USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 639 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 30 GLN : amide:sc= 0.113 K(o=0.24,f=-3.1!) USER MOD Set 1.2: A 101 ASN : amide:sc= 0.132 K(o=0.24,f=-0.3) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -101:sc= -0.0104 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.47! C(o=-2.6!,f=-1.5!) USER MOD Single : A 44 TYR OH : rot -75:sc= 0.383 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.92! C(o=-3.9!,f=-4.9!) USER MOD Single : A 57 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-1.2) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.7) USER MOD Single : A 64 MET CE :methyl 154:sc= -0.385 (180deg=-0.988) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 79 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-4.5!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 0.0735 (180deg=0.0532) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 14.856 9.917 -2.342 1.00 0.00 N ATOM 2 CA MET A 21 15.400 10.696 -3.448 1.00 52.33 C ATOM 3 C MET A 21 15.411 12.184 -3.112 1.00 63.31 C ATOM 4 O MET A 21 14.484 12.915 -3.461 1.00 71.25 O ATOM 5 CB MET A 21 14.584 10.455 -4.719 1.00 2.52 C ATOM 6 CG MET A 21 14.662 9.024 -5.229 1.00 60.21 C ATOM 7 SD MET A 21 13.321 7.992 -4.605 1.00 13.12 S ATOM 8 CE MET A 21 13.406 6.607 -5.737 1.00 51.14 C ATOM 0 HA MET A 21 16.427 10.372 -3.617 1.00 52.33 H new ATOM 0 HB2 MET A 21 13.541 10.707 -4.525 1.00 2.52 H new ATOM 0 HB3 MET A 21 14.935 11.130 -5.500 1.00 2.52 H new ATOM 0 HG2 MET A 21 14.635 9.028 -6.319 1.00 60.21 H new ATOM 0 HG3 MET A 21 15.617 8.589 -4.935 1.00 60.21 H new ATOM 0 HE1 MET A 21 12.636 5.879 -5.480 1.00 51.14 H new ATOM 0 HE2 MET A 21 13.247 6.960 -6.756 1.00 51.14 H new ATOM 0 HE3 MET A 21 14.387 6.138 -5.665 1.00 51.14 H new ATOM 18 N ILE A 22 16.465 12.625 -2.433 1.00 72.20 N ATOM 19 CA ILE A 22 16.596 14.025 -2.051 1.00 74.31 C ATOM 20 C ILE A 22 16.673 14.926 -3.279 1.00 3.25 C ATOM 21 O ILE A 22 16.480 16.138 -3.187 1.00 53.33 O ATOM 22 CB ILE A 22 17.844 14.258 -1.180 1.00 25.52 C ATOM 23 CG1 ILE A 22 19.106 14.252 -2.046 1.00 4.05 C ATOM 24 CG2 ILE A 22 17.937 13.196 -0.093 1.00 31.33 C ATOM 25 CD1 ILE A 22 19.386 12.914 -2.696 1.00 51.51 C ATOM 0 H ILE A 22 17.240 12.032 -2.136 1.00 72.20 H new ATOM 0 HA ILE A 22 15.707 14.277 -1.473 1.00 74.31 H new ATOM 0 HB ILE A 22 17.758 15.234 -0.702 1.00 25.52 H new ATOM 0 HG12 ILE A 22 19.008 15.011 -2.822 1.00 4.05 H new ATOM 0 HG13 ILE A 22 19.960 14.534 -1.431 1.00 4.05 H new ATOM 0 HG21 ILE A 22 18.824 13.374 0.515 1.00 31.33 H new ATOM 0 HG22 ILE A 22 17.050 13.243 0.538 1.00 31.33 H new ATOM 0 HG23 ILE A 22 18.004 12.210 -0.553 1.00 31.33 H new ATOM 0 HD11 ILE A 22 20.294 12.983 -3.294 1.00 51.51 H new ATOM 0 HD12 ILE A 22 19.516 12.155 -1.925 1.00 51.51 H new ATOM 0 HD13 ILE A 22 18.549 12.639 -3.338 1.00 51.51 H new ATOM 37 N SER A 23 16.953 14.323 -4.431 1.00 14.52 N ATOM 38 CA SER A 23 17.057 15.070 -5.679 1.00 24.41 C ATOM 39 C SER A 23 15.967 14.645 -6.659 1.00 72.30 C ATOM 40 O SER A 23 15.421 13.546 -6.560 1.00 61.10 O ATOM 41 CB SER A 23 18.435 14.862 -6.309 1.00 15.33 C ATOM 42 OG SER A 23 18.495 13.633 -7.012 1.00 3.43 O ATOM 0 H SER A 23 17.112 13.320 -4.525 1.00 14.52 H new ATOM 0 HA SER A 23 16.925 16.128 -5.453 1.00 24.41 H new ATOM 0 HB2 SER A 23 18.655 15.685 -6.989 1.00 15.33 H new ATOM 0 HB3 SER A 23 19.199 14.878 -5.532 1.00 15.33 H new ATOM 0 HG SER A 23 19.386 13.525 -7.407 1.00 3.43 H new ATOM 48 N GLY A 24 15.657 15.524 -7.607 1.00 24.14 N ATOM 49 CA GLY A 24 14.634 15.222 -8.592 1.00 51.04 C ATOM 50 C GLY A 24 13.344 15.975 -8.336 1.00 72.32 C ATOM 51 O GLY A 24 13.345 17.022 -7.688 1.00 12.03 O ATOM 0 H GLY A 24 16.095 16.439 -7.711 1.00 24.14 H new ATOM 0 HA2 GLY A 24 15.006 15.471 -9.586 1.00 51.04 H new ATOM 0 HA3 GLY A 24 14.433 14.151 -8.586 1.00 51.04 H new ATOM 55 N LEU A 25 12.239 15.442 -8.848 1.00 31.11 N ATOM 56 CA LEU A 25 10.935 16.071 -8.674 1.00 21.41 C ATOM 57 C LEU A 25 10.276 15.607 -7.378 1.00 34.34 C ATOM 58 O LEU A 25 10.760 14.688 -6.719 1.00 44.25 O ATOM 59 CB LEU A 25 10.028 15.751 -9.863 1.00 14.10 C ATOM 60 CG LEU A 25 9.948 16.821 -10.953 1.00 4.43 C ATOM 61 CD1 LEU A 25 11.331 17.125 -11.506 1.00 51.30 C ATOM 62 CD2 LEU A 25 9.011 16.377 -12.067 1.00 33.24 C ATOM 0 H LEU A 25 12.221 14.576 -9.387 1.00 31.11 H new ATOM 0 HA LEU A 25 11.084 17.149 -8.620 1.00 21.41 H new ATOM 0 HB2 LEU A 25 10.373 14.822 -10.318 1.00 14.10 H new ATOM 0 HB3 LEU A 25 9.021 15.567 -9.487 1.00 14.10 H new ATOM 0 HG LEU A 25 9.548 17.734 -10.511 1.00 4.43 H new ATOM 0 HD11 LEU A 25 11.254 17.888 -12.280 1.00 51.30 H new ATOM 0 HD12 LEU A 25 11.973 17.487 -10.703 1.00 51.30 H new ATOM 0 HD13 LEU A 25 11.760 16.218 -11.932 1.00 51.30 H new ATOM 0 HD21 LEU A 25 8.966 17.150 -12.834 1.00 33.24 H new ATOM 0 HD22 LEU A 25 9.381 15.451 -12.506 1.00 33.24 H new ATOM 0 HD23 LEU A 25 8.014 16.212 -11.659 1.00 33.24 H new ATOM 74 N ARG A 26 9.168 16.249 -7.021 1.00 43.30 N ATOM 75 CA ARG A 26 8.442 15.902 -5.805 1.00 70.54 C ATOM 76 C ARG A 26 6.968 15.648 -6.107 1.00 71.23 C ATOM 77 O ARG A 26 6.508 14.506 -6.097 1.00 53.32 O ATOM 78 CB ARG A 26 8.576 17.019 -4.769 1.00 60.41 C ATOM 79 CG ARG A 26 9.675 16.772 -3.747 1.00 35.33 C ATOM 80 CD ARG A 26 9.864 17.972 -2.832 1.00 33.14 C ATOM 81 NE ARG A 26 10.317 19.152 -3.563 1.00 43.10 N ATOM 82 CZ ARG A 26 10.508 20.338 -2.996 1.00 51.43 C ATOM 83 NH1 ARG A 26 10.289 20.501 -1.698 1.00 64.12 N ATOM 84 NH2 ARG A 26 10.921 21.366 -3.727 1.00 24.53 N ATOM 0 H ARG A 26 8.754 17.012 -7.556 1.00 43.30 H new ATOM 0 HA ARG A 26 8.876 14.987 -5.401 1.00 70.54 H new ATOM 0 HB2 ARG A 26 8.775 17.959 -5.284 1.00 60.41 H new ATOM 0 HB3 ARG A 26 7.626 17.136 -4.248 1.00 60.41 H new ATOM 0 HG2 ARG A 26 9.428 15.894 -3.151 1.00 35.33 H new ATOM 0 HG3 ARG A 26 10.611 16.555 -4.262 1.00 35.33 H new ATOM 0 HD2 ARG A 26 8.923 18.196 -2.329 1.00 33.14 H new ATOM 0 HD3 ARG A 26 10.589 17.726 -2.056 1.00 33.14 H new ATOM 0 HE ARG A 26 10.496 19.061 -4.563 1.00 43.10 H new ATOM 0 HH11 ARG A 26 9.973 19.714 -1.131 1.00 64.12 H new ATOM 0 HH12 ARG A 26 10.437 21.413 -1.266 1.00 64.12 H new ATOM 0 HH21 ARG A 26 11.092 21.246 -4.725 1.00 24.53 H new ATOM 0 HH22 ARG A 26 11.067 22.276 -3.290 1.00 24.53 H new ATOM 98 N THR A 27 6.230 16.722 -6.373 1.00 74.20 N ATOM 99 CA THR A 27 4.808 16.616 -6.675 1.00 3.15 C ATOM 100 C THR A 27 4.469 17.330 -7.978 1.00 11.44 C ATOM 101 O THR A 27 5.163 18.262 -8.388 1.00 13.24 O ATOM 102 CB THR A 27 3.948 17.204 -5.541 1.00 64.45 C ATOM 103 OG1 THR A 27 4.643 18.285 -4.910 1.00 75.14 O ATOM 104 CG2 THR A 27 3.611 16.139 -4.509 1.00 62.34 C ATOM 0 H THR A 27 6.594 17.675 -6.385 1.00 74.20 H new ATOM 0 HA THR A 27 4.584 15.554 -6.777 1.00 3.15 H new ATOM 0 HB THR A 27 3.018 17.574 -5.974 1.00 64.45 H new ATOM 0 HG1 THR A 27 4.089 18.655 -4.191 1.00 75.14 H new ATOM 0 HG21 THR A 27 3.003 16.578 -3.718 1.00 62.34 H new ATOM 0 HG22 THR A 27 3.056 15.332 -4.987 1.00 62.34 H new ATOM 0 HG23 THR A 27 4.532 15.743 -4.081 1.00 62.34 H new ATOM 112 N LEU A 28 3.396 16.889 -8.627 1.00 61.05 N ATOM 113 CA LEU A 28 2.964 17.487 -9.885 1.00 24.32 C ATOM 114 C LEU A 28 1.884 18.539 -9.646 1.00 71.42 C ATOM 115 O LEU A 28 1.070 18.818 -10.525 1.00 42.34 O ATOM 116 CB LEU A 