6.004 7.874 8.771 1.00 20.11 C ATOM 413 C ASN A 27 -6.368 6.588 9.531 1.00 5.32 C ATOM 414 O ASN A 27 -5.489 5.866 10.008 1.00 0.21 O ATOM 415 CB ASN A 27 -4.931 7.590 7.707 1.00 43.13 C ATOM 416 CG ASN A 27 -5.414 6.657 6.605 1.00 21.43 C ATOM 417 OD1 ASN A 27 -6.249 5.783 6.823 1.00 0.41 O ATOM 418 ND2 ASN A 27 -4.890 6.833 5.410 1.00 33.13 N ATOM 0 H ASN A 27 -4.874 8.558 10.405 1.00 32.13 H new ATOM 0 HA ASN A 27 -6.902 8.239 8.272 1.00 20.11 H new ATOM 0 HB2 ASN A 27 -4.611 8.532 7.262 1.00 43.13 H new ATOM 0 HB3 ASN A 27 -4.057 7.151 8.189 1.00 43.13 H new ATOM 0 HD21 ASN A 27 -5.176 6.235 4.635 1.00 33.13 H new ATOM 0 HD22 ASN A 27 -4.198 7.567 5.260 1.00 33.13 H new ATOM 425 N MET A 28 -7.667 6.314 9.643 1.00 71.10 N ATOM 426 CA MET A 28 -8.151 5.126 10.354 1.00 33.12 C ATOM 427 C MET A 28 -7.687 3.826 9.672 1.00 13.32 C ATOM 428 O MET A 28 -7.182 2.920 10.328 1.00 4.31 O ATOM 429 CB MET A 28 -9.685 5.151 10.449 1.00 74.44 C ATOM 430 CG MET A 28 -10.268 4.011 11.278 1.00 55.43 C ATOM 431 SD MET A 28 -12.073 4.041 11.340 1.00 22.24 S ATOM 432 CE MET A 28 -12.404 2.648 12.421 1.00 12.44 C ATOM 0 H MET A 28 -8.406 6.898 9.251 1.00 71.10 H new ATOM 0 HA MET A 28 -7.726 5.147 11.358 1.00 33.12 H new ATOM 0 HB2 MET A 28 -9.998 6.101 10.883 1.00 74.44 H new ATOM 0 HB3 MET A 28 -10.103 5.107 9.443 1.00 74.44 H new ATOM 0 HG2 MET A 28 -9.939 3.059 10.860 1.00 55.43 H new ATOM 0 HG3 MET A 28 -9.873 4.067 12.293 1.00 55.43 H new ATOM 0 HE1 MET A 28 -13.316 2.836 12.987 1.00 12.44 H new ATOM 0 HE2 MET A 28 -12.527 1.745 11.823 1.00 12.44 H new ATOM 0 HE3 MET A 28 -11.570 2.516 13.110 1.00 12.44 H new ATOM 442 N VAL A 29 -7.848 3.750 8.353 1.00 31.10 N ATOM 443 CA VAL A 29 -7.502 2.536 7.601 1.00 5.31 C ATOM 444 C VAL A 29 -6.016 2.165 7.750 1.00 45.33 C ATOM 445 O VAL A 29 -5.684 1.011 8.011 1.00 62.34 O ATOM 446 CB VAL A 29 -7.837 2.691 6.098 1.00 44.34 C ATOM 447 CG1 VAL A 29 -7.435 1.442 5.309 1.00 54.00 C ATOM 448 CG2 VAL A 29 -9.320 3.000 5.911 1.00 50.15 C ATOM 0 H VAL A 29 -8.215 4.510 7.780 1.00 31.10 H new ATOM 0 HA VAL A 29 -8.104 1.733 8.026 1.00 5.31 H new ATOM 0 HB VAL A 29 -7.259 3.528 5.707 1.00 44.34 H new ATOM 0 HG11 VAL A 29 -7.683 1.581 4.257 1.00 54.00 H new ATOM 0 HG12 VAL A 29 -6.362 1.277 5.410 1.00 54.00 H new ATOM 0 HG13 VAL A 29 -7.973 0.577 5.697 1.00 54.00 H new ATOM 0 HG21 VAL A 29 -9.538 3.106 4.848 1.00 50.15 H new ATOM 0 HG22 VAL A 29 -9.916 2.187 6.325 1.00 50.15 H new ATOM 0 HG23 VAL A 29 -9.566 3.929 6.426 1.00 50.15 H new ATOM 458 N ALA A 30 -5.132 3.152 7.610 1.00 34.20 N ATOM 459 CA ALA A 30 -3.684 2.900 7.655 1.00 22.24 C ATOM 460 C ALA A 30 -3.244 2.260 8.983 1.00 15.42 C ATOM 461 O ALA A 30 -2.484 1.289 8.989 1.00 53.43 O ATOM 462 CB ALA A 30 -2.913 4.192 7.411 1.00 2.41 C ATOM 0 H ALA A 30 -5.386 4.129 7.465 1.00 34.20 H new ATOM 0 HA ALA A 30 -3.456 2.188 6.861 1.00 22.24 H new ATOM 0 HB1 ALA A 30 -1.843 3.989 7.447 1.00 2.41 H new ATOM 0 HB2 ALA A 30 -3.174 4.592 6.431 1.00 2.41 H new ATOM 0 HB3 ALA A 30 -3.171 4.920 8.180 1.00 2.41 H new ATOM 468 N VAL A 31 -3.721 2.799 10.109 1.00 3.14 N ATOM 469 CA VAL A 31 -3.415 2.213 11.420 1.00 75.43 C ATOM 470 C VAL A 31 -4.036 0.808 11.561 1.00 72.42 C ATOM 471 O VAL A 31 -3.412 -0.107 12.101 1.00 21.33 O ATOM 472 CB VAL A 31 -3.864 3.128 12.597 1.00 72.15 C ATOM 473 CG1 VAL A 31 -5.375 3.336 12.610 1.00 31.23 C ATOM 474 CG2 VAL A 31 -3.378 2.568 13.935 1.00 45.34 C ATOM 0 H VAL A 31 -4.313 3.629 10.142 1.00 3.14 H new ATOM 0 HA VAL A 31 -2.330 2.121 11.475 1.00 75.43 H new ATOM 0 HB VAL A 31 -3.405 4.105 12.445 1.00 72.15 H new ATOM 0 HG11 VAL A 31 -5.646 3.980 13.446 1.00 31.23 H new ATOM 0 HG12 VAL A 31 -5.686 3.804 11.676 1.00 31.23 H new ATOM 0 HG13 VAL A 31 -5.874 2.373 12.717 1.00 31.23 H new ATOM 0 HG21 VAL A 31 -3.703 3.223 14.743 1.00 45.34 H new ATOM 0 HG22 VAL A 31 -3.795 1.572 14.085 1.00 45.34 H new ATOM 0 HG23 VAL A 31 -2.290 2.509 13.931 1.00 45.34 H new ATOM 484 N LEU A 32 -5.257 0.634 11.050 1.00 73.31 N ATOM 485 CA LEU A 32 -5.929 -0.673 11.081 1.00 24.00 C ATOM 486 C LEU A 32 -5.154 -1.726 10.269 1.00 14.00 C ATOM 487 O LEU A 32 -5.152 -2.913 10.611 1.00 31.25 O ATOM 488 CB LEU A 32 -7.370 -0.558 10.560 1.00 2.45 C ATOM 489 CG LEU A 32 -8.313 0.316 11.406 1.00 42.54 C ATOM 490 CD1 LEU A 32 -9.724 0.309 10.820 1.00 23.30 C ATOM 491 CD2 LEU A 32 -8.322 -0.148 12.864 1.00 11.32 C ATOM 0 H LEU A 32 -5.801 1.377 10.611 1.00 73.31 H new ATOM 0 HA LEU A 32 -5.956 -1.001 12.120 1.00 24.00 H new ATOM 0 HB2 LEU A 32 -7.341 -0.155 9.548 1.00 2.45 H new ATOM 0 HB3 LEU A 32 -7.794 -1.560 10.493 1.00 2.45 H new ATOM 0 HG LEU A 32 -7.942 1.341 11.383 1.00 42.54 H new ATOM 0 HD11 LEU A 32 -10.375 0.933 11.432 1.00 23.30 H new ATOM 0 HD12 LEU A 32 -9.698 0.701 9.803 1.00 23.30 H new ATOM 0 HD13 LEU A 32 -10.107 -0.711 10.806 1.00 23.30 H new ATOM 0 HD21 LEU A 32 -8.995 0.484 13.443 1.00 11.32 H new ATOM 0 HD22 LEU A 32 -8.662 -1.182 12.915 1.00 11.32 H new ATOM 0 HD23 LEU A 32 -7.315 -0.077 13.275 1.00 11.32 H new ATOM 503 N GLU A 33 -4.501 -1.292 9.191 1.00 24.21 N ATOM 504 CA GLU A 33 -3.647 -2.185 8.397 1.00 13.44 C ATOM 505 C GLU A 33 -2.443 -2.662 9.223 1.00 42.44 C ATOM 506 O GLU A 33 -1.966 -3.788 9.060 1.00 1.40 O ATOM 507 CB GLU A 33 -3.167 -1.491 7.113 1.00 42.20 C ATOM 508 CG GLU A 33 -4.299 -1.066 6.178 1.00 34.32 C ATOM 509 CD GLU A 33 -3.802 -0.607 4.816 1.00 52.14 C ATOM 510 OE1 GLU A 33 -2.763 0.083 4.748 1.00 23.12 O ATOM 511 OE2 GLU A 33 -4.445 -0.945 3.798 1.00 25.35 O1- ATOM 0 H GLU A 33 -4.544 -0.333 8.846 1.00 24.21 H new ATOM 0 HA GLU A 33 -4.243 -3.053 8.116 1.00 13.44 H new ATOM 0 HB2 GLU A 33 -2.583 -0.611 7.384 1.00 42.20 H new ATOM 0 HB3 GLU A 33 -2.499 -2.164 6.576 1.00 42.20 H new ATOM 0 HG2 GLU A 33 -4.987 -1.901 6.045 1.00 34.32 H new ATOM 0 HG3 GLU A 33 -4.864 -0.259 6.644 1.00 34.32 H new ATOM 518 N VAL A 34 -1.954 -1.795 10.111 1.00 23.35 N ATOM 519 CA VAL A 34 -0.865 -2.155 11.025 1.00 62.12 C ATOM 520 C VAL A 34 -1.297 -3.295 11.960 1.00 52.01 C ATOM 521 O VAL A 34 -0.610 -4.307 12.070 1.00 63.12 O ATOM 522 CB VAL A 34 -0.405 -0.939 11.868 1.00 74.24 C ATOM 523 CG1 VAL A 34 0.766 -1.305 12.775 1.00 41.20 C ATOM 524 CG2 VAL A 34 -0.033 0.225 10.963 1.00 72.04 C ATOM 0 H VAL A 34 -2.293 -0.839 10.218 1.00 23.35 H new ATOM 0 HA VAL A 34 -0.026 -2.488 10.414 1.00 62.12 H new ATOM 0 HB VAL A 34 -1.238 -0.637 12.503 1.00 74.24 H new ATOM 0 HG11 VAL A 34 1.065 -0.431 13.353 1.00 41.20 H new ATOM 0 HG12 VAL A 34 0.465 -2.103 13.453 1.00 41.20 H new ATOM 0 HG13 VAL A 34 1.605 -1.643 12.167 1.00 41.20 H new ATOM 0 HG21 VAL A 34 0.288 1.071 11.571 1.00 72.04 H new ATOM 0 HG22 VAL A 34 0.779 -0.074 10.301 1.00 72.04 H new ATOM 0 HG23 VAL A 34 -0.899 0.514 10.368 1.00 72.04 H new ATOM 534 N ILE A 35 -2.453 -3.132 12.606 1.00 11.44 N ATOM 535 CA ILE A 35 -3.027 -4.194 13.450 1.00 74.10 C ATOM 536 C ILE A 35 -3.238 -5.485 12.642 1.00 43.22 C ATOM 537 O ILE A 35 -2.904 -6.581 13.098 1.00 2.15 O ATOM 538 CB ILE A 35 -4.377 -3.753 14.096 1.00 41.22 C ATOM 539 CG1 ILE A 35 -4.142 -2.757 15.251 1.00 50.13 C ATOM 540 CG2 ILE A 35 -5.171 -4.964 14.598 1.00 71.12 C ATOM 541 CD1 ILE A 35 -3.521 -1.438 14.840 1.00 63.00 C ATOM 0 H ILE A 35 -3.012 -2.280 12.564 1.00 11.44 H new ATOM 0 HA ILE A 35 -2.311 -4.386 14.249 1.00 74.10 H new ATOM 0 HB ILE A 35 -4.961 -3.254 13.323 1.00 41.22 H new ATOM 0 HG12 ILE A 35 -5.096 -2.556 15.738 1.00 50.13 H new ATOM 0 HG13 ILE A 35 -3.498 -3.229 15.993 1.00 50.13 H new ATOM 0 HG21 ILE A 35 -6.107 -4.626 15.043 1.00 71.12 H new ATOM 0 HG22 ILE A 35 -5.386 -5.630 13.762 1.00 71.12 H new ATOM 0 HG23 ILE A 35 -4.585 -5.498 15.346 1.00 71.12 H new ATOM 0 HD11 ILE A 35 -3.395 -0.806 15.719 1.00 63.00 H new ATOM 0 HD12 ILE A 35 -2.549 -1.621 14.382 1.00 63.00 H new ATOM 0 HD13 ILE A 35 -4.172 -0.937 14.123 1.00 63.00 H new ATOM 553 N SER A 36 -3.769 -5.343 11.428 1.00 14.01 N ATOM 554 CA SER A 36 -3.974 -6.490 10.530 1.00 54.11 C ATOM 555 C SER A 36 -2.654 -7.217 10.248 1.00 34.21 C ATOM 556 O SER A 36 -2.596 -8.448 10.243 1.00 1.43 O ATOM 557 CB SER A 36 -4.600 -6.034 9.205 1.00 63.05 C ATOM 558 OG SER A 36 -4.690 -7.105 8.276 1.00 25.22 O ATOM 0 H SER A 36 -4.066 -4.448 11.040 1.00 14.01 H new ATOM 0 HA SER A 36 -4.653 -7.180 11.031 1.00 54.11 H new ATOM 0 HB2 SER A 36 -5.594 -5.628 9.392 1.00 63.05 H new ATOM 0 HB3 SER A 36 -4.003 -5.229 8.777 1.00 63.05 H new ATOM 0 HG SER A 36 -5.094 -6.783 7.443 1.00 25.22 H new ATOM 564 N SER A 37 -1.594 -6.445 10.017 1.00 24.30 N ATOM 565 CA SER A 37 -0.257 -7.006 9.787 1.00 25.21 C ATOM 566 C SER A 37 0.277 -7.677 11.056 1.00 73.31 C ATOM 567 O SER A 37 0.857 -8.757 11.000 1.00 32.24 O ATOM 568 CB SER A 37 0.714 -5.909 9.333 1.00 10.41 C ATOM 569 OG SER A 37 0.288 -5.308 8.117 1.00 65.43 O ATOM 0 H SER A 37 -1.632 -5.426 9.983 1.00 24.30 H new ATOM 0 HA SER A 37 -0.338 -7.757 9.002 1.00 25.21 H new ATOM 0 HB2 SER A 37 0.793 -5.147 10.109 1.00 10.41 H new ATOM 0 HB3 SER A 37 1.709 -6.334 9.201 1.00 10.41 H new ATOM 0 HG SER A 37 -0.496 -4.746 8.287 1.00 65.43 H new ATOM 575 N LEU A 38 0.058 -7.031 12.199 1.00 1.02 N ATOM 576 CA LEU A 38 0.490 -7.557 13.499 1.00 51.44 C ATOM 577 C LEU A 38 -0.137 -8.932 13.802 1.00 20.12 C ATOM 578 O LEU A 38 0.455 -9.754 14.508 1.00 21.13 O ATOM 579 CB LEU A 38 0.157 -6.538 14.607 1.00 44.21 C ATOM 580 CG LEU A 38 1.303 -5.582 14.998 1.00 53.20 C ATOM 581 CD1 LEU A 38 1.862 -4.856 13.777 1.00 72.02 C ATOM 582 CD2 LEU A 38 0.827 -4.581 16.050 1.00 50.44 C ATOM 0 H LEU A 38 -0.421 -6.132 12.254 1.00 1.02 H new ATOM 0 HA LEU A 38 1.569 -7.707 13.464 1.00 51.44 H new ATOM 0 HB2 LEU A 38 -0.696 -5.941 14.283 1.00 44.21 H new ATOM 0 HB3 LEU A 38 -0.156 -7.085 15.497 1.00 44.21 H new ATOM 0 HG LEU A 38 2.108 -6.180 15.425 1.00 53.20 H new ATOM 0 HD11 LEU A 38 2.668 -4.190 14.087 1.00 72.02 H new ATOM 0 HD12 LEU A 38 2.248 -5.586 13.065 1.00 72.02 H new ATOM 0 HD13 LEU A 38 1.070 -4.273 13.306 1.00 72.02 H new ATOM 0 HD21 LEU A 38 1.647 -3.914 16.315 1.00 50.44 H new ATOM 0 HD22 LEU A 38 -0.001 -3.997 15.648 1.00 50.44 H new ATOM 0 HD23 LEU A 38 0.494 -5.118 16.939 1.00 50.44 H new ATOM 594 N GLU A 39 -1.333 -9.180 13.268 1.00 5.42 N ATOM 595 CA GLU A 39 -1.974 -10.496 13.390 1.00 15.22 C ATOM 596 C GLU A 39 -1.149 -11.591 12.694 1.00 41.30 C ATOM 597 O GLU A 39 -1.048 -12.715 13.189 1.00 54.01 O ATOM 598 CB GLU A 39 -3.387 -10.469 12.796 1.00 44.01 C ATOM 599 CG GLU A 39 -4.384 -9.626 13.583 1.00 22.23 C ATOM 600 CD GLU A 39 -5.777 -9.674 12.979 1.00 73.33 C ATOM 601 OE1 GLU A 39 -6.499 -10.672 13.208 1.00 54.43 O ATOM 602 OE2 GLU A 39 -6.154 -8.733 12.252 1.00 41.11 O1- ATOM 0 H GLU A 39 -1.878 -8.492 12.748 1.00 5.42 H new ATOM 0 HA GLU A 39 -2.033 -10.728 14.453 1.00 15.22 H new ATOM 0 HB2 GLU A 39 -3.332 -10.088 11.776 1.00 44.01 H new ATOM 0 HB3 GLU A 39 -3.762 -11.491 12.735 1.00 44.01 H new ATOM 0 HG2 GLU A 39 -4.424 -9.980 14.613 1.00 22.23 H new ATOM 0 HG3 GLU A 39 -4.039 -8.593 13.615 1.00 22.23 H new ATOM 609 N LYS A 40 -0.554 -11.259 11.549 1.00 4.20 N ATOM 610 CA LYS A 40 0.224 -12.235 10.770 1.00 75.33 C ATOM 611 C LYS A 40 1.725 -12.167 11.109 1.00 54.01 C ATOM 612 O LYS A 40 2.468 -13.126 10.897 1.00 1.41 O ATOM 613 CB LYS A 40 0.029 -11.970 9.269 1.00 64.42 C ATOM 614 CG LYS A 40 -1.424 -11.734 8.854 1.00 11.54 C ATOM 615 CD LYS A 40 -2.317 -12.938 9.154 1.00 63.22 C ATOM 616 CE LYS A 40 -3.752 -12.702 8.690 1.00 61.41 C ATOM 617 NZ LYS A 40 -4.615 -13.895 8.903 1.00 63.13 N1+ ATOM 0 H LYS A 40 -0.592 -10.327 11.137 1.00 4.20 H new ATOM 0 HA LYS A 40 -0.137 -13.231 11.027 1.00 75.33 H new ATOM 0 HB2 LYS A 40 0.621 -11.100 8.986 1.00 64.42 H new ATOM 0 HB3 LYS A 40 0.421 -12.819 8.708 1.00 64.42 H new ATOM 0 HG2 LYS A 40 -1.811 -10.859 9.376 1.00 11.54 H new ATOM 0 HG3 LYS A 40 -1.463 -11.512 7.788 1.00 11.54 H new ATOM 0 HD2 LYS A 40 -1.915 -13.822 8.660 1.00 63.22 H new ATOM 0 HD3 LYS A 40 -2.309 -13.140 10.225 1.00 63.22 H new ATOM 0 HE2 LYS A 40 -4.171 -11.852 9.228 1.00 61.41 H new ATOM 0 HE3 LYS A 40 -3.752 -12.440 7.632 1.00 61.41 H new ATOM 0 HZ1 LYS A 40 -5.580 -13.689 8.574 1.00 63.13 H new ATOM 0 HZ2 LYS A 40 -4.231 -14.701 8.369 1.00 63.13 H new ATOM 0 HZ3 LYS A 40 -4.638 -14.131 9.916 1.00 63.13 H new ATOM 631 N TYR A 41 2.157 -11.027 11.638 1.00 31.53 N ATOM 632 CA TYR A 41 3.557 -10.810 12.023 1.00 32.12 C ATOM 633 C TYR A 41 3.662 -10.064 13.361 1.00 72.31 C ATOM 634 O TYR A 41 3.396 -8.864 13.431 1.00 61.33 O ATOM 635 CB TYR A 41 4.308 -10.026 10.931 1.00 72.05 C ATOM 636 CG TYR A 41 4.824 -10.892 9.797 1.00 10.31 C ATOM 637 CD1 TYR A 41 4.167 -10.954 8.570 1.00 2.32 C ATOM 638 CD2 TYR A 41 5.973 -11.657 9.964 1.00 53.31 C ATOM 639 CE1 TYR A 41 4.646 -11.749 7.546 1.00 55.24 C ATOM 640 CE2 TYR A 41 6.456 -12.450 8.945 1.00 12.01 C ATOM 641 CZ TYR A 41 5.789 -12.496 7.741 1.00 33.24 C ATOM 642 OH TYR A 41 6.266 -13.293 6.726 1.00 73.12 O ATOM 0 H TYR A 41 1.552 -10.225 11.814 1.00 31.53 H new ATOM 0 HA TYR A 41 4.017 -11.791 12.139 1.00 32.12 H new ATOM 0 HB2 TYR A 41 3.643 -9.266 10.521 1.00 72.05 H new ATOM 0 HB3 TYR A 41 5.148 -9.502 11.386 1.00 72.05 H new ATOM 0 HD1 TYR A 41 3.270 -10.372 8.417 1.00 2.32 H new ATOM 0 HD2 TYR A 41 6.496 -11.629 10.908 1.00 53.31 H new ATOM 0 HE1 TYR A 41 4.128 -11.785 6.599 1.00 55.24 H new ATOM 0 HE2 TYR A 41 7.354 -13.033 9.090 1.00 12.01 H new ATOM 0 HH TYR A 41 7.079 -13.752 7.025 1.00 73.12 H new ATOM 652 N PRO A 42 4.049 -10.760 14.445 1.00 11.42 N ATOM 653 CA PRO A 42 4.269 -10.117 15.748 1.00 64.53 C ATOM 654 C PRO A 42 5.571 -9.294 15.789 1.00 53.24 C ATOM 655 O PRO A 42 6.638 -9.775 15.393 1.00 4.45 O ATOM 656 CB PRO A 42 4.345 -11.307 16.712 1.00 73.35 C ATOM 657 CG PRO A 42 4.854 -12.436 15.876 1.00 11.45 C ATOM 658 CD PRO A 42 4.288 -12.219 14.495 1.00 1.33 C ATOM 0 HA PRO A 42 3.484 -9.401 15.992 1.00 64.53 H new ATOM 0 HB2 PRO A 42 5.014 -11.099 17.547 1.00 73.35 H new ATOM 0 HB3 PRO A 42 3.368 -11.537 17.136 1.00 73.35 H new ATOM 0 HG2 PRO A 42 5.944 -12.445 15.854 1.00 11.45 H new ATOM 0 HG3 PRO A 42 4.536 -13.396 16.282 1.00 11.45 H new ATOM 0 HD2 PRO A 42 4.986 -12.538 13.721 1.00 1.33 H new ATOM 0 HD3 PRO A 42 3.367 -12.782 14.346 1.00 1.33 H new ATOM 666 N ILE A 43 5.477 -8.054 16.272 1.00 53.21 N ATOM 667 CA ILE A 43 6.647 -7.180 16.406 1.00 53.32 C ATOM 668 C ILE A 43 7.744 -7.845 17.257 1.00 54.14 C ATOM 669 O ILE A 43 7.451 -8.620 18.173 1.00 15.32 O ATOM 670 CB ILE A 43 6.248 -5.819 17.037 1.00 24.34 C ATOM 671 CG1 ILE A 43 5.155 -5.141 16.192 1.00 24.22 C ATOM 672 CG2 ILE A 43 