28 2.437 16.407 -10.832 1.00 1.20 C ATOM 117 CG LEU A 28 3.269 15.126 -10.917 1.00 31.40 C ATOM 118 CD1 LEU A 28 2.503 13.952 -10.326 1.00 43.04 C ATOM 119 CD2 LEU A 28 3.659 14.839 -12.359 1.00 12.14 C ATOM 0 H LEU A 28 2.810 16.120 -8.302 1.00 61.05 H new ATOM 0 HA LEU A 28 3.826 17.974 -10.341 1.00 24.32 H new ATOM 0 HB2 LEU A 28 1.427 16.141 -10.521 1.00 1.20 H new ATOM 0 HB3 LEU A 28 2.361 16.834 -11.832 1.00 1.20 H new ATOM 0 HG LEU A 28 4.180 15.268 -10.336 1.00 31.40 H new ATOM 0 HD11 LEU A 28 3.110 13.049 -10.395 1.00 43.04 H new ATOM 0 HD12 LEU A 28 2.274 14.156 -9.280 1.00 43.04 H new ATOM 0 HD13 LEU A 28 1.575 13.808 -10.879 1.00 43.04 H new ATOM 0 HD21 LEU A 28 4.250 13.924 -12.401 1.00 12.14 H new ATOM 0 HD22 LEU A 28 2.759 14.717 -12.962 1.00 12.14 H new ATOM 0 HD23 LEU A 28 4.247 15.670 -12.749 1.00 12.14 H new ATOM 131 N GLU A 29 1.886 19.120 -8.450 1.00 71.21 N ATOM 132 CA GLU A 29 0.908 20.141 -8.096 1.00 54.42 C ATOM 133 C GLU A 29 -0.510 19.581 -8.161 1.00 50.35 C ATOM 134 O GLU A 29 -1.443 20.275 -8.564 1.00 23.30 O ATOM 135 CB GLU A 29 1.036 21.346 -9.031 1.00 64.24 C ATOM 136 CG GLU A 29 1.004 22.682 -8.308 1.00 53.41 C ATOM 137 CD GLU A 29 1.191 23.858 -9.248 1.00 22.11 C ATOM 138 OE1 GLU A 29 1.032 23.669 -10.472 1.00 22.55 O ATOM 139 OE2 GLU A 29 1.494 24.966 -8.760 1.00 0.41 O ATOM 0 H GLU A 29 2.554 18.901 -7.711 1.00 71.21 H new ATOM 0 HA GLU A 29 1.107 20.461 -7.073 1.00 54.42 H new ATOM 0 HB2 GLU A 29 1.970 21.266 -9.588 1.00 64.24 H new ATOM 0 HB3 GLU A 29 0.226 21.317 -9.760 1.00 64.24 H new ATOM 0 HG2 GLU A 29 0.053 22.786 -7.786 1.00 53.41 H new ATOM 0 HG3 GLU A 29 1.787 22.700 -7.550 1.00 53.41 H new ATOM 146 N GLN A 30 -0.662 18.323 -7.760 1.00 11.21 N ATOM 147 CA GLN A 30 -1.966 17.670 -7.772 1.00 53.41 C ATOM 148 C GLN A 30 -2.936 18.373 -6.828 1.00 1.24 C ATOM 149 O GLN A 30 -2.644 19.451 -6.312 1.00 70.32 O ATOM 150 CB GLN A 30 -1.827 16.199 -7.378 1.00 14.42 C ATOM 151 CG GLN A 30 -1.576 15.989 -5.894 1.00 43.14 C ATOM 152 CD GLN A 30 -1.224 14.553 -5.559 1.00 14.25 C ATOM 153 OE1 GLN A 30 -0.723 13.812 -6.405 1.00 75.34 O ATOM 154 NE2 GLN A 30 -1.484 14.152 -4.320 1.00 41.52 N ATOM 0 H GLN A 30 0.101 17.736 -7.423 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.365 17.731 -8.784 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -2.735 15.667 -7.663 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -1.007 15.756 -7.943 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -0.766 16.643 -5.570 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -2.464 16.281 -5.334 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -1.900 14.800 -3.651 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -1.268 13.196 -4.037 1.00 41.52 H new ATOM 163 N SER A 31 -4.092 17.756 -6.609 1.00 15.30 N ATOM 164 CA SER A 31 -5.108 18.323 -5.730 1.00 20.14 C ATOM 165 C SER A 31 -6.099 17.254 -5.281 1.00 72.11 C ATOM 166 O SER A 31 -5.981 16.086 -5.655 1.00 2.02 O ATOM 167 CB SER A 31 -5.850 19.457 -6.440 1.00 15.13 C ATOM 168 OG SER A 31 -6.668 20.178 -5.534 1.00 35.43 O ATOM 0 H SER A 31 -4.349 16.862 -7.028 1.00 15.30 H new ATOM 0 HA SER A 31 -4.608 18.721 -4.847 1.00 20.14 H new ATOM 0 HB2 SER A 31 -5.131 20.133 -6.902 1.00 15.13 H new ATOM 0 HB3 SER A 31 -6.464 19.048 -7.242 1.00 15.13 H new ATOM 0 HG SER A 31 -7.599 19.889 -5.633 1.00 35.43 H new ATOM 174 N VAL A 32 -7.075 17.661 -4.477 1.00 21.10 N ATOM 175 CA VAL A 32 -8.089 16.738 -3.978 1.00 5.34 C ATOM 176 C VAL A 32 -8.847 16.082 -5.125 1.00 4.34 C ATOM 177 O VAL A 32 -8.902 14.857 -5.226 1.00 0.24 O ATOM 178 CB VAL A 32 -9.093 17.455 -3.055 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.182 16.494 -2.604 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.377 18.062 -1.858 1.00 3.55 C ATOM 0 H VAL A 32 -7.186 18.623 -4.157 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.566 15.970 -3.407 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.563 18.263 -3.616 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -10.882 17.017 -1.953 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.713 16.111 -3.475 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.732 15.664 -2.060 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -9.101 18.564 -1.217 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -7.879 17.274 -1.294 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.637 18.784 -2.204 1.00 3.55 H new ATOM 190 N GLY A 33 -9.433 16.906 -5.989 1.00 71.41 N ATOM 191 CA GLY A 33 -10.181 16.387 -7.119 1.00 1.03 C ATOM 192 C GLY A 33 -9.382 15.388 -7.934 1.00 4.54 C ATOM 193 O GLY A 33 -9.762 14.223 -8.042 1.00 23.33 O ATOM 0 H GLY A 33 -9.403 17.924 -5.926 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.093 15.911 -6.759 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.485 17.214 -7.760 1.00 1.03 H new ATOM 197 N GLU A 34 -8.275 15.847 -8.508 1.00 14.20 N ATOM 198 CA GLU A 34 -7.423 14.985 -9.319 1.00 2.12 C ATOM 199 C GLU A 34 -7.045 13.719 -8.556 1.00 53.45 C ATOM 200 O GLU A 34 -7.193 12.608 -9.063 1.00 72.43 O ATOM 201 CB GLU A 34 -6.159 15.735 -9.744 1.00 30.02 C ATOM 202 CG GLU A 34 -5.119 14.847 -10.408 1.00 30.44 C ATOM 203 CD GLU A 34 -5.642 14.173 -11.663 1.00 41.34 C ATOM 204 OE1 GLU A 34 -6.472 14.789 -12.364 1.00 13.54 O ATOM 205 OE2 GLU A 34 -5.222 13.031 -11.942 1.00 3.31 O ATOM 0 H GLU A 34 -7.947 16.809 -8.427 1.00 14.20 H new ATOM 0 HA GLU A 34 -7.983 14.697 -10.209 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.435 16.534 -10.432 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.715 16.208 -8.868 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.243 15.445 -10.660 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -4.792 14.085 -9.700 1.00 30.44 H new ATOM 212 N TRP A 35 -6.556 13.898 -7.333 1.00 34.44 N ATOM 213 CA TRP A 35 -6.155 12.770 -6.499 1.00 74.51 C ATOM 214 C TRP A 35 -7.264 11.726 -6.425 1.00 42.13 C ATOM 215 O TRP A 35 -7.047 10.553 -6.730 1.00 42.12 O ATOM 216 CB TRP A 35 -5.798 13.253 -5.092 1.00 72.25 C ATOM 217 CG TRP A 35 -5.557 12.134 -4.125 1.00 42.51 C ATOM 218 CD1 TRP A 35 -4.923 10.951 -4.380 1.00 34.01 C ATOM 219 CD2 TRP A 35 -5.947 12.092 -2.748 1.00 43.01 C ATOM 220 NE1 TRP A 35 -4.897 10.177 -3.245 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.518 10.856 -2.229 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.616 12.982 -1.902 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.738 10.487 -0.905 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.834 12.614 -0.588 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.394 11.377 -0.099 1.00 53.30 C ATOM 0 H TRP A 35 -6.428 14.812 -6.898 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.277 12.309 -6.952 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -4.906 13.877 -5.145 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.605 13.882 -4.716 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.504 10.666 -5.334 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.483 9.248 -3.171 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -6.956 13.939 -2.269 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.403 9.532 -0.527 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.353 13.292 0.074 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.576 11.121 0.934 1.00 53.30 H