7.464 -4.902 17.181 1.00 4.13 C ATOM 673 CD1 ILE A 43 4.695 -3.805 16.736 1.00 22.22 C ATOM 0 H ILE A 43 4.601 -7.630 16.578 1.00 53.21 H new ATOM 0 HA ILE A 43 7.042 -7.006 15.405 1.00 53.32 H new ATOM 0 HB ILE A 43 5.852 -6.008 18.035 1.00 24.34 H new ATOM 0 HG12 ILE A 43 5.530 -4.999 15.178 1.00 24.22 H new ATOM 0 HG13 ILE A 43 4.296 -5.809 16.124 1.00 24.22 H new ATOM 0 HG21 ILE A 43 7.156 -3.956 17.626 1.00 4.13 H new ATOM 0 HG22 ILE A 43 8.206 -5.379 17.822 1.00 4.13 H new ATOM 0 HG23 ILE A 43 7.898 -4.717 16.199 1.00 4.13 H new ATOM 0 HD11 ILE A 43 3.925 -3.393 16.084 1.00 22.22 H new ATOM 0 HD12 ILE A 43 4.288 -3.941 17.738 1.00 22.22 H new ATOM 0 HD13 ILE A 43 5.541 -3.118 16.778 1.00 22.22 H new ATOM 685 N THR A 44 9.007 -7.551 16.956 1.00 72.42 N ATOM 686 CA THR A 44 10.117 -8.156 17.692 1.00 21.43 C ATOM 687 C THR A 44 10.193 -7.580 19.114 1.00 4.01 C ATOM 688 O THR A 44 9.731 -6.468 19.370 1.00 34.42 O ATOM 689 CB THR A 44 11.465 -7.938 16.961 1.00 53.05 C ATOM 690 OG1 THR A 44 11.312 -8.225 15.565 1.00 40.25 O ATOM 691 CG2 THR A 44 12.556 -8.834 17.536 1.00 4.43 C ATOM 0 H THR A 44 9.286 -6.906 16.217 1.00 72.42 H new ATOM 0 HA THR A 44 9.931 -9.229 17.749 1.00 21.43 H new ATOM 0 HB THR A 44 11.758 -6.897 17.101 1.00 53.05 H new ATOM 0 HG1 THR A 44 12.167 -8.084 15.106 1.00 40.25 H new ATOM 0 HG21 THR A 44 13.490 -8.658 17.002 1.00 4.43 H new ATOM 0 HG22 THR A 44 12.694 -8.607 18.593 1.00 4.43 H new ATOM 0 HG23 THR A 44 12.265 -9.879 17.424 1.00 4.43 H new ATOM 699 N LYS A 45 10.801 -8.330 20.029 1.00 13.14 N ATOM 700 CA LYS A 45 10.710 -8.022 21.460 1.00 22.42 C ATOM 701 C LYS A 45 11.557 -6.797 21.841 1.00 31.13 C ATOM 702 O LYS A 45 11.094 -5.900 22.546 1.00 34.40 O ATOM 703 CB LYS A 45 11.137 -9.242 22.297 1.00 21.12 C ATOM 704 CG LYS A 45 10.316 -10.520 22.052 1.00 12.51 C ATOM 705 CD LYS A 45 10.704 -11.241 20.751 1.00 31.33 C ATOM 706 CE LYS A 45 9.632 -11.129 19.668 1.00 63.15 C ATOM 707 NZ LYS A 45 8.396 -11.880 20.012 1.00 60.10 N1+ ATOM 0 H LYS A 45 11.361 -9.154 19.810 1.00 13.14 H new ATOM 0 HA LYS A 45 9.669 -7.782 21.676 1.00 22.42 H new ATOM 0 HB2 LYS A 45 12.185 -9.457 22.090 1.00 21.12 H new ATOM 0 HB3 LYS A 45 11.068 -8.981 23.353 1.00 21.12 H new ATOM 0 HG2 LYS A 45 10.453 -11.200 22.893 1.00 12.51 H new ATOM 0 HG3 LYS A 45 9.257 -10.264 22.018 1.00 12.51 H new ATOM 0 HD2 LYS A 45 11.638 -10.824 20.375 1.00 31.33 H new ATOM 0 HD3 LYS A 45 10.888 -12.294 20.966 1.00 31.33 H new ATOM 0 HE2 LYS A 45 9.384 -10.079 19.514 1.00 63.15 H new ATOM 0 HE3 LYS A 45 10.031 -11.504 18.726 1.00 63.15 H new ATOM 0 HZ1 LYS A 45 7.598 -11.506 19.461 1.00 60.10 H new ATOM 0 HZ2 LYS A 45 8.529 -12.887 19.789 1.00 60.10 H new ATOM 0 HZ3 LYS A 45 8.196 -11.773 21.027 1.00 60.10 H new ATOM 721 N GLU A 46 12.793 -6.765 21.357 1.00 74.03 N ATOM 722 CA GLU A 46 13.710 -5.655 21.633 1.00 3.15 C ATOM 723 C GLU A 46 13.248 -4.359 20.947 1.00 52.41 C ATOM 724 O GLU A 46 13.405 -3.265 21.489 1.00 74.13 O ATOM 725 CB GLU A 46 15.120 -6.027 21.168 1.00 11.21 C ATOM 726 CG GLU A 46 16.182 -4.981 21.478 1.00 43.35 C ATOM 727 CD GLU A 46 17.540 -5.368 20.923 1.00 72.42 C ATOM 728 OE1 GLU A 46 18.289 -6.095 21.611 1.00 53.13 O ATOM 729 OE2 GLU A 46 17.854 -4.974 19.780 1.00 63.30 O1- ATOM 0 H GLU A 46 13.189 -7.497 20.768 1.00 74.03 H new ATOM 0 HA GLU A 46 13.716 -5.475 22.708 1.00 3.15 H new ATOM 0 HB2 GLU A 46 15.407 -6.968 21.637 1.00 11.21 H new ATOM 0 HB3 GLU A 46 15.101 -6.199 20.092 1.00 11.21 H new ATOM 0 HG2 GLU A 46 15.879 -4.022 21.059 1.00 43.35 H new ATOM 0 HG3 GLU A 46 16.256 -4.848 22.557 1.00 43.35 H new ATOM 736 N ALA A 47 12.658 -4.499 19.758 1.00 10.23 N ATOM 737 CA ALA A 47 12.203 -3.352 18.963 1.00 1.31 C ATOM 738 C ALA A 47 11.200 -2.477 19.728 1.00 10.44 C ATOM 739 O ALA A 47 11.176 -1.253 19.559 1.00 23.12 O ATOM 740 CB ALA A 47 11.587 -3.835 17.653 1.00 4.22 C ATOM 0 H ALA A 47 12.482 -5.403 19.320 1.00 10.23 H new ATOM 0 HA ALA A 47 13.076 -2.735 18.751 1.00 1.31 H new ATOM 0 HB1 ALA A 47 11.252 -2.977 17.070 1.00 4.22 H new ATOM 0 HB2 ALA A 47 12.332 -4.392 17.084 1.00 4.22 H new ATOM 0 HB3 ALA A 47 10.736 -4.482 17.868 1.00 4.22 H new ATOM 746 N LEU A 48 10.375 -3.106 20.566 1.00 54.35 N ATOM 747 CA LEU A 48 9.384 -2.380 21.366 1.00 61.44 C ATOM 748 C LEU A 48 10.069 -1.350 22.279 1.00 60.32 C ATOM 749 O LEU A 48 9.638 -0.200 22.363 1.00 33.32 O ATOM 750 CB LEU A 48 8.549 -3.385 22.190 1.00 74.41 C ATOM 751 CG LEU A 48 7.332 -2.811 22.956 1.00 74.11 C ATOM 752 CD1 LEU A 48 6.323 -3.916 23.260 1.00 24.30 C ATOM 753 CD2 LEU A 48 7.758 -2.131 24.260 1.00 72.22 C ATOM 0 H LEU A 48 10.372 -4.116 20.709 1.00 54.35 H new ATOM 0 HA LEU A 48 8.717 -1.834 20.699 1.00 61.44 H new ATOM 0 HB2 LEU A 48 8.191 -4.164 21.516 1.00 74.41 H new ATOM 0 HB3 LEU A 48 9.210 -3.866 22.911 1.00 74.41 H new ATOM 0 HG LEU A 48 6.867 -2.062 22.315 1.00 74.11 H new ATOM 0 HD11 LEU A 48 5.474 -3.495 23.799 1.00 24.30 H new ATOM 0 HD12 LEU A 48 5.977 -4.359 22.326 1.00 24.30 H new ATOM 0 HD13 LEU A 48 6.797 -4.683 23.872 1.00 24.30 H new ATOM 0 HD21 LEU A 48 6.878 -1.740 24.771 1.00 72.22 H new ATOM 0 HD22 LEU A 48 8.258 -2.856 24.902 1.00 72.22 H new ATOM 0 HD23 LEU A 48 8.442 -1.312 24.037 1.00 72.22 H new ATOM 765 N GLU A 49 11.134 -1.768 22.956 1.00 53.41 N ATOM 766 CA GLU A 49 11.940 -0.860 23.781 1.00 1.32 C ATOM 767 C GLU A 49 12.794 0.090 22.921 1.00 44.53 C ATOM 768 O GLU A 49 12.835 1.299 23.157 1.00 53.14 O ATOM 769 CB GLU A 49 12.840 -1.665 24.730 1.00 4.42 C ATOM 770 CG GLU A 49 12.084 -2.369 25.854 1.00 71.01 C ATOM 771 CD GLU A 49 11.395 -1.388 26.792 1.00 63.54 C ATOM 772 OE1 GLU A 49 10.156 -1.245 26.719 1.00 1.35 O ATOM 773 OE2 GLU A 49 12.095 -0.733 27.595 1.00 54.41 O1- ATOM 0 H GLU A 49 11.464 -2.733 22.952 1.00 53.41 H new ATOM 0 HA GLU A 49 11.252 -0.249 24.365 1.00 1.32 H new ATOM 0 HB2 GLU A 49 13.387 -2.410 24.151 1.00 4.42 H new ATOM 0 HB3 GLU A 49 13.580 -0.995 25.168 1.00 4.42 H new ATOM 0 HG2 GLU A 49 11.340 -3.040 25.424 1.00 71.01 H new ATOM 0 HG3 GLU A 49 12.778 -2.986 26.424 1.00 71.01 H new ATOM 780 N GLU A 50 13.454 -0.473 21.911 1.00 34.20 N ATOM 781 CA GLU A 50 14.415 0.269 21.078 1.00 72.02 C ATOM 782 C GLU A 50 13.777 1.496 20.401 1.00 74.43 C ATOM 783 O GLU A 50 14.264 2.619 20.531 1.00 3.41 O ATOM 784 CB GLU A 50 14.990 -0.664 19.998 1.00 44.44 C ATOM 785 CG GLU A 50 16.147 -0.065 19.201 1.00 14.25 C ATOM 786 CD GLU A 50 17.441 -0.003 19.998 1.00 70.20 C ATOM 787 OE1 GLU A 50 17.589 0.899 20.848 1.00 51.10 O ATOM 788 OE2 GLU A 50 18.315 -0.870 19.785 1.00 4.03 O1- ATOM 0 H GLU A 50 13.343 -1.451 21.643 1.00 34.20 H new ATOM 0 HA GLU A 50 15.207 0.627 21.736 1.00 72.02 H new ATOM 0 HB2 GLU A 50 15.330 -1.584 20.473 1.00 44.44 H new ATOM 0 HB3 GLU A 50 14.192 -0.937 19.308 1.00 44.44 H new ATOM 0 HG2 GLU A 50 16.308 -0.658 18.301 1.00 14.25 H new ATOM 0 HG3 GLU A 50 15.877 0.940 18.876 1.00 14.25 H new ATOM 795 N THR A 51 12.680 1.274 19.685 1.00 53.34 N ATOM 796 CA THR A 51 12.014 2.346 18.931 1.00 54.52 C ATOM 797 C THR A 51 10.664 2.734 19.555 1.00 52.51 C ATOM 798 O THR A 51 9.890 3.492 18.968 1.00 45.14 O ATOM 799 CB THR A 51 11.810 1.941 17.452 1.00 53.25 C ATOM 800 OG1 THR A 51 11.087 0.707 17.369 1.00 14.44 O ATOM 801 CG2 THR A 51 13.149 1.795 16.734 1.00 64.24 C ATOM 0 H THR A 51 12.228 0.363 19.607 1.00 53.34 H new ATOM 0 HA THR A 51 12.670 3.215 18.975 1.00 54.52 H new ATOM 0 HB THR A 51 11.237 2.731 16.966 1.00 53.25 H new ATOM 0 HG1 THR A 51 11.104 0.258 18.240 1.00 14.44 H new ATOM 0 HG21 THR A 51 12.976 1.510 15.696 1.00 64.24 H new ATOM 0 HG22 THR A 51 13.684 2.744 16.765 1.00 64.24 H new ATOM 0 HG23 THR A 51 13.744 1.027 17.227 1.00 64.24 H new ATOM 809 N ARG A 52 10.391 2.194 20.746 1.00 74.34 N ATOM 810 CA ARG A 52 9.217 2.577 21.547 1.00 71.01 C ATOM 811 C ARG A 52 7.870 2.216 20.894 1.00 14.54 C ATOM 812 O ARG A 52 6.909 2.986 20.955 1.00 42.52 O ATOM 813 CB ARG A 52 9.286 4.064 21.934 1.00 61.31 C ATOM 814 CG ARG A 52 10.326 4.336 23.019 1.00 12.12 C ATOM 815 CD ARG A 52 9.961 3.642 24.335 1.00 4.51 C ATOM 816 NE ARG A 52 11.143 3.231 25.095 1.00 11.42 N ATOM 817 CZ ARG A 52 11.183 2.173 25.867 1.00 72.05 C ATOM 818 NH1 ARG A 52 10.119 1.467 26.065 1.00 73.41 N1+ ATOM 819 NH2 ARG A 52 12.285 1.826 26.453 1.00 71.13 N ATOM 0 H ARG A 52 10.974 1.481 21.184 1.00 74.34 H new ATOM 0 HA ARG A 52 9.258 1.978 22.457 1.00 71.01 H new ATOM 0 HB2 ARG A 52 9.524 4.656 21.050 1.00 61.31 H new ATOM 0 HB3 ARG A 52 8.307 4.392 22.283 1.00 61.31 H new ATOM 0 HG2 ARG A 52 11.303 3.989 22.683 1.00 12.12 H new ATOM 0 HG3 ARG A 52 10.408 5.410 23.184 1.00 12.12 H new ATOM 0 HD2 ARG A 52 9.358 4.316 24.943 1.00 4.51 H new ATOM 0 HD3 ARG A 52 9.346 2.767 24.123 1.00 4.51 H new ATOM 0 HE ARG A 52 11.985 3.802 25.019 1.00 11.42 H new ATOM 0 HH11 ARG A 52 9.241 1.732 25.619 1.00 73.41 H new ATOM 0 HH12 ARG A 52 10.157 0.645 26.667 1.00 73.41 H new ATOM 0 HH21 ARG A 52 13.132 2.378 26.315 1.00 71.13 H new ATOM 0 HH22 ARG A 52 12.306 1.001 27.052 1.00 71.13 H new ATOM 833 N LEU A 53 7.791 1.018 20.311 1.00 72.42 N ATOM 834 CA LEU A 53 6.499 0.464 19.865 1.00 1.04 C ATOM 835 C LEU A 53 5.528 0.284 21.049 1.00 31.13 C ATOM 836 O LEU A 53 4.366 -0.063 20.858 1.00 52.10 O ATOM 837 CB LEU A 53 6.687 -0.882 19.138 1.00 34.34 C ATOM 838 CG LEU A 53 6.988 -0.793 17.631 1.00 15.14 C ATOM 839 CD1 LEU A 53 5.838 -0.118 16.888 1.00 51.11 C ATOM 840 CD2 LEU A 53 8.298 -0.060 17.379 1.00 24.01 C ATOM 0 H LEU A 53 8.594 0.414 20.135 1.00 72.42 H new ATOM 0 HA LEU A 53 6.069 1.181 19.166 1.00 1.04 H new ATOM 0 HB2 LEU A 53 7.501 -1.423 19.620 1.00 34.34 H new ATOM 0 HB3 LEU A 53 5.784 -1.476 19.274 1.00 34.34 H new ATOM 0 HG LEU A 53 7.091 -1.808 17.248 1.00 15.14 H new ATOM 0 HD11 LEU A 53 6.073 -0.066 15.825 1.00 51.11 H new ATOM 0 HD12 LEU A 53 4.924 -0.695 17.030 1.00 51.11 H new ATOM 0 HD13 LEU A 53 5.695 0.890 17.278 1.00 51.11 H new ATOM 0 HD21 LEU A 53 8.487 -0.011 16.307 1.00 24.01 H new ATOM 0 HD22 LEU A 53 8.233 0.950 17.783 1.00 24.01 H new ATOM 0 HD23 LEU A 53 9.113 -0.594 17.867 1.00 24.01 H new ATOM 852 N GLY A 54 6.012 0.523 22.267 1.00 41.41 N ATOM 853 CA GLY A 54 5.159 0.455 23.447 1.00 23.12 C ATOM 854 C GLY A 54 3.978 1.419 23.378 1.00 53.43 C ATOM 855 O GLY A 54 2.898 1.122 23.893 1.00 2.43 O ATOM 0 H GLY A 54 6.984 0.764 22.460 1.00 41.41 H new ATOM 0 HA2 GLY A 54 4.786 -0.563 23.562 1.00 23.12 H new ATOM 0 HA3 GLY A 54 5.753 0.678 24.333 1.00 23.12 H new ATOM 859 N LYS A 55 4.171 2.576 22.733 1.00 63.22 N ATOM 860 CA LYS A 55 3.069 3.524 22.522 1.00 62.31 C ATOM 861 C LYS A 55 1.924 2.858 21.746 1.00 0.13 C ATOM 862 O LYS A 55 0.755 3.135 21.997 1.00 65.44 O ATOM 863 CB LYS A 55 3.545 4.785 21.776 1.00 0.53 C ATOM 864 CG LYS A 55 2.403 5.730 21.387 1.00 14.40 C ATOM 865 CD LYS A 55 2.895 7.005 20.699 1.00 51.22 C ATOM 866 CE LYS A 55 3.662 7.915 21.653 1.00 51.33 C ATOM 867 NZ LYS A 55 3.978 9.231 21.034 1.00 0.21 N1+ ATOM 0 H LYS A 55 5.068 2.876 22.352 1.00 63.22 H new ATOM 0 HA LYS A 55 2.705 3.827 23.504 1.00 62.31 H new ATOM 0 HB2 LYS A 55 4.254 5.324 22.404 1.00 0.53 H new ATOM 0 HB3 LYS A 55 4.081 4.485 20.876 1.00 0.53 H new ATOM 0 HG2 LYS A 55 1.715 5.207 20.723 1.00 14.40 H new ATOM 0 HG3 LYS A 55 1.840 5.999 22.281 1.00 14.40 H new ATOM 0 HD2 LYS A 55 3.537 6.738 19.859 1.00 51.22 H new ATOM 0 HD3 LYS A 55 2.043 7.547 20.289 1.00 51.22 H new ATOM 0 HE2 LYS A 55 3.073 8.071 22.557 1.00 51.33 H new ATOM 0 HE3 LYS A 55 4.587 7.425 21.956 1.00 51.33 H new ATOM 0 HZ1 LYS A 55 4.484 9.825 21.721 1.00 0.21 H new ATOM 0 HZ2 LYS A 55 4.575 9.086 20.195 1.00 0.21 H new ATOM 0 HZ3 LYS A 55 3.095 9.703 20.752 1.00 0.21 H new ATOM 881 N LEU A 56 2.273 1.957 20.824 1.00 65.24 N ATOM 882 CA LEU A 56 1.280 1.227 20.028 1.00 41.14 C ATOM 883 C LEU A 56 0.291 0.475 20.933 1.00 55.40 C ATOM 884 O LEU A 56 -0.881 0.350 20.603 1.00 63.22 O ATOM 885 CB LEU A 56 1.991 0.263 19.053 1.00 63.52 C ATOM 886 CG LEU A 56 1.101 -0.523 18.057 1.00 12.24 C ATOM 887 CD1 LEU A 56 0.517 -1.786 18.694 1.00 30.52 C ATOM 888 CD2 LEU A 56 -0.014 0.366 17.496 1.00 22.21 C ATOM 0 H LEU A 56 3.240 1.714 20.609 1.00 65.24 H new ATOM 0 HA LEU A 56 0.704 1.945 19.445 1.00 41.14 H new ATOM 0 HB2 LEU A 56 2.715 0.839 18.477 1.00 63.52 H new ATOM 0 HB3 LEU A 56 2.555 -0.459 19.643 1.00 63.52 H new ATOM 0 HG LEU A 56 1.739 -0.836 17.230 1.00 12.24 H new ATOM 0 HD11 LEU A 56 -0.101 -2.309 17.964 1.00 30.52 H new ATOM 0 HD12 LEU A 56 1.328 -2.439 19.018 1.00 30.52 H new ATOM 0 HD13 LEU A 56 -0.093 -1.511 19.555 1.00 30.52 H new ATOM 0 HD21 LEU A 56 -0.623 -0.210 16.800 1.00 22.21 H new ATOM 0 HD22 LEU A 56 -0.639 0.725 18.314 1.00 22.21 H new ATOM 0 HD23 LEU A 56 0.426 1.216 16.975 1.00 22.21 H new ATOM 900 N ILE A 57 0.763 -0.010 22.081 1.00 22.15 N ATOM 901 CA ILE A 57 -0.106 -0.724 23.025 1.00 14.32 C ATOM 902 C ILE A 57 -1.271 0.170 23.491 1.00 71.45 C ATOM 903 O ILE A 57 -2.429 -0.256 23.517 1.00 44.23 O ATOM 904 CB ILE A 57 0.702 -1.207 24.259 1.00 43.34 C ATOM 905 CG1 ILE A 57 1.828 -2.166 23.821 1.00 64.54 C ATOM 906 CG2 ILE A 57 -0.215 -1.873 25.288 1.00 35.33 C ATOM 907 CD1 ILE A 57 2.709 -2.645 24.960 1.00 41.30 C ATOM 0 H ILE A 57 1.734 0.076 22.381 1.00 22.15 H new ATOM 0 HA ILE A 57 -0.514 -1.590 22.504 1.00 14.32 H new ATOM 0 HB ILE A 57 1.157 -0.337 24.734 1.00 43.34 H new ATOM 0 HG12 ILE A 57 1.383 -3.032 23.330 1.00 64.54 H new ATOM 0 HG13 ILE A 57 2.451 -1.665 23.080 1.00 64.54 H new ATOM 0 HG21 ILE A 57 0.376 -2.202 26.143 1.00 35.33 H new ATOM 0 HG22 ILE A 57 -0.968 -1.158 25.621 1.00 35.33 H new ATOM 0 HG23 ILE A 57 -0.707 -2.733 24.834 1.00 35.33 H new ATOM 0 HD11 ILE A 57 3.476 -3.315 24.570 1.00 41.30 H new ATOM 0 HD12 ILE A 57 3.184 -1.788 25.437 1.00 41.30 H new ATOM 0 HD13 ILE A 57 2.101 -3.177 25.692 1.00 41.30 H new ATOM 919 N ASN A 58 -0.960 1.414 23.848 1.00 44.31 N ATOM 920 CA ASN A 58 -1.991 2.401 24.190 1.00 60.34 C ATOM 921 C ASN A 58 -2.741 2.867 22.930 1.00 52.12 C ATOM 922 O ASN A 58 -3.968 3.014 22.928 1.00 21.54 O ATOM 923 CB ASN A 58 -1.359 3.604 24.898 1.00 0.22 C ATOM 924 CG ASN A 58 -2.392 4.608 25.378 1.00 51.34 C ATOM 925 OD1 ASN A 58 -3.516 4.250 25.728 1.00 2.53 O ATOM 926 ND2 ASN A 58 -2.023 5.870 25.398 1.00 52.12 N ATOM 0 H ASN A 58 -0.005 1.766 23.909 1.00 44.31 H new ATOM 0 HA ASN A 58 -2.706 1.927 24.862 1.00 60.34 H new ATOM 0 HB2 ASN A 58 -0.775 3.254 25.749 1.00 0.22 H new ATOM 0 HB3 ASN A 58 -0.666 4.099 24.217 1.00 0.22 H new ATOM 0 HD21 ASN A 58 -2.677 6.588 25.711 1.00 52.12 H new ATOM 0 HD22 ASN A 58 -1.083 