new ATOM 236 N LEU A 36 -8.453 12.160 -6.020 1.00 32.21 N ATOM 237 CA LEU A 36 -9.597 11.262 -5.906 1.00 63.31 C ATOM 238 C LEU A 36 -10.000 10.719 -7.274 1.00 40.04 C ATOM 239 O LEU A 36 -10.481 9.591 -7.386 1.00 0.32 O ATOM 240 CB LEU A 36 -10.780 11.989 -5.265 1.00 64.11 C ATOM 241 CG LEU A 36 -10.554 12.515 -3.847 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.516 13.653 -3.541 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.713 11.394 -2.830 1.00 61.13 C ATOM 0 H LEU A 36 -8.650 13.128 -5.765 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.308 10.423 -5.272 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.054 12.829 -5.903 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.632 11.310 -5.248 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.536 12.898 -3.780 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.341 14.015 -2.528 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.355 14.466 -4.249 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.542 13.295 -3.626 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.549 11.787 -1.827 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.720 10.981 -2.898 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -9.985 10.610 -3.036 1.00 61.13 H new ATOM 255 N GLU A 37 -9.799 11.527 -8.309 1.00 14.23 N ATOM 256 CA GLU A 37 -10.140 11.126 -9.669 1.00 44.15 C ATOM 257 C GLU A 37 -9.268 9.961 -10.128 1.00 3.12 C ATOM 258 O GLU A 37 -9.676 9.159 -10.967 1.00 3.23 O ATOM 259 CB GLU A 37 -9.980 12.307 -10.628 1.00 0.32 C ATOM 260 CG GLU A 37 -11.272 12.714 -11.315 1.00 25.55 C ATOM 261 CD GLU A 37 -11.232 12.492 -12.815 1.00 54.15 C ATOM 262 OE1 GLU A 37 -10.555 11.538 -13.254 1.00 22.41 O ATOM 263 OE2 GLU A 37 -11.875 13.272 -13.548 1.00 72.55 O ATOM 0 H GLU A 37 -9.402 12.463 -8.232 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.181 10.802 -9.675 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.587 13.161 -10.076 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.241 12.050 -11.387 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -12.099 12.146 -10.890 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.470 13.767 -11.113 1.00 25.55 H new ATOM 270 N SER A 38 -8.063 9.876 -9.571 1.00 41.52 N ATOM 271 CA SER A 38 -7.131 8.813 -9.926 1.00 43.50 C ATOM 272 C SER A 38 -7.582 7.477 -9.343 1.00 44.21 C ATOM 273 O SER A 38 -7.234 6.413 -9.856 1.00 32.52 O ATOM 274 CB SER A 38 -5.725 9.151 -9.427 1.00 63.23 C ATOM 275 OG SER A 38 -4.754 8.899 -10.427 1.00 32.02 O ATOM 0 H SER A 38 -7.710 10.531 -8.873 1.00 41.52 H new ATOM 0 HA SER A 38 -7.113 8.728 -11.013 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.683 10.199 -9.131 1.00 63.23 H new ATOM 0 HB3 SER A 38 -5.499 8.560 -8.539 1.00 63.23 H new ATOM 0 HG SER A 38 -3.864 9.125 -10.083 1.00 32.02 H new ATOM 281 N ILE A 39 -8.360 7.541 -8.267 1.00 24.35 N ATOM 282 CA ILE A 39 -8.860 6.338 -7.615 1.00 60.42 C ATOM 283 C ILE A 39 -10.322 6.089 -7.967 1.00 1.15 C ATOM 284 O ILE A 39 -10.838 4.988 -7.780 1.00 3.33 O ATOM 285 CB ILE A 39 -8.722 6.429 -6.083 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.566 7.583 -5.540 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.262 6.605 -5.694 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.623 7.632 -4.030 1.00 5.35 C ATOM 0 H ILE A 39 -8.657 8.413 -7.829 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.254 5.508 -7.978 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.086 5.500 -5.644 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.161 8.524 -5.911 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.580 7.496 -5.931 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.180 6.668 -4.609 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -6.685 5.753 -6.053 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -6.874 7.520 -6.141 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.238 8.475 -3.716 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.056 6.706 -3.652 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.615 7.750 -3.632 1.00 5.35 H new ATOM 300 N GLY A 40 -10.987 7.121 -8.480 1.00 71.22 N ATOM 301 CA GLY A 40 -12.383 6.993 -8.853 1.00 52.30 C ATOM 302 C GLY A 40 -13.321 7.393 -7.731 1.00 71.13 C ATOM 303 O GLY A 40 -14.400 6.820 -7.581 1.00 33.14 O ATOM 0 H GLY A 40 -10.583 8.043 -8.644 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.581 7.614 -9.727 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.586 5.962 -9.142 1.00 52.30 H new ATOM 307 N LEU A 41 -12.909 8.379 -6.942 1.00 43.40 N ATOM 308 CA LEU A 41 -13.720 8.855 -5.826 1.00 52.32 C ATOM 309 C LEU A 41 -13.867 10.372 -5.869 1.00 52.54 C ATOM 310 O LEU A 41 -14.309 10.990 -4.899 1.00 74.32 O ATOM 311 CB LEU A 41 -13.095 8.428 -4.497 1.00 71.33 C ATOM 312 CG LEU A 41 -13.714 7.203 -3.826 1.00 41.42 C ATOM 313 CD1 LEU A 41 -15.194 7.430 -3.558 1.00 31.25 C ATOM 314 CD2 LEU A 41 -13.511 5.964 -4.686 1.00 14.14 C ATOM 0 H LEU A 41 -12.019 8.864 -7.054 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.711 8.410 -5.913 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.036 8.229 -4.664 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -13.157 9.267 -3.804 1.00 71.33 H new ATOM 0 HG LEU A 41 -13.213 7.045 -2.871 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -15.617 6.546 -3.080 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -15.317 8.292 -2.902 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -15.710 7.615 -4.500 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -13.958 5.101 -4.192 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -13.985 6.113 -5.656 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -12.444 5.789 -4.826 1.00 14.14 H new ATOM 326 N GLN A 42 -13.498 10.966 -6.999 1.00 45.22 N ATOM 327 CA GLN A 42 -13.591 12.412 -7.168 1.00 5.41 C ATOM 328 C GLN A 42 -15.001 12.906 -6.860 1.00 10.21 C ATOM 329 O GLN A 42 -15.195 14.065 -6.494 1.00 21.41 O ATOM 330 CB GLN A 42 -13.199 12.806 -8.593 1.00 41.24 C ATOM 331 CG GLN A 42 -12.707 14.239 -8.714 1.00 13.20 C ATOM 332 CD GLN A 42 -13.655 15.117 -9.508 1.00 4.11 C ATOM 333 OE1 GLN A 42 -14.865 15.105 -9.282 1.00 55.42 O ATOM 334 NE2 GLN A 42 -13.108 15.885 -10.443 1.00 33.04 N ATOM 0 H GLN A 42 -13.132 10.469 -7.811 1.00 45.22 H new ATOM 0 HA GLN A 42 -12.901 12.880 -6.467 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.419 12.132 -8.946 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.059 12.669 -9.249 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.577 14.660 -7.717 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.727 14.244 -9.192 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -12.100 15.863 -10.596 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -13.696 16.497 -11.008 1.00 33.04 H new ATOM 343 N GLN A 43 -15.980 12.020 -7.011 1.00 23.01 N ATOM 344 CA GLN A 43 -17.371 12.368 -6.750 1.00 42.31 C ATOM 345 C GLN A 43 -17.584 12.692 -5.275 1.00 31.15 C ATOM 346 O GLN A 43 -18.405 13.541 -4.927 1.00 2.15 O ATOM 347 CB GLN A 43 -18.293 11.222 -7.171 1.00 30.54 C ATOM 348 CG GLN A 43 -17.994 9.910 -6.465 1.00 13.14 C ATOM 349 CD GLN A 43 -17.676 8.786 -7.431 1.00 4.30 C ATOM 350 OE1 GLN A 43 -16.887 7.819 -6.977 1.00 75.43 O flip ATOM 351 NE2 GLN A 43 -18.133 8.787 -8.575 1.00 32.55 N flip ATOM 0 H GLN A 43 -15.835 