6.131 25.101 1.00 52.12 H new ATOM 933 N ASP A 59 -1.978 3.075 21.861 1.00 71.40 N ATOM 934 CA ASP A 59 -2.492 3.595 20.593 1.00 22.32 C ATOM 935 C ASP A 59 -3.598 2.695 20.012 1.00 21.03 C ATOM 936 O ASP A 59 -4.630 3.181 19.536 1.00 72.24 O ATOM 937 CB ASP A 59 -1.325 3.710 19.604 1.00 43.34 C ATOM 938 CG ASP A 59 -1.736 4.307 18.276 1.00 74.03 C ATOM 939 OD1 ASP A 59 -2.169 3.550 17.382 1.00 73.21 O ATOM 940 OD2 ASP A 59 -1.665 5.541 18.128 1.00 22.53 O1- ATOM 0 H ASP A 59 -0.976 2.886 21.848 1.00 71.40 H new ATOM 0 HA ASP A 59 -2.938 4.574 20.769 1.00 22.32 H new ATOM 0 HB2 ASP A 59 -0.540 4.324 20.046 1.00 43.34 H new ATOM 0 HB3 ASP A 59 -0.899 2.721 19.436 1.00 43.34 H new ATOM 945 N VAL A 60 -3.378 1.384 20.065 1.00 14.32 N ATOM 946 CA VAL A 60 -4.373 0.417 19.600 1.00 55.30 C ATOM 947 C VAL A 60 -5.509 0.265 20.620 1.00 70.25 C ATOM 948 O VAL A 60 -6.671 0.159 20.251 1.00 33.14 O ATOM 949 CB VAL A 60 -3.739 -0.974 19.308 1.00 53.23 C ATOM 950 CG1 VAL A 60 -3.175 -1.613 20.576 1.00 21.44 C ATOM 951 CG2 VAL A 60 -4.753 -1.904 18.641 1.00 53.30 C ATOM 0 H VAL A 60 -2.520 0.965 20.425 1.00 14.32 H new ATOM 0 HA VAL A 60 -4.780 0.807 18.667 1.00 55.30 H new ATOM 0 HB VAL A 60 -2.909 -0.817 18.620 1.00 53.23 H new ATOM 0 HG11 VAL A 60 -2.741 -2.583 20.333 1.00 21.44 H new ATOM 0 HG12 VAL A 60 -2.406 -0.966 20.998 1.00 21.44 H new ATOM 0 HG13 VAL A 60 -3.976 -1.746 21.303 1.00 21.44 H new ATOM 0 HG21 VAL A 60 -4.287 -2.870 18.446 1.00 53.30 H new ATOM 0 HG22 VAL A 60 -5.610 -2.040 19.300 1.00 53.30 H new ATOM 0 HG23 VAL A 60 -5.085 -1.465 17.700 1.00 53.30 H new ATOM 961 N ARG A 61 -5.174 0.303 21.907 1.00 70.24 N ATOM 962 CA ARG A 61 -6.171 0.121 22.967 1.00 3.13 C ATOM 963 C ARG A 61 -7.328 1.130 22.839 1.00 54.40 C ATOM 964 O ARG A 61 -8.495 0.775 23.011 1.00 43.30 O ATOM 965 CB ARG A 61 -5.504 0.256 24.343 1.00 3.01 C ATOM 966 CG ARG A 61 -6.462 0.080 25.519 1.00 11.22 C ATOM 967 CD ARG A 61 -5.744 0.230 26.856 1.00 71.44 C ATOM 968 NE ARG A 61 -5.087 1.531 26.984 1.00 62.23 N ATOM 969 CZ ARG A 61 -4.639 2.015 28.110 1.00 53.41 C ATOM 970 NH1 ARG A 61 -4.773 1.354 29.214 1.00 71.31 N1+ ATOM 971 NH2 ARG A 61 -4.064 3.170 28.131 1.00 21.00 N ATOM 0 H ARG A 61 -4.224 0.457 22.244 1.00 70.24 H new ATOM 0 HA ARG A 61 -6.590 -0.880 22.863 1.00 3.13 H new ATOM 0 HB2 ARG A 61 -4.707 -0.484 24.423 1.00 3.01 H new ATOM 0 HB3 ARG A 61 -5.036 1.238 24.413 1.00 3.01 H new ATOM 0 HG2 ARG A 61 -7.262 0.817 25.450 1.00 11.22 H new ATOM 0 HG3 ARG A 61 -6.929 -0.903 25.465 1.00 11.22 H new ATOM 0 HD2 ARG A 61 -6.460 0.104 27.668 1.00 71.44 H new ATOM 0 HD3 ARG A 61 -5.002 -0.562 26.960 1.00 71.44 H new ATOM 0 HE ARG A 61 -4.972 2.094 26.141 1.00 62.23 H new ATOM 0 HH11 ARG A 61 -5.233 0.444 29.211 1.00 71.31 H new ATOM 0 HH12 ARG A 61 -4.418 1.743 30.088 1.00 71.31 H new ATOM 0 HH21 ARG A 61 -3.960 3.704 27.268 1.00 21.00 H new ATOM 0 HH22 ARG A 61 -3.713 3.549 29.011 1.00 21.00 H new ATOM 985 N LYS A 62 -7.000 2.383 22.527 1.00 32.11 N ATOM 986 CA LYS A 62 -8.021 3.429 22.373 1.00 30.12 C ATOM 987 C LYS A 62 -8.592 3.487 20.941 1.00 73.15 C ATOM 988 O LYS A 62 -9.782 3.738 20.752 1.00 34.14 O ATOM 989 CB LYS A 62 -7.424 4.800 22.724 1.00 64.44 C ATOM 990 CG LYS A 62 -6.913 4.917 24.157 1.00 10.40 C ATOM 991 CD LYS A 62 -6.297 6.292 24.417 1.00 70.23 C ATOM 992 CE LYS A 62 -5.862 6.464 25.868 1.00 45.15 C ATOM 993 NZ LYS A 62 -7.010 6.413 26.810 1.00 53.45 N1+ ATOM 0 H LYS A 62 -6.043 2.701 22.376 1.00 32.11 H new ATOM 0 HA LYS A 62 -8.836 3.179 23.053 1.00 30.12 H new ATOM 0 HB2 LYS A 62 -6.602 5.011 22.040 1.00 64.44 H new ATOM 0 HB3 LYS A 62 -8.182 5.566 22.558 1.00 64.44 H new ATOM 0 HG2 LYS A 62 -7.734 4.747 24.853 1.00 10.40 H new ATOM 0 HG3 LYS A 62 -6.170 4.142 24.345 1.00 10.40 H new ATOM 0 HD2 LYS A 62 -5.437 6.432 23.763 1.00 70.23 H new ATOM 0 HD3 LYS A 62 -7.021 7.066 24.162 1.00 70.23 H new ATOM 0 HE2 LYS A 62 -5.148 5.682 26.126 1.00 45.15 H new ATOM 0 HE3 LYS A 62 -5.345 7.417 25.980 1.00 45.15 H new ATOM 0 HZ1 LYS A 62 -6.702 6.733 27.750 1.00 53.45 H new ATOM 0 HZ2 LYS A 62 -7.770 7.033 26.465 1.00 53.45 H new ATOM 0 HZ3 LYS A 62 -7.362 5.437 26.875 1.00 53.45 H new ATOM 1007 N LYS A 63 -7.740 3.258 19.938 1.00 34.31 N ATOM 1008 CA LYS A 63 -8.124 3.453 18.527 1.00 4.13 C ATOM 1009 C LYS A 63 -8.296 2.135 17.742 1.00 22.13 C ATOM 1010 O LYS A 63 -8.315 2.146 16.509 1.00 50.15 O ATOM 1011 CB LYS A 63 -7.096 4.362 17.840 1.00 2.25 C ATOM 1012 CG LYS A 63 -6.950 5.721 18.525 1.00 62.25 C ATOM 1013 CD LYS A 63 -6.062 6.690 17.744 1.00 73.03 C ATOM 1014 CE LYS A 63 -4.585 6.310 17.775 1.00 50.02 C ATOM 1015 NZ LYS A 63 -4.298 5.028 17.075 1.00 14.31 N1+ ATOM 0 H LYS A 63 -6.781 2.938 20.071 1.00 34.31 H new ATOM 0 HA LYS A 63 -9.106 3.925 18.527 1.00 4.13 H new ATOM 0 HB2 LYS A 63 -6.128 3.862 17.827 1.00 2.25 H new ATOM 0 HB3 LYS A 63 -7.390 4.514 16.802 1.00 2.25 H new ATOM 0 HG2 LYS A 63 -7.937 6.165 18.654 1.00 62.25 H new ATOM 0 HG3 LYS A 63 -6.533 5.577 19.522 1.00 62.25 H new ATOM 0 HD2 LYS A 63 -6.399 6.727 16.708 1.00 73.03 H new ATOM 0 HD3 LYS A 63 -6.181 7.693 18.154 1.00 73.03 H new ATOM 0 HE2 LYS A 63 -4.001 7.107 17.315 1.00 50.02 H new ATOM 0 HE3 LYS A 63 -4.257 6.232 18.812 1.00 50.02 H new ATOM 0 HZ1 LYS A 63 -3.370 5.087 16.610 1.00 14.31 H new ATOM 0 HZ2 LYS A 63 -4.291 4.250 17.765 1.00 14.31 H new ATOM 0 HZ3 LYS A 63 -5.032 4.851 16.360 1.00 14.31 H new ATOM 1029 N THR A 64 -8.418 1.012 18.447 1.00 63.24 N ATOM 1030 CA THR A 64 -8.539 -0.308 17.792 1.00 62.44 C ATOM 1031 C THR A 64 -9.813 -0.446 16.951 1.00 44.21 C ATOM 1032 O THR A 64 -10.791 0.283 17.137 1.00 44.24 O ATOM 1033 CB THR A 64 -8.525 -1.472 18.819 1.00 64.05 C ATOM 1034 OG1 THR A 64 -8.742 -2.731 18.157 1.00 63.51 O ATOM 1035 CG2 THR A 64 -9.588 -1.268 19.895 1.00 44.23 C ATOM 0 H THR A 64 -8.437 0.979 19.466 1.00 63.24 H new ATOM 0 HA THR A 64 -7.669 -0.370 17.139 1.00 62.44 H new ATOM 0 HB THR A 64 -7.545 -1.482 19.296 1.00 64.05 H new ATOM 0 HG1 THR A 64 -9.498 -3.194 18.575 1.00 63.51 H new ATOM 0 HG21 THR A 64 -9.555 -2.098 20.601 1.00 44.23 H new ATOM 0 HG22 THR A 64 -9.396 -0.334 20.424 1.00 44.23 H new ATOM 0 HG23 THR A 64 -10.573 -1.226 19.430 1.00 44.23 H new ATOM 1043 N LYS A 65 -9.785 -1.408 16.031 1.00 2.32 N ATOM 1044 CA LYS A 65 -10.940 -1.736 15.193 1.00 24.24 C ATOM 1045 C LYS A 65 -12.126 -2.144 16.084 1.00 71.44 C ATOM 1046 O LYS A 65 -13.186 -1.515 16.074 1.00 60.22 O ATOM 1047 CB LYS A 65 -10.554 -2.882 14.234 1.00 52.24 C ATOM 1048 CG LYS A 65 -11.140 -2.780 12.825 1.00 75.21 C ATOM 1049 CD LYS A 65 -12.640 -3.069 12.778 1.00 54.24 C ATOM 1050 CE LYS A 65 -13.157 -3.028 11.344 1.00 22.42 C ATOM 1051 NZ LYS A 65 -14.602 -3.361 11.251 1.00 60.33 N1+ ATOM 0 H LYS A 65 -8.963 -1.982 15.844 1.00 2.32 H new ATOM 0 HA LYS A 65 -11.237 -0.867 14.605 1.00 24.24 H new ATOM 0 HB2 LYS A 65 -9.467 -2.918 14.156 1.00 52.24 H new ATOM 0 HB3 LYS A 65 -10.873 -3.826 14.675 1.00 52.24 H new ATOM 0 HG2 LYS A 65 -10.956 -1.780 12.433 1.00 75.21 H new ATOM 0 HG3 LYS A 65 -10.620 -3.480 12.170 1.00 75.21 H new ATOM 0 HD2 LYS A 65 -12.840 -4.048 13.213 1.00 54.24 H new ATOM 0 HD3 LYS A 65 -13.175 -2.337 13.383 1.00 54.24 H new ATOM 0 HE2 LYS A 65 -12.989 -2.034 10.929 1.00 22.42 H new ATOM 0 HE3 LYS A 65 -12.586 -3.729 10.735 1.00 22.42 H new ATOM 0 HZ1 LYS A 65 -14.905 -3.319 10.257 1.00 60.33 H new ATOM 0 HZ2 LYS A 65 -14.762 -4.319 11.622 1.00 60.33 H new ATOM 0 HZ3 LYS A 65 -15.152 -2.678 11.809 1.00 60.33 H new ATOM 1065 N ASN A 66 -11.917 -3.198 16.868 1.00 43.43 N ATOM 1066 CA ASN A 66 -12.901 -3.666 17.846 1.00 53.32 C ATOM 1067 C ASN A 66 -12.264 -3.742 19.249 1.00 43.40 C ATOM 1068 O ASN A 66 -11.229 -4.386 19.435 1.00 40.14 O ATOM 1069 CB ASN A 66 -13.449 -5.033 17.411 1.00 34.05 C ATOM 1070 CG ASN A 66 -14.330 -5.670 18.465 1.00 62.55 C ATOM 1071 OD1 ASN A 66 -13.859 -6.435 19.290 1.00 64.44 O ATOM 1072 ND2 ASN A 66 -15.609 -5.354 18.453 1.00 34.11 N ATOM 0 H ASN A 66 -11.062 -3.753 16.845 1.00 43.43 H new ATOM 0 HA ASN A 66 -13.730 -2.960 17.894 1.00 53.32 H new ATOM 0 HB2 ASN A 66 -14.019 -4.915 16.489 1.00 34.05 H new ATOM 0 HB3 ASN A 66 -12.616 -5.700 17.188 1.00 34.05 H new ATOM 0 HD21 ASN A 66 -16.239 -5.753 19.149 1.00 34.11 H new ATOM 0 HD22 ASN A 66 -15.969 -4.711 17.748 1.00 34.11 H new ATOM 1079 N GLU A 67 -12.876 -3.073 20.229 1.00 74.21 N ATOM 1080 CA GLU A 67 -12.319 -3.009 21.595 1.00 71.54 C ATOM 1081 C GLU A 67 -12.266 -4.394 22.269 1.00 32.23 C ATOM 1082 O GLU A 67 -11.336 -4.689 23.022 1.00 52.00 O ATOM 1083 CB GLU A 67 -13.110 -2.021 22.477 1.00 63.10 C ATOM 1084 CG GLU A 67 -14.560 -2.418 22.748 1.00 12.50 C ATOM 1085 CD GLU A 67 -15.443 -2.338 21.513 1.00 32.30 C ATOM 1086 OE1 GLU A 67 -15.663 -3.378 20.860 1.00 15.52 O ATOM 1087 OE2 GLU A 67 -15.919 -1.230 21.188 1.00 72.12 O1- ATOM 0 H GLU A 67 -13.754 -2.568 20.110 1.00 74.21 H new ATOM 0 HA GLU A 67 -11.295 -2.648 21.495 1.00 71.54 H new ATOM 0 HB2 GLU A 67 -12.594 -1.915 23.431 1.00 63.10 H new ATOM 0 HB3 GLU A 67 -13.100 -1.042 21.999 1.00 63.10 H new ATOM 0 HG2 GLU A 67 -14.585 -3.435 23.139 1.00 12.50 H new ATOM 0 HG3 GLU A 67 -14.969 -1.769 23.522 1.00 12.50 H new ATOM 1094 N GLU A 68 -13.263 -5.237 21.999 1.00 34.32 N ATOM 1095 CA GLU A 68 -13.280 -6.615 22.513 1.00 53.25 C ATOM 1096 C GLU A 68 -12.019 -7.373 22.067 1.00 53.33 C ATOM 1097 O GLU A 68 -11.421 -8.136 22.831 1.00 63.33 O ATOM 1098 CB GLU A 68 -14.526 -7.350 22.001 1.00 24.21 C ATOM 1099 CG GLU A 68 -15.838 -6.630 22.294 1.00 11.10 C ATOM 1100 CD GLU A 68 -16.994 -7.154 21.456 1.00 21.20 C ATOM 1101 OE1 GLU A 68 -17.421 -8.308 21.673 1.00 72.30 O ATOM 1102 OE2 GLU A 68 -17.483 -6.416 20.574 1.00 13.52 O1- ATOM 0 H GLU A 68 -14.072 -4.994 21.427 1.00 34.32 H new ATOM 0 HA GLU A 68 -13.302 -6.576 23.602 1.00 53.25 H new ATOM 0 HB2 GLU A 68 -14.434 -7.492 20.924 1.00 24.21 H new ATOM 0 HB3 GLU A 68 -14.560 -8.342 22.451 1.00 24.21 H new ATOM 0 HG2 GLU A 68 -16.081 -6.741 23.351 1.00 11.10 H new ATOM 0 HG3 GLU A 68 -15.712 -5.564 22.106 1.00 11.10 H new ATOM 1109 N LEU A 69 -11.621 -7.135 20.821 1.00 41.14 N ATOM 1110 CA LEU A 69 -10.425 -7.747 20.237 1.00 62.32 C ATOM 1111 C LEU A 69 -9.161 -7.351 21.024 1.00 43.23 C ATOM 1112 O LEU A 69 -8.249 -8.156 21.182 1.00 73.42 O ATOM 1113 CB LEU A 69 -10.312 -7.338 18.751 1.00 45.40 C ATOM 1114 CG LEU A 69 -9.255 -8.082 17.897 1.00 54.24 C ATOM 1115 CD1 LEU A 69 -9.601 -7.981 16.412 1.00 63.22 C ATOM 1116 CD2 LEU A 69 -7.847 -7.532 18.138 1.00 53.41 C ATOM 0 H LEU A 69 -12.117 -6.512 20.184 1.00 41.14 H new ATOM 0 HA LEU A 69 -10.514 -8.832 20.297 1.00 62.32 H new ATOM 0 HB2 LEU A 69 -11.287 -7.482 18.285 1.00 45.40 H new ATOM 0 HB3 LEU A 69 -10.092 -6.271 18.709 1.00 45.40 H new ATOM 0 HG LEU A 69 -9.268 -9.129 18.201 1.00 54.24 H new ATOM 0 HD11 LEU A 69 -8.848 -8.509 15.826 1.00 63.22 H new ATOM 0 HD12 LEU A 69 -10.579 -8.429 16.235 1.00 63.22 H new ATOM 0 HD13 LEU A 69 -9.623 -6.933 16.114 1.00 63.22 H new ATOM 0 HD21 LEU A 69 -7.133 -8.078 17.522 1.00 53.41 H new ATOM 0 HD22 LEU A 69 -7.819 -6.475 17.875 1.00 53.41 H new ATOM 0 HD23 LEU A 69 -7.585 -7.651 19.189 1.00 53.41 H new ATOM 1128 N ALA A 70 -9.123 -6.116 21.528 1.00 70.12 N ATOM 1129 CA ALA A 70 -7.951 -5.608 22.265 1.00 54.44 C ATOM 1130 C ALA A 70 -7.583 -6.501 23.470 1.00 35.12 C ATOM 1131 O ALA A 70 -6.407 -6.771 23.720 1.00 64.21 O ATOM 1132 CB ALA A 70 -8.206 -4.176 22.725 1.00 44.41 C ATOM 0 H ALA A 70 -9.887 -5.445 21.442 1.00 70.12 H new ATOM 0 HA ALA A 70 -7.102 -5.627 21.582 1.00 54.44 H new ATOM 0 HB1 ALA A 70 -7.336 -3.808 23.269 1.00 44.41 H new ATOM 0 HB2 ALA A 70 -8.387 -3.542 21.857 1.00 44.41 H new ATOM 0 HB3 ALA A 70 -9.078 -4.154 23.379 1.00 44.41 H new ATOM 1138 N LYS A 71 -8.593 -6.963 24.204 1.00 30.52 N ATOM 1139 CA LYS A 71 -8.382 -7.880 25.337 1.00 73.43 C ATOM 1140 C LYS A 71 -7.742 -9.197 24.862 1.00 54.34 C ATOM 1141 O LYS A 71 -6.895 -9.784 25.542 1.00 22.34 O ATOM 1142 CB LYS A 71 -9.722 -8.156 26.037 1.00 51.21 C ATOM 1143 CG LYS A 71 -10.418 -6.887 26.522 1.00 60.12 C ATOM 1144 CD LYS A 71 -11.800 -7.174 27.105 1.00 13.23 C ATOM 1145 CE LYS A 71 -12.489 -5.893 27.564 1.00 30.12 C ATOM 1146 NZ LYS A 71 -13.868 -6.146 28.058 1.00 1.45 N1+ ATOM 0 H LYS A 71 -9.570 -6.720 24.039 1.00 30.52 H new ATOM 0 HA LYS A 71 -7.700 -7.410 26.045 1.00 73.43 H new ATOM 0 HB2 LYS A 71 -10.382 -8.685 25.349 1.00 51.21 H new ATOM 0 HB3 LYS A 71 -9.552 -8.817 26.887 1.00 51.21 H new ATOM 0 HG2 LYS A 71 -9.800 -6.402 27.278 1.00 60.12 H new ATOM 0 HG3 LYS A 71 -10.514 -6.187 25.692 1.00 60.12 H new ATOM 0 HD2 LYS A 71 -12.416 -7.672 26.356 1.00 13.23 H new ATOM 0 HD3 LYS A 71 -11.706 -7.860 27.947 1.00 13.23 H new ATOM 0 HE2 LYS A 71 -11.900 -5.429 28.355 1.00 30.12 H new ATOM 0 HE3 LYS A 71 -12.525 -5.185 26.736 1.00 30.12 H new ATOM 0 HZ1 LYS A 71 -14.299 -5.249 28.360 1.00 1.45 H new ATOM 0 HZ2 LYS A 71 -14.438 -6.565 27.296 1.00 1.45 H new ATOM 0 HZ3 LYS A 71 -13.833 -6.801 28.865 1.00 1.45 H new ATOM 1160 N ARG A 72 -8.166 -9.645 23.683 1.00 23.40 N ATOM 1161 CA ARG A 72 -7.597 -10.830 23.025 1.00 22.41 C ATOM 1162 C ARG A 72 -6.174 -10.525 22.509 1.00 73.43 C ATOM 1163 O ARG A 72 -5.285 -11.379 22.541 1.00 23.43 O ATOM 1164 CB ARG A 72 -8.539 -11.251 21.873 1.00 51.41 C ATOM 1165 CG ARG A 72 -8.230 -12.595 21.199 1.00 2.34 C ATOM 1166 CD ARG A 72 -7.069 -12.518 20.206 1.00 41.02 C ATOM 1167 NE ARG A 72 -7.214 -13.494 19.127 1.00 33.14 N ATOM 1168 CZ ARG A 72 -6.257 -14.252 18.675 1.00 20.04 C ATOM 1169 NH1 ARG A 72 -5.095 -14.270 19.247 1.00 3.33 N1+ ATOM 1170 NH2 ARG A 72 -6.486 -15.024 17.665 1.00 34.01 N ATOM 0 H ARG A 72 -8.914 -9.200 23.152 1.00 23.40 H new ATOM 0 HA ARG A 72 -7.513 -11.653 23.735 1.00 22.41 H new ATOM 0 HB2 ARG A 72 -9.557 -11.288 22.260 1.00 51.41 H new ATOM 0 HB3 ARG A 72 -8.516 -10.473 21.110 1.00 51.41 H new ATOM 0 HG2 ARG A 72 -7.995 -13.333 21.966 1.00 2.34 H new ATOM 0 HG3 ARG A 72 -9.121 -12.947 20.680 1.00 2.34 H new ATOM 0 HD2 ARG A 72 -7.017 -11.514 19.784 1.00 41.02 H new ATOM 0 HD3 ARG A 72 -6.130 -12.692 20.730 1.00 41.02 H new ATOM 0 HE ARG A 72 -8.134 -13.588 18.696 1.00 33.14 H new ATOM 0 HH11 ARG A 72 -4.919 -13.685 20.064 1.00 3.33 H new ATOM 0 HH12 ARG A 72 -4.355 -14.869 18.881 1.00 3.33 H new ATOM 0 HH21 ARG A 72 -7.409 -15.035 17.231 1.00 34.01 H new ATOM 0 HH22 ARG A 72 -5.744 -15.622 17.302 1.00 34.01 H new ATOM 1184 N ALA A 73 -5.973 -9.292 22.044 1.00 65.13 N ATOM 1185 CA ALA A 73 -4.683 -8.840 21.505 1.00 62.15 C ATOM 1186 C ALA A 73 -3.562 -8.905 22.555 1.00 