11.056 -7.313 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.613 13.254 -7.336 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.326 11.506 -6.970 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -18.206 11.074 -8.247 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -17.152 10.050 -5.787 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -18.851 9.627 -5.854 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -18.736 9.550 -8.883 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -17.909 8.025 -9.214 1.00 32.55 H new ATOM 360 N TYR A 44 -16.838 12.011 -4.412 1.00 53.33 N ATOM 361 CA TYR A 44 -16.947 12.224 -2.974 1.00 21.31 C ATOM 362 C TYR A 44 -16.085 13.402 -2.530 1.00 21.55 C ATOM 363 O TYR A 44 -15.996 13.707 -1.342 1.00 1.25 O ATOM 364 CB TYR A 44 -16.533 10.960 -2.217 1.00 62.50 C ATOM 365 CG TYR A 44 -17.674 10.293 -1.483 1.00 71.52 C ATOM 366 CD1 TYR A 44 -18.557 11.036 -0.710 1.00 40.54 C ATOM 367 CD2 TYR A 44 -17.867 8.919 -1.562 1.00 74.53 C ATOM 368 CE1 TYR A 44 -19.601 10.430 -0.037 1.00 14.14 C ATOM 369 CE2 TYR A 44 -18.908 8.305 -0.893 1.00 74.14 C ATOM 370 CZ TYR A 44 -19.773 9.064 -0.132 1.00 22.33 C ATOM 371 OH TYR A 44 -20.811 8.456 0.536 1.00 21.24 O ATOM 0 H TYR A 44 -16.152 11.307 -4.683 1.00 53.33 H new ATOM 0 HA TYR A 44 -17.988 12.453 -2.744 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.101 10.250 -2.922 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -15.751 11.215 -1.501 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -18.426 12.105 -0.634 1.00 40.54 H new ATOM 0 HD2 TYR A 44 -17.192 8.321 -2.156 1.00 74.53 H new ATOM 0 HE1 TYR A 44 -20.279 11.022 0.560 1.00 14.14 H new ATOM 0 HE2 TYR A 44 -19.044 7.236 -0.965 1.00 74.14 H new ATOM 0 HH TYR A 44 -20.604 8.413 1.493 1.00 21.24 H new ATOM 381 N GLU A 45 -15.452 14.059 -3.497 1.00 23.43 N ATOM 382 CA GLU A 45 -14.596 15.205 -3.207 1.00 45.35 C ATOM 383 C GLU A 45 -15.324 16.219 -2.331 1.00 61.44 C ATOM 384 O GLU A 45 -14.776 16.709 -1.344 1.00 44.32 O ATOM 385 CB GLU A 45 -14.140 15.870 -4.506 1.00 32.34 C ATOM 386 CG GLU A 45 -13.442 17.203 -4.295 1.00 42.53 C ATOM 387 CD GLU A 45 -14.240 18.372 -4.841 1.00 53.30 C ATOM 388 OE1 GLU A 45 -15.395 18.556 -4.405 1.00 53.20 O ATOM 389 OE2 GLU A 45 -13.709 19.101 -5.706 1.00 31.32 O ATOM 0 H GLU A 45 -15.515 13.818 -4.486 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.721 14.845 -2.665 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.465 15.195 -5.032 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -15.006 16.021 -5.150 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -13.268 17.353 -3.230 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.465 17.178 -4.778 1.00 42.53 H new ATOM 396 N SER A 46 -16.563 16.531 -2.700 1.00 74.45 N ATOM 397 CA SER A 46 -17.365 17.491 -1.951 1.00 53.41 C ATOM 398 C SER A 46 -17.360 17.159 -0.463 1.00 2.32 C ATOM 399 O SER A 46 -17.269 18.048 0.385 1.00 40.42 O ATOM 400 CB SER A 46 -18.801 17.507 -2.477 1.00 21.35 C ATOM 401 OG SER A 46 -19.679 18.114 -1.545 1.00 71.21 O ATOM 0 H SER A 46 -17.033 16.133 -3.513 1.00 74.45 H new ATOM 0 HA SER A 46 -16.925 18.479 -2.086 1.00 53.41 H new ATOM 0 HB2 SER A 46 -18.839 18.048 -3.423 1.00 21.35 H new ATOM 0 HB3 SER A 46 -19.129 16.487 -2.679 1.00 21.35 H new ATOM 0 HG SER A 46 -20.590 18.113 -1.906 1.00 71.21 H new ATOM 407 N LYS A 47 -17.459 15.872 -0.150 1.00 52.31 N ATOM 408 CA LYS A 47 -17.464 15.418 1.237 1.00 32.00 C ATOM 409 C LYS A 47 -16.109 15.659 1.893 1.00 25.31 C ATOM 410 O LYS A 47 -16.034 16.078 3.049 1.00 3.24 O ATOM 411 CB LYS A 47 -17.821 13.932 1.306 1.00 45.22 C ATOM 412 CG LYS A 47 -19.316 13.665 1.355 1.00 41.21 C ATOM 413 CD LYS A 47 -20.008 14.147 0.091 1.00 40.34 C ATOM 414 CE LYS A 47 -21.425 13.604 -0.011 1.00 24.10 C ATOM 415 NZ LYS A 47 -21.868 13.470 -1.425 1.00 44.25 N ATOM 0 H LYS A 47 -17.537 15.123 -0.838 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.216 15.991 1.779 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -17.399 13.425 0.438 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.354 13.496 2.189 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -19.492 12.597 1.483 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -19.748 14.166 2.221 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -20.033 15.237 0.082 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -19.434 13.834 -0.781 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -21.477 12.632 0.479 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -22.107 14.267 0.522 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -22.838 13.097 -1.451 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -21.843 14.402 -1.886 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -21.233 12.818 -1.927 1.00 44.25 H new ATOM 429 N LEU A 48 -15.042 15.393 1.149 1.00 0.24 N ATOM 430 CA LEU A 48 -13.688 15.583 1.660 1.00 61.20 C ATOM 431 C LEU A 48 -13.295 17.057 1.627 1.00 42.21 C ATOM 432 O LEU A 48 -12.228 17.437 2.113 1.00 23.30 O ATOM 433 CB LEU A 48 -12.692 14.761 0.839 1.00 13.43 C ATOM 434 CG LEU A 48 -11.550 14.113 1.622 1.00 44.52 C ATOM 435 CD1 LEU A 48 -11.252 12.724 1.082 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.306 14.987 1.570 1.00 4.51 C ATOM 0 H LEU A 48 -15.087 15.046 0.191 1.00 0.24 H new ATOM 0 HA LEU A 48 -13.666 15.243 2.695 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -13.241 13.976 0.319 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.261 15.408 0.075 1.00 13.43 H new ATOM 0 HG LEU A 48 -11.858 14.015 2.663 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -10.436 12.279 1.652 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -12.141 12.100 1.173 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -10.965 12.795 0.033 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -9.503 14.511 2.132 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -9.996 15.117 0.533 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -10.527 15.961 2.007 1.00 4.51 H new ATOM 448 N LEU A 49 -14.164 17.883 1.055 1.00 1.22 N ATOM 449 CA LEU A 49 -13.909 19.316 0.962 1.00 22.31 C ATOM 450 C LEU A 49 -14.730 20.083 1.994 1.00 21.04 C ATOM 451 O LEU A 49 -14.249 21.044 2.597 1.00 33.35 O ATOM 452 CB LEU A 49 -14.237 19.822 -0.443 1.00 14.24 C ATOM 453 CG LEU A 49 -14.177 21.337 -0.643 1.00 14.42 C ATOM 454 CD1 LEU A 49 -12.809 21.873 -0.255 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.506 21.698 -2.084 1.00 64.13 C ATOM 0 H LEU A 49 -15.051 17.585 0.649 1.00 1.22 H new ATOM 0 HA LEU A 49 -12.852 19.486 1.166 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.547 19.355 -1.146 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.238 19.481 -0.706 1.00 14.24 H new ATOM 0 HG LEU A 49 -14.922 21.800 0.005 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -12.786 22.952 -0.404 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.614 21.647 0.793 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -12.045 21.404 -0.876 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.459 22.780 -2.208 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.786 21.224 -2.751 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.510 21.349 -2.327 1.00 64.13 H new ATOM 467 N LEU A 50 -15.969 19.651 2.197 1.00 22.22 N ATOM 468 CA LEU A 50 -16.857 20.295 3.159 1.00 12.15 C ATOM 469 C LEU A 50 -16.430 19.982 4.589 1.00 64.21 C ATOM 470 O LEU A 50 -16.811 20.678 5.528 1.00 41.21 O ATOM 471 CB LEU A 50 -18.301 19.842 2.935 1.00 52.32 C ATOM 472 CG LEU A 50 -19.329 20.953 2.725 1.00 62.43 C ATOM 473 CD1 LEU A 50 -20.734 20.375 2.661 1.00 30.14 C ATOM 474 CD2 LEU A 50 -19.227 21.990 3.834 1.00 52.43 C ATOM 0 H LEU A 50 -16.382 18.857 1.708 1.00 22.22 H new ATOM 0 HA LEU A 50 -16.794 21.373 3.008 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.324 19.185 2.066 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.611 19.246 3.793 1.00 52.32 H new ATOM 0 HG LEU A 50 -19.117 21.444 1.775 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -21.452 21.181 2.511 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -20.800 19.671 1.832 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -20.958 19.858 3.594 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -19.966 22.774 3.668 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -19.413 21.513 4.796 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -18.228 22.427 3.833 1.00 52.43 H new ATOM 486 N ASN A 51 -15.634 18.929 4.746 1.00 73.41 N ATOM 487 CA ASN A 51 -15.154 18.523 6.062 1.00 22.20 C ATOM 488 C ASN A 51 -13.762 19.091 6.331 1.00 10.20 C ATOM 489 O ASN A 51 -13.027 18.582 7.176 1.00 2.33 O ATOM 490 CB ASN A 51 -15.123 16.998 6.170 1.00 60.44 C ATOM 491 CG ASN A 51 -16.492 16.412 6.462 1.00 52.20 C ATOM 492 OD1 ASN A 51 -16.775 16.000 7.587 1.00 50.43 O ATOM 493 ND2 ASN A 51 -17.347 16.372 5.447 1.00 53.10 N ATOM 0 H ASN A 51 -15.308 18.342 3.978 1.00 73.41 H new ATOM 0 HA ASN A 51 -15.841 18.919 6.810 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -14.742 16.578 5.239 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -14.430 16.706 6.959 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -18.282 15.988 5.583 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -17.069 16.725 4.531 1.00 53.10 H new ATOM 500 N GLY A 52 -13.409 20.148 5.606 1.00 21.34 N ATOM 501 CA GLY A 52 -12.109 20.767 5.782 1.00 23.12 C ATOM 502 C GLY A 52 -10.976 19.763 5.721 1.00 64.40 C ATOM 503 O GLY A 52 -9.955 19.926 6.390 1.00 20.35 O ATOM 0 H GLY A 52 -14.000 20.586 4.900 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -11.962 21.523 5.010 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -12.082 21.282 6.742 1.00 23.12 H new ATOM 507 N PHE A 53 -11.156 18.717 4.920 1.00 4.22 N ATOM 508 CA PHE A 53 -10.141 17.681 4.777 1.00 32.51 C ATOM 509 C PHE A 53 -9.465 17.765 3.412 1.00 13.43 C ATOM 510 O PHE A 53 -8.686 16.887 3.036 1.00 72.43 O ATOM 511 CB PHE A 53 -10.765 16.296 4.965 1.00 31.13 C ATOM 512 CG PHE A 53 -9.979 15.403 5.881 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.601 15.316 5.772 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.619 14.650 6.853 1.00 44.33 C ATOM 515 CE1 PHE A 53 -7.874 14.496 6.613 1.00 24.22 C ATOM 516 CE2 PHE A 53 -9.898 13.829 7.699 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.524 13.750 7.578 1.00 3.33 C ATOM 0 H PHE A 53 -11.995 18.565 4.361 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.386 17.840 5.547 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -11.774 16.412 5.361 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -10.858 15.813 3.992 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -8.088 15.897 5.020 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.693 14.706 6.950 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -6.800 14.438 6.517 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.408 13.250 8.454 1.00 63.41 H new ATOM 0 HZ PHE A 53 -7.959 13.107 8.236 1.00 3.33 H new ATOM 527 N ASP A 54 -9.769 18.826 2.672 1.00 43.25 N ATOM 528 CA ASP A 54 -9.192 19.026 1.349 1.00 25.30 C ATOM 529 C ASP A 54 -7.681 19.216 1.437 1.00 32.24 C ATOM 530 O ASP A 54 -6.968 19.072 0.444 1.00 35.14 O ATOM 531 CB ASP A 54 -9.832 20.238 0.668 1.00 54.31 C ATOM 532 CG ASP A 54 -9.186 21.544 1.086 1.00 72.24 C ATOM 533 OD1 ASP A 54 -9.441 21.996 2.221 1.00 65.04 O ATOM 534 OD2 ASP A 54 -8.424 22.114 0.277 1.00 75.13 O ATOM 0 H ASP A 54 -10.412 19.561 2.967 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.394 18.135 0.754 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -9.754 20.127 -0.413 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -10.895 20.268 0.909 1.00 54.31 H new ATOM 539 N ASP A 55 -7.200 19.540 2.632 1.00 74.21 N ATOM 540 CA ASP A 55 -5.774 19.749 2.851 1.00 64.43 C ATOM 541 C ASP A 55 -4.970 18.536 2.392 1.00 73.45 C ATOM 542 O ASP A 55 -4.889 17.530 3.095 1.00 55.34 O ATOM 543 CB ASP A 55 -5.498 20.029 4.330 1.00 14.55 C ATOM 544 CG ASP A 55 -6.139 21.318 4.804 1.00 65.11 C ATOM 545 OD1 ASP A 55 -6.781 22.001 3.978 1.00 74.22 O ATOM 546 OD2 ASP A 55 -5.998 21.645 6.000 1.00 43.45 O ATOM 0 H ASP A 55 -7.777 19.664 3.464 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.464 20.612 2.262 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -5.871 19.199 4.930 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.421 20.081 4.492 1.00 14.55 H new ATOM 551 N VAL A 56 -4.378 18.640 1.207 1.00 2.04 N ATOM 552 CA VAL A 56 -3.580 17.552 0.653 1.00 33.13 C ATOM 553 C VAL A 56 -2.345 17.287 1.506 1.00 42.44 C ATOM 554 O VAL A 56 -1.758 16.206 1.450 1.00 53.32 O ATOM 555 CB VAL A 56 -3.137 17.859 -0.791 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.265 16.736 -1.332 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.350 18.081 -1.683 1.00 54.40 C ATOM 0 H VAL A 56 -4.436 19.466 0.612 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.213 16.665 0.650 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.546 18.775 -0.785 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -1.962 16.970 -2.352 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.379 16.629 -0.706 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -2.828 15.803 -1.326 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -4.020 18.297 -2.699 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -4.969 17.184 -1.685 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -4.931 18.922 -1.304 1.00 54.40 H new ATOM 567 N HIS A 57 -1.954 18.282 2.297 1.00 51.41 N ATOM 568 CA HIS A 57 -0.788 18.155 3.164 1.00 40.15 C ATOM 569 C HIS A 57 -1.186 17.618 4.535 1.00 32.12 C ATOM 570 O HIS A 57 -0.402 17.666 5.484 1.00 2.24 O ATOM 571 CB HIS A 57 -0.091 19.508 3.316 1.00 5.31 C ATOM 572 CG HIS A 57 -0.911 20.526 4.047 1.00 63.24 C ATOM 573 ND1 HIS A 57 -1.034 20.548 5.420 1.00 24.20 N ATOM 574 CD2 HIS A 57 -1.650 21.562 3.588 1.00 24.11 C ATOM 575 CE1 HIS A 57 -1.816 21.552 5.773 1.00 23.40 C ATOM 576 NE2 HIS A 57 -2.202 22.185 4.681 1.00 2.32 N ATOM 0 H HIS A 57 -2.427 19.184 2.355 1.00 51.41 H new ATOM 0 HA HIS A 57 -0.098 17.448 2.703 1.00 40.15 H new ATOM 0 HB2 HIS A 57 0.851 19.365 3.845 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.155 19.894 2.327 1.00 5.31 H new ATOM 0 HD1 HIS A 57 -0.590 19.892 6.063 1.00 24.20 H new ATOM 0 HD2 HIS A 57 -1.782 21.846 2.554 1.00 24.11 H new ATOM 0 HE1 HIS A 57 -2.093 21.811 6.784 1.00 23.40 H new ATOM 584 N PHE A 58 -2.409 17.108 4.634 1.00 2.54 N ATOM 585 CA PHE A 58 -2.912 16.564 5.889 1.00 32.34 C ATOM 586 C PHE A 58 -3.365 15.117 5.712 1.00 21.42 C ATOM 587 O PHE A 58 -3.770 14.459 6.672 1.00 1.22 O ATOM 