14.52 C ATOM 1187 O ALA A 73 -2.401 -9.140 22.223 1.00 74.15 O ATOM 1188 CB ALA A 73 -4.812 -7.424 20.950 1.00 34.01 C ATOM 0 H ALA A 73 -6.698 -8.575 22.029 1.00 65.13 H new ATOM 0 HA ALA A 73 -4.409 -9.519 20.698 1.00 62.15 H new ATOM 0 HB1 ALA A 73 -3.850 -7.100 20.553 1.00 34.01 H new ATOM 0 HB2 ALA A 73 -5.556 -7.412 20.153 1.00 34.01 H new ATOM 0 HB3 ALA A 73 -5.123 -6.748 21.747 1.00 34.01 H new ATOM 1194 N LYS A 74 -3.922 -8.706 23.824 1.00 42.14 N ATOM 1195 CA LYS A 74 -2.948 -8.719 24.927 1.00 12.35 C ATOM 1196 C LYS A 74 -2.097 -10.003 24.910 1.00 4.51 C ATOM 1197 O LYS A 74 -0.901 -9.973 25.216 1.00 62.42 O ATOM 1198 CB LYS A 74 -3.672 -8.579 26.275 1.00 45.01 C ATOM 1199 CG LYS A 74 -2.732 -8.450 27.473 1.00 53.20 C ATOM 1200 CD LYS A 74 -3.490 -8.322 28.794 1.00 24.30 C ATOM 1201 CE LYS A 74 -4.390 -7.088 28.825 1.00 75.32 C ATOM 1202 NZ LYS A 74 -5.088 -6.941 30.130 1.00 11.14 N1+ ATOM 0 H LYS A 74 -4.883 -8.533 24.118 1.00 42.14 H new ATOM 0 HA LYS A 74 -2.277 -7.871 24.792 1.00 12.35 H new ATOM 0 HB2 LYS A 74 -4.320 -7.704 26.239 1.00 45.01 H new ATOM 0 HB3 LYS A 74 -4.315 -9.446 26.422 1.00 45.01 H new ATOM 0 HG2 LYS A 74 -2.078 -9.321 27.515 1.00 53.20 H new ATOM 0 HG3 LYS A 74 -2.092 -7.578 27.338 1.00 53.20 H new ATOM 0 HD2 LYS A 74 -4.095 -9.215 28.952 1.00 24.30 H new ATOM 0 HD3 LYS A 74 -2.777 -8.270 29.617 1.00 24.30 H new ATOM 0 HE2 LYS A 74 -3.792 -6.198 28.631 1.00 75.32 H new ATOM 0 HE3 LYS A 74 -5.127 -7.157 28.025 1.00 75.32 H new ATOM 0 HZ1 LYS A 74 -5.688 -6.092 30.109 1.00 11.14 H new ATOM 0 HZ2 LYS A 74 -5.679 -7.779 30.304 1.00 11.14 H new ATOM 0 HZ3 LYS A 74 -4.385 -6.850 30.891 1.00 11.14 H new ATOM 1216 N LYS A 75 -2.720 -11.124 24.548 1.00 35.43 N ATOM 1217 CA LYS A 75 -2.008 -12.403 24.400 1.00 54.44 C ATOM 1218 C LYS A 75 -0.832 -12.273 23.410 1.00 72.14 C ATOM 1219 O LYS A 75 0.267 -12.784 23.648 1.00 23.10 O ATOM 1220 CB LYS A 75 -2.976 -13.489 23.903 1.00 15.40 C ATOM 1221 CG LYS A 75 -4.194 -13.702 24.800 1.00 4.23 C ATOM 1222 CD LYS A 75 -3.809 -14.281 26.159 1.00 73.52 C ATOM 1223 CE LYS A 75 -5.037 -14.583 27.009 1.00 55.12 C ATOM 1224 NZ LYS A 75 -4.677 -15.219 28.303 1.00 42.23 N1+ ATOM 0 H LYS A 75 -3.719 -11.177 24.350 1.00 35.43 H new ATOM 0 HA LYS A 75 -1.611 -12.682 25.376 1.00 54.44 H new ATOM 0 HB2 LYS A 75 -3.318 -13.225 22.902 1.00 15.40 H new ATOM 0 HB3 LYS A 75 -2.434 -14.431 23.816 1.00 15.40 H new ATOM 0 HG2 LYS A 75 -4.709 -12.752 24.943 1.00 4.23 H new ATOM 0 HG3 LYS A 75 -4.896 -14.374 24.305 1.00 4.23 H new ATOM 0 HD2 LYS A 75 -3.232 -15.194 26.016 1.00 73.52 H new ATOM 0 HD3 LYS A 75 -3.165 -13.577 26.686 1.00 73.52 H new ATOM 0 HE2 LYS A 75 -5.582 -13.659 27.199 1.00 55.12 H new ATOM 0 HE3 LYS A 75 -5.708 -15.241 26.456 1.00 55.12 H new ATOM 0 HZ1 LYS A 75 -5.541 -15.407 28.850 1.00 42.23 H new ATOM 0 HZ2 LYS A 75 -4.179 -16.114 28.123 1.00 42.23 H new ATOM 0 HZ3 LYS A 75 -4.058 -14.581 28.843 1.00 42.23 H new ATOM 1238 N LEU A 76 -1.074 -11.573 22.303 1.00 24.43 N ATOM 1239 CA LEU A 76 -0.036 -11.312 21.302 1.00 11.04 C ATOM 1240 C LEU A 76 1.042 -10.378 21.872 1.00 13.12 C ATOM 1241 O LEU A 76 2.236 -10.589 21.663 1.00 14.53 O ATOM 1242 CB LEU A 76 -0.659 -10.694 20.041 1.00 12.04 C ATOM 1243 CG LEU A 76 0.321 -10.400 18.892 1.00 55.01 C ATOM 1244 CD1 LEU A 76 0.964 -11.690 18.388 1.00 31.02 C ATOM 1245 CD2 LEU A 76 -0.385 -9.664 17.755 1.00 44.32 C ATOM 0 H LEU A 76 -1.984 -11.174 22.074 1.00 24.43 H new ATOM 0 HA LEU A 76 0.433 -12.259 21.036 1.00 11.04 H new ATOM 0 HB2 LEU A 76 -1.432 -11.368 19.672 1.00 12.04 H new ATOM 0 HB3 LEU A 76 -1.153 -9.764 20.320 1.00 12.04 H new ATOM 0 HG LEU A 76 1.112 -9.754 19.274 1.00 55.01 H new ATOM 0 HD11 LEU A 76 1.653 -11.460 17.576 1.00 31.02 H new ATOM 0 HD12 LEU A 76 1.509 -12.167 19.202 1.00 31.02 H new ATOM 0 HD13 LEU A 76 0.189 -12.365 18.026 1.00 31.02 H new ATOM 0 HD21 LEU A 76 0.326 -9.466 16.953 1.00 44.32 H new ATOM 0 HD22 LEU A 76 -1.200 -10.279 17.374 1.00 44.32 H new ATOM 0 HD23 LEU A 76 -0.786 -8.721 18.126 1.00 44.32 H new ATOM 1257 N LEU A 77 0.610 -9.354 22.609 1.00 23.14 N ATOM 1258 CA LEU A 77 1.536 -8.419 23.266 1.00 41.23 C ATOM 1259 C LEU A 77 2.501 -9.156 24.213 1.00 20.14 C ATOM 1260 O LEU A 77 3.681 -8.812 24.303 1.00 60.35 O ATOM 1261 CB LEU A 77 0.756 -7.337 24.035 1.00 53.32 C ATOM 1262 CG LEU A 77 0.207 -6.170 23.186 1.00 23.33 C ATOM 1263 CD1 LEU A 77 -0.641 -6.671 22.020 1.00 61.54 C ATOM 1264 CD2 LEU A 77 -0.599 -5.213 24.059 1.00 72.25 C ATOM 0 H LEU A 77 -0.376 -9.147 22.769 1.00 23.14 H new ATOM 0 HA LEU A 77 2.130 -7.939 22.488 1.00 41.23 H new ATOM 0 HB2 LEU A 77 -0.080 -7.814 24.546 1.00 53.32 H new ATOM 0 HB3 LEU A 77 1.408 -6.925 24.805 1.00 53.32 H new ATOM 0 HG LEU A 77 1.059 -5.635 22.767 1.00 23.33 H new ATOM 0 HD11 LEU A 77 -1.009 -5.821 21.446 1.00 61.54 H new ATOM 0 HD12 LEU A 77 -0.034 -7.308 21.376 1.00 61.54 H new ATOM 0 HD13 LEU A 77 -1.486 -7.243 22.404 1.00 61.54 H new ATOM 0 HD21 LEU A 77 -0.980 -4.395 23.447 1.00 72.25 H new ATOM 0 HD22 LEU A 77 -1.435 -5.748 24.510 1.00 72.25 H new ATOM 0 HD23 LEU A 77 0.041 -4.811 24.845 1.00 72.25 H new ATOM 1276 N ARG A 78 1.996 -10.176 24.910 1.00 32.31 N ATOM 1277 CA ARG A 78 2.840 -11.019 25.771 1.00 31.31 C ATOM 1278 C ARG A 78 3.975 -11.671 24.962 1.00 64.53 C ATOM 1279 O ARG A 78 5.081 -11.867 25.465 1.00 54.02 O ATOM 1280 CB ARG A 78 2.000 -12.106 26.459 1.00 11.43 C ATOM 1281 CG ARG A 78 0.937 -11.570 27.414 1.00 15.11 C ATOM 1282 CD ARG A 78 1.548 -10.804 28.585 1.00 60.25 C ATOM 1283 NE ARG A 78 0.525 -10.379 29.536 1.00 54.50 N ATOM 1284 CZ ARG A 78 0.746 -9.624 30.579 1.00 62.41 C ATOM 1285 NH1 ARG A 78 1.940 -9.215 30.868 1.00 51.21 N1+ ATOM 1286 NH2 ARG A 78 -0.240 -9.302 31.351 1.00 30.25 N ATOM 0 H ARG A 78 1.011 -10.441 24.898 1.00 32.31 H new ATOM 0 HA ARG A 78 3.280 -10.377 26.534 1.00 31.31 H new ATOM 0 HB2 ARG A 78 1.512 -12.710 25.694 1.00 11.43 H new ATOM 0 HB3 ARG A 78 2.667 -12.768 27.011 1.00 11.43 H new ATOM 0 HG2 ARG A 78 0.258 -10.915 26.868 1.00 15.11 H new ATOM 0 HG3 ARG A 78 0.342 -12.400 27.796 1.00 15.11 H new ATOM 0 HD2 ARG A 78 2.279 -11.434 29.092 1.00 60.25 H new ATOM 0 HD3 ARG A 78 2.084 -9.932 28.211 1.00 60.25 H new ATOM 0 HE ARG A 78 -0.431 -10.694 29.374 1.00 54.50 H new ATOM 0 HH11 ARG A 78 2.727 -9.482 30.277 1.00 51.21 H new ATOM 0 HH12 ARG A 78 2.093 -8.626 31.687 1.00 51.21 H new ATOM 0 HH21 ARG A 78 -1.181 -9.637 31.143 1.00 30.25 H new ATOM 0 HH22 ARG A 78 -0.077 -8.713 32.168 1.00 30.25 H new ATOM 1300 N SER A 79 3.695 -11.985 23.695 1.00 14.42 N ATOM 1301 CA SER A 79 4.704 -12.567 22.795 1.00 23.51 C ATOM 1302 C SER A 79 5.880 -11.599 22.578 1.00 34.41 C ATOM 1303 O SER A 79 6.981 -12.014 22.208 1.00 24.14 O ATOM 1304 CB SER A 79 4.076 -12.940 21.442 1.00 13.54 C ATOM 1305 OG SER A 79 2.977 -13.829 21.603 1.00 43.22 O ATOM 0 H SER A 79 2.780 -11.848 23.266 1.00 14.42 H new ATOM 0 HA SER A 79 5.085 -13.472 23.269 1.00 23.51 H new ATOM 0 HB2 SER A 79 3.742 -12.036 20.933 1.00 13.54 H new ATOM 0 HB3 SER A 79 4.830 -13.404 20.806 1.00 13.54 H new ATOM 0 HG SER A 79 2.600 -14.045 20.725 1.00 43.22 H new ATOM 1311 N TRP A 80 5.636 -10.304 22.789 1.00 51.15 N ATOM 1312 CA TRP A 80 6.701 -9.293 22.741 1.00 23.41 C ATOM 1313 C TRP A 80 7.318 -9.113 24.139 1.00 23.42 C ATOM 1314 O TRP A 80 8.537 -9.090 24.307 1.00 1.04 O ATOM 1315 CB TRP A 80 6.154 -7.934 22.264 1.00 44.14 C ATOM 1316 CG TRP A 80 5.213 -7.997 21.090 1.00 23.41 C ATOM 1317 CD1 TRP A 80 5.074 -9.006 20.178 1.00 4.43 C ATOM 1318 CD2 TRP A 80 4.285 -6.978 20.700 1.00 52.13 C ATOM 1319 NE1 TRP A 80 4.103 -8.681 19.262 1.00 54.45 N ATOM 1320 CE2 TRP A 80 3.609 -7.440 19.559 1.00 34.04 C ATOM 1321 CE3 TRP A 80 3.959 -5.720 21.214 1.00 63.34 C ATOM 1322 CZ2 TRP A 80 2.626 -6.689 18.920 1.00 45.24 C ATOM 1323 CZ3 TRP A 80 2.986 -4.972 20.581 1.00 14.42 C ATOM 1324 CH2 TRP A 80 2.328 -5.458 19.443 1.00 34.41 C ATOM 0 H TRP A 80 4.711 -9.928 22.995 1.00 51.15 H new ATOM 0 HA TRP A 80 7.458 -9.640 22.037 1.00 23.41 H new ATOM 0 HB2 TRP A 80 5.639 -7.456 23.097 1.00 44.14 H new ATOM 0 HB3 TRP A 80 6.996 -7.294 22.000 1.00 44.14 H new ATOM 0 HD1 TRP A 80 5.644 -9.924 20.178 1.00 4.43 H new ATOM 0 HE1 TRP A 80 3.799 -9.270 18.486 1.00 54.45 H new ATOM 0 HE3 TRP A 80 4.460 -5.339 22.092 1.00 63.34 H new ATOM 0 HZ2 TRP A 80 2.117 -7.063 18.044 1.00 45.24 H new ATOM 0 HZ3 TRP A 80 2.728 -3.998 20.969 1.00 14.42 H new ATOM 0 HH2 TRP A 80 1.571 -4.850 18.969 1.00 34.41 H new ATOM 1335 N GLN A 81 6.441 -9.004 25.137 1.00 14.40 N ATOM 1336 CA GLN A 81 6.826 -8.759 26.536 1.00 5.31 C ATOM 1337 C GLN A 81 7.706 -9.875 27.130 1.00 75.03 C ATOM 1338 O GLN A 81 8.397 -9.658 28.126 1.00 11.24 O ATOM 1339 CB GLN A 81 5.565 -8.587 27.394 1.00 2.33 C ATOM 1340 CG GLN A 81 4.698 -7.391 27.004 1.00 34.50 C ATOM 1341 CD GLN A 81 5.381 -6.056 27.248 1.00 44.23 C ATOM 1342 OE1 GLN A 81 5.270 -5.473 28.321 1.00 3.21 O ATOM 1343 NE2 GLN A 81 6.096 -5.562 26.257 1.00 54.04 N ATOM 0 H GLN A 81 5.433 -9.083 25.001 1.00 14.40 H new ATOM 0 HA GLN A 81 7.425 -7.848 26.543 1.00 5.31 H new ATOM 0 HB2 GLN A 81 4.965 -9.494 27.323 1.00 2.33 H new ATOM 0 HB3 GLN A 81 5.861 -8.481 28.438 1.00 2.33 H new ATOM 0 HG2 GLN A 81 4.434 -7.470 25.950 1.00 34.50 H new ATOM 0 HG3 GLN A 81 3.767 -7.425 27.570 1.00 34.50 H new ATOM 0 HE21 GLN A 81 6.168 -6.072 25.377 1.00 54.04 H new ATOM 0 HE22 GLN A 81 6.577 -4.670 26.371 1.00 54.04 H new ATOM 1352 N LYS A 82 7.694 -11.057 26.514 1.00 45.41 N ATOM 1353 CA LYS A 82 8.403 -12.229 27.057 1.00 53.04 C ATOM 1354 C LYS A 82 9.924 -11.995 27.202 1.00 35.44 C ATOM 1355 O LYS A 82 10.636 -12.825 27.769 1.00 31.14 O ATOM 1356 CB LYS A 82 8.115 -13.466 26.178 1.00 44.54 C ATOM 1357 CG LYS A 82 8.706 -13.422 24.762 1.00 32.21 C ATOM 1358 CD LYS A 82 10.147 -13.937 24.717 1.00 30.44 C ATOM 1359 CE LYS A 82 10.708 -13.937 23.301 1.00 24.31 C ATOM 1360 NZ LYS A 82 12.127 -14.376 23.262 1.00 21.13 N1+ ATOM 0 H LYS A 82 7.203 -11.234 25.638 1.00 45.41 H new ATOM 0 HA LYS A 82 8.025 -12.403 28.064 1.00 53.04 H new ATOM 0 HB2 LYS A 82 8.501 -14.349 26.687 1.00 44.54 H new ATOM 0 HB3 LYS A 82 7.035 -13.590 26.099 1.00 44.54 H new ATOM 0 HG2 LYS A 82 8.087 -14.021 24.094 1.00 32.21 H new ATOM 0 HG3 LYS A 82 8.677 -12.398 24.390 1.00 32.21 H new ATOM 0 HD2 LYS A 82 10.774 -13.315 25.356 1.00 30.44 H new ATOM 0 HD3 LYS A 82 10.184 -14.948 25.122 1.00 30.44 H new ATOM 0 HE2 LYS A 82 10.108 -14.596 22.674 1.00 24.31 H new ATOM 0 HE3 LYS A 82 10.627 -12.935 22.880 1.00 24.31 H new ATOM 0 HZ1 LYS A 82 12.468 -14.361 22.280 1.00 21.13 H new ATOM 0 HZ2 LYS A 82 12.705 -13.733 23.839 1.00 21.13 H new ATOM 0 HZ3 LYS A 82 12.202 -15.342 23.640 1.00 21.13 H new ATOM 1374 N LEU A 83 10.418 -10.870 26.679 1.00 41.14 N ATOM 1375 CA LEU A 83 11.823 -10.482 26.860 1.00 32.12 C ATOM 1376 C LEU A 83 12.020 -9.739 28.195 1.00 40.13 C ATOM 1377 O LEU A 83 13.065 -9.855 28.840 1.00 11.10 O ATOM 1378 CB LEU A 83 12.286 -9.599 25.688 1.00 32.51 C ATOM 1379 CG LEU A 83 13.766 -9.172 25.719 1.00 45.01 C ATOM 1380 CD1 LEU A 83 14.685 -10.391 25.666 1.00 14.24 C ATOM 1381 CD2 LEU A 83 14.075 -8.214 24.568 1.00 3.33 C ATOM 0 H LEU A 83 9.868 -10.211 26.127 1.00 41.14 H new ATOM 0 HA LEU A 83 12.427 -11.389 26.881 1.00 32.12 H new ATOM 0 HB2 LEU A 83 12.101 -10.135 24.757 1.00 32.51 H new ATOM 0 HB3 LEU A 83 11.668 -8.701 25.667 1.00 32.51 H new ATOM 0 HG LEU A 83 13.949 -8.650 26.658 1.00 45.01 H new ATOM 0 HD11 LEU A 83 15.725 -10.064 25.689 1.00 14.24 H new ATOM 0 HD12 LEU A 83 14.487 -11.033 26.524 1.00 14.24 H new ATOM 0 HD13 LEU A 83 14.500 -10.947 24.747 1.00 14.24 H new ATOM 0 HD21 LEU A 83 15.125 -7.924 24.608 1.00 3.33 H new ATOM 0 HD22 LEU A 83 13.871 -8.708 23.618 1.00 3.33 H new ATOM 0 HD23 LEU A 83 13.450 -7.325 24.656 1.00 3.33 H new ATOM 1393 N ILE A 84 11.004 -8.974 28.605 1.00 50.22 N ATOM 1394 CA ILE A 84 11.052 -8.218 29.866 1.00 3.15 C ATOM 1395 C ILE A 84 10.203 -8.883 30.968 1.00 24.31 C ATOM 1396 O ILE A 84 10.109 -8.374 32.088 1.00 51.14 O ATOM 1397 CB ILE A 84 10.581 -6.753 29.667 1.00 34.14 C ATOM 1398 CG1 ILE A 84 9.122 -6.706 29.177 1.00 45.42 C ATOM 1399 CG2 ILE A 84 11.506 -6.028 28.688 1.00 54.35 C ATOM 1400 CD1 ILE A 84 8.583 -5.298 28.998 1.00 54.12 C ATOM 0 H ILE A 84 10.135 -8.860 28.083 1.00 50.22 H new ATOM 0 HA ILE A 84 12.094 -8.217 30.184 1.00 3.15 H new ATOM 0 HB ILE A 84 10.627 -6.243 30.629 1.00 34.14 H new ATOM 0 HG12 ILE A 84 9.050 -7.237 28.228 1.00 45.42 H new ATOM 0 HG13 ILE A 84 8.492 -7.239 29.889 1.00 45.42 H new ATOM 0 HG21 ILE A 84 11.164 -5.001 28.557 1.00 54.35 H new ATOM 0 HG22 ILE A 84 12.522 -6.025 29.082 1.00 54.35 H new ATOM 0 HG23 ILE A 84 11.491 -6.541 27.726 1.00 54.35 H new ATOM 0 HD11 ILE A 84 7.551 -5.345 28.651 1.00 54.12 H new ATOM 0 HD12 ILE A 84 8.622 -4.770 29.951 1.00 54.12 H new ATOM 0 HD13 ILE A 84 9.189 -4.767 28.264 1.00 54.12 H new ATOM 1412 N GLU A 85 9.573 -10.009 30.638 1.00 25.45 N ATOM 1413 CA GLU A 85 8.824 -10.811 31.618 1.00 43.24 C ATOM 1414 C GLU A 85 9.377 -12.246 31.688 1.00 41.32 C ATOM 1415 O GLU A 85 9.864 -12.779 30.690 1.00 24.01 O ATOM 1416 CB GLU A 85 7.322 -10.838 31.270 1.00 34.00 C ATOM 1417 CG GLU A 85 6.633 -9.483 31.394 1.00 63.42 C ATOM 1418 CD GLU A 85 5.114 -9.582 31.301 1.00 75.20 C ATOM 1419 OE1 GLU A 85 4.544 -9.209 30.256 1.00 75.42 O ATOM 1420 OE2 GLU A 85 4.485 -10.031 32.283 1.00 34.34 O1- ATOM 0 H GLU A 85 9.564 -10.393 29.693 1.00 25.45 H new ATOM 0 HA GLU A 85 8.946 -10.344 32.595 1.00 43.24 H new ATOM 0 HB2 GLU A 85 7.202 -11.203 30.250 1.00 34.00 H new ATOM 0 HB3 GLU A 85 6.820 -11.551 31.925 1.00 34.00 H new ATOM 0 HG2 GLU A 85 6.905 -9.028 32.346 1.00 63.42 H new ATOM 0 HG3 GLU A 85 6.998 -8.821 30.608 1.00 63.42 H new ATOM 1427 N PRO A 86 9.297 -12.899 32.868 1.00 55.32 N ATOM 1428 CA PRO A 86 9.832 -14.264 33.060 1.00 25.33 C ATOM 1429 C PRO A 86 9.111 -15.326 32.206 1.00 64.22 C ATOM 1430 O PRO A 86 9.611 -16.439 32.020 1.00 2.41 O ATOM 1431 CB PRO A 86 9.612 -14.526 34.558 1.00 60.12 C ATOM 1432 CG PRO A 86 8.512 -13.599 34.954 1.00 12.32 C ATOM 1433 CD PRO A 86 8.693 -12.369 34.108 1.00 3.12 C ATOM 0 HA PRO A 86 10.874 -14.332 32.748 1.00 25.33 H new ATOM 0 HB2 PRO A 86 9.338 -15.565 34.741 1.00 60.12 H new ATOM 0 HB3 PRO A 86 10.519 -14.330 35.130 1.00 60.12 H new ATOM 0 HG2 PRO A 86 7.536 -14.053 34.781 1.00 12.32 H new ATOM 0 HG3 PRO A 86 8.567 -13.356 36.015 1.00 12.32 H new ATOM 0 HD2 PRO A 86 7.743 -11.871 33.913 1.00 3.12 H new ATOM 0 HD3 PRO A 86 9.342 -11.639 34.592 1.00 3.12 H new