588 CB PHE A 58 -4.073 17.414 6.409 1.00 44.13 C ATOM 589 CG PHE A 58 -3.832 17.986 7.777 1.00 63.33 C ATOM 590 CD1 PHE A 58 -3.500 17.160 8.840 1.00 41.43 C ATOM 591 CD2 PHE A 58 -3.936 19.350 8.001 1.00 34.41 C ATOM 592 CE1 PHE A 58 -3.279 17.684 10.098 1.00 24.23 C ATOM 593 CE2 PHE A 58 -3.714 19.879 9.258 1.00 33.51 C ATOM 594 CZ PHE A 58 -3.384 19.045 10.307 1.00 25.44 C ATOM 0 H PHE A 58 -3.070 17.060 3.859 1.00 2.54 H new ATOM 0 HA PHE A 58 -2.101 16.586 6.617 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -4.257 18.230 5.710 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -4.977 16.805 6.433 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -3.413 16.095 8.682 1.00 41.43 H new ATOM 0 HD2 PHE A 58 -4.194 20.007 7.183 1.00 34.41 H new ATOM 0 HE1 PHE A 58 -3.024 17.030 10.919 1.00 24.23 H new ATOM 0 HE2 PHE A 58 -3.799 20.944 9.419 1.00 33.51 H new ATOM 0 HZ PHE A 58 -3.208 19.456 11.290 1.00 25.44 H new ATOM 604 N LEU A 59 -3.294 14.628 4.479 1.00 73.52 N ATOM 605 CA LEU A 59 -3.697 13.260 4.174 1.00 21.03 C ATOM 606 C LEU A 59 -2.761 12.256 4.838 1.00 4.40 C ATOM 607 O LEU A 59 -3.205 11.266 5.419 1.00 70.34 O ATOM 608 CB LEU A 59 -3.713 13.037 2.661 1.00 12.42 C ATOM 609 CG LEU A 59 -4.392 14.125 1.829 1.00 71.50 C ATOM 610 CD1 LEU A 59 -4.085 13.937 0.352 1.00 21.32 C ATOM 611 CD2 LEU A 59 -5.895 14.120 2.068 1.00 33.44 C ATOM 0 H LEU A 59 -2.961 15.159 3.674 1.00 73.52 H new ATOM 0 HA LEU A 59 -4.702 13.107 4.568 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -2.683 12.935 2.318 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -4.212 12.089 2.459 1.00 12.42 H new ATOM 0 HG LEU A 59 -3.998 15.092 2.141 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -4.577 14.721 -0.224 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -3.008 13.992 0.194 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -4.450 12.963 0.026 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -6.361 14.901 1.468 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -6.305 13.151 1.785 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -6.096 14.305 3.123 1.00 33.44 H new ATOM 623 N GLY A 60 -1.460 12.519 4.750 1.00 54.22 N ATOM 624 CA GLY A 60 -0.481 11.631 5.349 1.00 72.21 C ATOM 625 C GLY A 60 -0.133 12.025 6.771 1.00 1.35 C ATOM 626 O GLY A 60 0.892 11.604 7.306 1.00 11.54 O ATOM 0 H GLY A 60 -1.067 13.331 4.274 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -0.867 10.612 5.342 1.00 72.21 H new ATOM 0 HA3 GLY A 60 0.425 11.633 4.743 1.00 72.21 H new ATOM 630 N SER A 61 -0.989 12.838 7.384 1.00 4.14 N ATOM 631 CA SER A 61 -0.763 13.293 8.750 1.00 1.23 C ATOM 632 C SER A 61 -1.989 13.030 9.620 1.00 33.14 C ATOM 633 O SER A 61 -1.895 12.394 10.669 1.00 43.52 O ATOM 634 CB SER A 61 -0.426 14.786 8.764 1.00 13.14 C ATOM 635 OG SER A 61 0.616 15.064 9.685 1.00 63.22 O ATOM 0 H SER A 61 -1.844 13.194 6.956 1.00 4.14 H new ATOM 0 HA SER A 61 0.079 12.733 9.158 1.00 1.23 H new ATOM 0 HB2 SER A 61 -0.128 15.104 7.765 1.00 13.14 H new ATOM 0 HB3 SER A 61 -1.314 15.360 9.030 1.00 13.14 H new ATOM 0 HG SER A 61 0.814 16.024 9.675 1.00 63.22 H new ATOM 641 N ASN A 62 -3.140 13.525 9.175 1.00 31.22 N ATOM 642 CA ASN A 62 -4.386 13.345 9.912 1.00 31.45 C ATOM 643 C ASN A 62 -4.609 11.874 10.250 1.00 73.55 C ATOM 644 O ASN A 62 -4.052 10.986 9.606 1.00 54.32 O ATOM 645 CB ASN A 62 -5.566 13.878 9.096 1.00 13.43 C ATOM 646 CG ASN A 62 -6.667 14.441 9.974 1.00 23.14 C ATOM 647 OD1 ASN A 62 -7.555 13.713 10.418 1.00 61.15 O ATOM 648 ND2 ASN A 62 -6.614 15.743 10.229 1.00 20.24 N ATOM 0 H ASN A 62 -3.236 14.054 8.308 1.00 31.22 H new ATOM 0 HA ASN A 62 -4.314 13.907 10.843 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -5.214 14.654 8.417 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -5.971 13.075 8.480 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -7.328 16.178 10.814 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -5.860 16.309 9.840 1.00 20.24 H new ATOM 655 N VAL A 63 -5.430 11.624 11.266 1.00 25.41 N ATOM 656 CA VAL A 63 -5.729 10.262 11.689 1.00 4.52 C ATOM 657 C VAL A 63 -6.170 9.405 10.508 1.00 61.11 C ATOM 658 O VAL A 63 -5.721 8.270 10.350 1.00 32.03 O ATOM 659 CB VAL A 63 -6.830 10.239 12.766 1.00 61.31 C ATOM 660 CG1 VAL A 63 -8.046 11.030 12.306 1.00 74.22 C ATOM 661 CG2 VAL A 63 -7.213 8.806 13.105 1.00 12.02 C ATOM 0 H VAL A 63 -5.899 12.347 11.811 1.00 25.41 H new ATOM 0 HA VAL A 63 -4.811 9.851 12.109 1.00 4.52 H new ATOM 0 HB VAL A 63 -6.441 10.711 13.668 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -8.813 11.002 13.080 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -7.758 12.064 12.118 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.440 10.591 11.389 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -7.992 8.808 13.867 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -7.583 8.307 12.210 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -6.339 8.275 13.481 1.00 12.02 H new ATOM 671 N MET A 64 -7.053 9.954 9.682 1.00 61.20 N ATOM 672 CA MET A 64 -7.555 9.239 8.513 1.00 3.10 C ATOM 673 C MET A 64 -7.989 7.825 8.886 1.00 70.24 C ATOM 674 O MET A 64 -7.524 6.849 8.299 1.00 33.41 O ATOM 675 CB MET A 64 -6.482 9.185 7.424 1.00 12.44 C ATOM 676 CG MET A 64 -6.427 10.436 6.563 1.00 21.14 C ATOM 677 SD MET A 64 -7.113 10.177 4.915 1.00 63.40 S ATOM 678 CE MET A 64 -8.836 10.579 5.199 1.00 12.42 C ATOM 0 H MET A 64 -7.437 10.892 9.799 1.00 61.20 H new ATOM 0 HA MET A 64 -8.423 9.778 8.132 1.00 3.10 H new ATOM 0 HB2 MET A 64 -5.509 9.032 7.891 1.00 12.44 H new ATOM 0 HB3 MET A 64 -6.668 8.322 6.785 1.00 12.44 H new ATOM 0 HG2 MET A 64 -6.975 11.238 7.058 1.00 21.14 H new ATOM 0 HG3 MET A 64 -5.392 10.765 6.474 1.00 21.14 H new ATOM 0 HE1 MET A 64 -9.289 10.916 4.267 1.00 12.42 H new ATOM 0 HE2 MET A 64 -9.361 9.694 5.559 1.00 12.42 H new ATOM 0 HE3 MET A 64 -8.907 11.371 5.944 1.00 12.42 H new ATOM 688 N GLU A 65 -8.882 7.725 9.866 1.00 11.45 N ATOM 689 CA GLU A 65 -9.377 6.429 10.316 1.00 22.43 C ATOM 690 C GLU A 65 -10.684 6.071 9.612 1.00 24.51 C ATOM 691 O GLU A 65 -11.213 6.857 8.828 1.00 55.23 O ATOM 692 CB GLU A 65 -9.588 6.438 11.832 1.00 74.14 C ATOM 693 CG GLU A 65 -8.693 5.462 12.577 1.00 45.31 C ATOM 694 CD GLU A 65 -9.292 5.011 13.895 1.00 75.44 C ATOM 695 OE1 GLU A 65 -10.044 5.801 14.505 1.00 64.44 O ATOM 696 OE2 GLU A 65 -9.009 3.871 14.317 1.00 62.30 O ATOM 0 H GLU A 65 -9.277 8.524 10.362 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.630 5.676 10.064 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -9.407 7.444 12.210 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -10.630 6.199 12.047 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -8.510 4.591 11.948 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -7.726 5.930 12.763 1.00 45.31 H new ATOM 703 N GLU A 66 -11.195 4.878 9.899 1.00 13.11 N ATOM 704 CA GLU A 66 -12.438 4.415 9.292 1.00 23.52 C ATOM 705 C GLU A 66 -13.583 5.375 9.597 1.00 74.04 C ATOM 706 O GLU A 66 -14.356 5.736 8.710 1.00 23.44 O ATOM 707 CB GLU A 66 -12.785 3.013 9.796 1.00 2.44 C ATOM 708 CG GLU A 66 -12.829 2.903 11.310 1.00 3.43 C ATOM 709 CD GLU A 66 -12.974 1.471 11.788 1.00 41.24 C ATOM 710 OE1 GLU A 66 -14.124 1.000 11.912 1.00 4.50 O ATOM 711 OE2 GLU A 66 -11.936 0.822 12.037 1.00 43.30 O ATOM 0 H GLU A 66 -10.769 4.215 10.547 1.00 13.11 H new ATOM 0 HA GLU A 66 -12.295 4.380 8.212 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -13.754 2.720 9.391 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -12.051 2.306 9.410 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -11.918 3.331 11.728 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -13.662 3.495 11.689 1.00 3.43 H new ATOM 718 N GLN A 67 -13.685 5.785 10.857 1.00 72.24 N ATOM 719 CA GLN A 67 -14.736 6.702 11.279 1.00 45.32 C ATOM 720 C GLN A 67 -14.577 8.061 10.605 1.00 64.44 C ATOM 721 O GLN A 67 -15.549 8.647 10.129 1.00 22.22 O ATOM 722 CB GLN A 67 -14.716 6.868 12.800 1.00 34.34 C ATOM 723 CG GLN A 67 -16.095 7.070 13.407 1.00 20.25 C ATOM 724 CD GLN A 67 -16.785 5.761 13.736 1.00 13.13 C ATOM 725 OE1 GLN A 67 -16.359 5.028 14.629 1.00 43.45 O ATOM 726 NE2 GLN A 67 -17.859 5.460 13.014 1.00 40.24 N ATOM 0 H GLN A 67 -13.052 5.496 11.603 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.695 6.279 10.979 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -14.256 5.987 13.248 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -14.087 7.720 13.056 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -16.004 7.667 14.315 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -16.714 7.638 12.712 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -18.177 6.097 12.283 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -18.365 4.592 13.190 1.00 40.24 H new ATOM 735 N ASP A 68 -13.344 8.556 10.568 1.00 4.04 N ATOM 736 CA ASP A 68 -13.057 9.846 9.951 1.00 33.33 C ATOM 737 C ASP A 68 -13.630 9.912 8.539 1.00 4.50 C ATOM 738 O ASP A 68 -14.197 10.929 8.135 1.00 73.34 O ATOM 739 CB ASP A 68 -11.548 10.093 9.914 1.00 2.30 C ATOM 740 CG ASP A 68 -11.133 11.272 10.772 1.00 73.53 C ATOM 741 OD1 ASP A 68 -11.803 11.526 11.796 1.00 32.30 O ATOM 742 OD2 ASP A 68 -10.140 11.941 10.421 1.00 64.33 O ATOM 0 H ASP A 68 -12.528 8.084 10.958 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.530 10.622 10.553 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -11.028 9.198 10.255 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -11.237 10.269 8.884 1.00 2.30 H new ATOM 747 N LEU A 69 -13.478 8.825 7.793 1.00 54.14 N ATOM 748 CA LEU A 69 -13.980 8.759 6.424 1.00 21.05 C ATOM 749 C LEU A 69 -15.504 8.701 6.405 1.00 72.33 C ATOM 750 O LEU A 69 -16.142 9.194 5.476 1.00 32.02 O ATOM 751 CB LEU A 69 -13.402 7.538 5.705 1.00 63.04 C ATOM 752 CG LEU A 69 -11.902 7.302 5.885 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.620 5.828 6.135 1.00 43.12 C ATOM 754 CD2 LEU A 69 -11.134 7.795 4.667 1.00 20.54 C ATOM 0 H LEU A 69 -13.011 7.976 8.112 1.00 54.14 H new ATOM 0 HA LEU A 69 -13.663 9.663 5.903 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.933 6.652 6.052 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.609 7.637 4.639 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.566 7.868 6.754 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.548 5.679 6.261 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -12.139 5.506 7.038 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -11.971 5.241 5.286 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -10.068 7.619 4.813 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.473 7.257 3.781 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.310 8.862 4.533 1.00 20.54 H new ATOM 766 N ARG A 70 -16.080 8.095 7.438 1.00 23.24 N ATOM 767 CA ARG A 70 -17.530 7.973 7.540 1.00 72.12 C ATOM 768 C ARG A 70 -18.162 9.307 7.923 1.00 55.23 C ATOM 769 O ARG A 70 -19.227 9.668 7.422 1.00 53.31 O ATOM 770 CB ARG A 70 -17.901 6.905 8.571 1.00 3.23 C ATOM 771 CG ARG A 70 -19.382 6.563 8.587 1.00 42.20 C ATOM 772 CD ARG A 70 -19.606 5.064 8.706 1.00 62.45 C ATOM 773 NE ARG A 70 -20.815 4.635 8.007 1.00 4.14 N ATOM 774 CZ ARG A 70 -21.282 3.392 8.045 1.00 70.41 C ATOM 775 NH1 ARG A 70 -20.647 2.461 8.744 1.00 24.21 N ATOM 776 NH2 ARG A 70 -22.389 3.078 7.383 1.00 34.32 N ATOM 0 H ARG A 70 -15.566 7.681 8.216 1.00 23.24 H new ATOM 0 HA ARG A 70 -17.915 7.676 6.564 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -17.330 6.000 8.366 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.606 7.250 9.562 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.865 7.072 9.421 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.851 6.931 7.675 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -18.744 4.535 8.299 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -19.679 4.791 9.759 1.00 62.45 H new ATOM 0 HE ARG A 70 -21.328 5.327 7.461 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -19.797 2.698 9.255 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -21.009 1.508 8.771 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -22.881 3.791 6.845 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -22.747 2.123 7.412 1.00 34.32 H new ATOM 790 N ASP A 71 -17.499 10.036 8.815 1.00 53.33 N ATOM 791 CA ASP A 71 -17.996 11.331 9.265 1.00 60.01 C ATOM 792 C ASP A 71 -18.094 12.311 8.100 1.00 72.41 C ATOM 793 O ASP A 71 -19.013 13.128 8.039 1.00 71.35 O ATOM 794 CB ASP A 71 -17.083 11.901 10.352 1.00 14.22 C ATOM 795 CG ASP A 71 -17.442 13.328 10.720 1.00 62.44 C ATOM 796 OD1 ASP A 71 -18.649 13.636 10.793 1.00 31.13 O ATOM 797 OD2 ASP A 71 -16.514 14.136 10.933 1.00 72.31 O ATOM 0 H ASP A 71 -16.616 9.752 9.240 1.00 53.33 H new ATOM 0 HA ASP A 71 -18.994 11.186 9.678 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -17.145 11.273 11.241 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.049 11.866 10.009 1.00 14.22 H new ATOM 802 N ILE A 72 -17.142 12.222 7.178 1.00 1.12 N ATOM 803 CA ILE A 72 -17.121 13.101 6.015 1.00 75.31 C ATOM 804 C ILE A 72 -18.112 12.632 4.955 1.00 44.42 C ATOM 805 O ILE A 72 -18.578 13.422 4.135 1.00 12.52 O ATOM 806 CB ILE A 72 -15.715 13.176 5.390 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.269 11.790 4.920 1.00 55.23 C ATOM 808 CG2 ILE A 72 -14.721 13.748 6.390 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.044 11.818 4.034 1.00 0.34 C ATOM 0 H ILE A 72 -16.375 11.550 7.213 1.00 1.12 H new ATOM 0 HA ILE A 72 -17.407 14.093 6.364 1.00 75.31 H new ATOM 0 HB ILE A 72 -15.752 13.838 4.525 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -15.063 11.169 5.791 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.089 11.318 4.378 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -13.732 13.795 5.934 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.034 14.751 6.681 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -14.684 13.109 7.272 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -13.785 10.801 3.739 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.252 12.412 3.144 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.211 12.261 4.579 1.00 0.34 H new ATOM 821 N GLY A 73 -18.432 11.342 4.980 1.00 1.12 N ATOM 822 CA GLY A 73 -19.366 10.790 4.017 1.00 1.33 C ATOM 823 C GLY A 73 -18.957 9.414 3.533 1.00 11.10 C ATOM 824 O GLY A 73 -19.796 8.526 3.383 1.00 73.00 O ATOM 0 H GLY A 73 -18.061 10.669 5.651 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.357 10.733 4.468 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -19.443 11.464 3.163 1.00 1.33 H new ATOM 828 N ILE A 74 -17.663 9.237 3.285 1.00 51.04 N ATOM 829 CA ILE A 74 -17.145 7.959 2.813 1.00 31.22 C ATOM 830 C ILE A 74 -17.414 6.851 3.826 1.00 75.21 C ATOM 831 O ILE A 74 -16.730 6.745 4.843 1.00 30.33 O ATOM 832 CB ILE A 74 -15.631 8.033 2.540 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.314 9.211 1.616 1.00 61.11 C ATOM 834 CG2 ILE A 74 -15.139 6.729 1.930 1.00 22.03 C ATOM 835 CD1 ILE A 74 -13.841 9.353 1.300 1.00 70.13 C ATOM 0 H ILE A 74 -16.955 9.962 3.403 1.00 51.04 H new ATOM 0 HA ILE A 74 -17.663 7.731 1.882 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.113 8.188 3.487 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -15.867 9.090 0.684 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -15.668 10.132 2.080 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -14.067 6.796 1.743 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.336 5.908 2.619 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -15.661 6.547 0.990 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -13.691 10.208 0.641 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.284 9.505 2.224 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.486 8.448 0.807 1.00 70.13 H new ATOM 847 N SER A 75 -18.412 6.023 3.536 1.00 25.45 N ATOM 848 CA SER A 75 -18.774 4.922 4.422 1.00 13.40 C ATOM 849 C SER A 75 -18.563 3.578 3.731 1.00 74.40 C ATOM 850 O SER A 75 -18.491 2.536 4.383 1.00 20.24 O ATOM 851 CB SER A 75 -20.230 5.055 4.868 1.00 21.25 C ATOM 852 OG SER A 75 -21.072 5.374 3.773 1.00 33.10 O ATOM 0 H SER A 75 -18.985 6.093 2.695 1.00 25.45 H new ATOM 0 HA SER A 75 -18.128 4.967 5.299 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.560 4.122 5.325 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.311 5.830 5.631 1.00 21.25 H new ATOM 0 HG SER A 75 -21.998 5.452 4.084 1.00 33.10 H new ATOM 858 N ASP A 76 -18.463 3.610 2.407 1.00 53.52 N ATOM 859 CA ASP A 76 -18.259 2.395 1.626 1.00 32.34 C ATOM 860 C ASP A 76 -16.896 1.779 1.925 1.00 34.05 C ATOM 861 O ASP A 76 -15.938 2.470 2.272 1.00 20.20 O ATOM 862 CB ASP A 76 -18.379 2.698 0.131 1.00 33.23 C ATOM 863 CG ASP A 76 -19.709 2.253 -0.445 1.00 62.33 C ATOM 864 OD1 ASP A 76 -20.757 2.712 0.058 1.00 10.22 O ATOM 865 OD2 ASP A 76 -19.703 1.448 -1.399 1.00 35.40 O ATOM 0 H ASP A 76 -18.520 4.464 1.852 1.00 53.52 H new ATOM 0 HA ASP A 76 -19.031 1.678 1.907 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.256 3.769 -0.031 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.570 2.200 -0.404 1.00 33.23 H new ATOM 870 N PRO A 77 -16.804 0.448 1.788 1.00 11.41 N ATOM 871 CA PRO A 77 -15.563 -0.291 2.040 1.00 74.34 C ATOM 872 C PRO A 77 -14.499 -0.011 0.984 1.00 3.05 C ATOM 873 O PRO A 77 -13.337 0.229 1.311 1.00 54.31 O ATOM 874 CB PRO A 77 -16.004 -1.756 1.980 1.00 62.34 C ATOM 875 CG PRO A 77 -17.219 -1.751 1.118 1.00 3.44 C ATOM 876 CD PRO A 77 -17.906 -0.439 1.377 1.00 12.32 C ATOM 0 HA PRO A 77 -15.105 -0.009 2.988 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -15.222 -2.388 1.558 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -16.226 -2.144 2.974 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -16.951 -1.850 0.066 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -17.873 -2.588 1.361 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -18.410 -0.067 0.485 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.662 -0.528 2.157 1.00 12.32 H new ATOM 884 N GLN A 78 -14.904 -0.043 -0.282 1.00 22.03 N ATOM 885 CA GLN A 78 -13.983 0.207 -1.384 1.00 20.20 C ATOM 886 C GLN A 78 -13.628 1.687 -1.472 1.00 31.22 C ATOM 887 O GLN A 78 -12.735 2.079 -2.225 1.00 34.23 O ATOM 888 CB GLN A 78 -14.598 -0.261 -2.705 1.00 23.11 C ATOM 889 CG GLN A 78 -15.054 -1.710 -2.685 1.00 52.33 C ATOM 890 CD GLN A 78 -15.285 -2.270 -4.075 1.00 11.41 C ATOM 891 OE1 GLN A 78 -15.531 -1.523 -5.023 1.00 41.05 O ATOM 892 NE2 GLN A 78 -15.209 -3.589 -4.203 1.00 41.45 N ATOM 0 H GLN A 78 -15.863 -0.239 -0.569 1.00 22.03 H new ATOM 0 HA GLN A 78 -13.069 -0.356 -1.196 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -15.450 0.376 -2.945 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -13.867 -0.130 -3.503 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -14.305 -2.315 -2.174 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -15.976 -1.789 -2.108 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -15.003 -4.169 -3.390 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -15.357 -4.022 -5.114 1.00 41.45 H new ATOM 901 N HIS A 79 -14.330 2.506 -0.695 1.00 40.31 N ATOM 902 CA HIS A 79 -14.087 3.945 -0.684 1.00 53.12 C ATOM 903 C HIS A 79 -13.342 4.361 0.581 1.00 14.42 C ATOM 904 O HIS A 79 -12.725 5.425 0.628 1.00 71.44 O ATOM 905 CB HIS A 79 -15.408 4.707 -0.786 1.00 4.55 C ATOM 906 CG HIS A 79 -16.117 4.507 -2.090 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.266 5.186 -2.434 1.00 23.33 N ATOM 908 CD2 HIS A 79 -15.831 3.699 -3.138 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.658 4.803 -3.637 1.00 34.04 C ATOM 910 NE2 HIS A 79 -16.804 3.901 -4.086 1.00 70.41 N ATOM 0 H HIS A 79 -15.071 2.198 -0.065 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.467 4.190 -1.546 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -16.063 4.392 0.026 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.216 5.771 -0.646 1.00 4.55 H new ATOM 0 HD2 HIS A 79 -14.993 3.022 -3.214 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.529 5.166 -4.163 1.00 34.04 H new ATOM 0 HE2 HIS A 79 -16.858 3.431 -4.990 1.00 70.41 H new ATOM 918 N ARG A 80 -13.405 3.515 1.604 1.00 4.22 N ATOM 919 CA ARG A 80 -12.738 3.796 2.869 1.00 30.13 C ATOM 920 C ARG A 80 -11.294 3.303 2.844 1.00 13.34 C ATOM 921 O ARG A 80 -10.384 3.991 3.307 1.00 23.11 O ATOM 922 CB ARG A 80 -13.493 3.137 4.025 1.00 5.54 C ATOM 923 CG ARG A 80 -14.333 4.110 4.837 1.00 32.10 C ATOM 924 CD ARG A 80 -14.656 3.553 6.214 1.00 61.34 C ATOM 925 NE ARG A 80 -15.797 2.642 6.183 1.00 63.42 N ATOM 926 CZ ARG A 80 -15.688 1.334 5.975 1.00 71.04 C ATOM 927 NH1 ARG A 80 -14.496 0.787 5.782 1.00 64.32 N ATOM 928 NH2 ARG A 80 -16.774 0.571 5.961 1.00 51.11 N ATOM 0 H ARG A 80 -13.911 2.630 1.581 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.732 4.876 3.016 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -14.140 2.356 3.627 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.776 2.650 4.686 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.799 5.054 4.942 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -15.259 4.325 4.304 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -13.785 3.029 6.606 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -14.868 4.376 6.897 1.00 61.34 H new ATOM 0 HE ARG A 80 -16.729 3.031 6.329 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -13.659 1.370 5.793 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -14.415 -0.217 5.623 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -17.693 0.989 6.110 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -16.690 -0.433 5.801 1.00 51.11 H new ATOM 942 N ARG A 81 -11.093 2.105 2.302 1.00 52.33 N ATOM 943 CA ARG A 81 -9.760 1.519 2.219 1.00 13.14 C ATOM 944 C ARG A 81 -8.920 2.229 1.161 1.00 31.35 C ATOM 945 O ARG A 81 -7.711 2.397 1.323 1.00 21.33 O ATOM 946 CB ARG A 81 -9.855 0.027 1.895 1.00 64.45 C ATOM 947 CG ARG A 81 -9.273 -0.869 2.975 1.00 51.20 C ATOM 948 CD ARG A 81 -7.791 -0.601 3.182 1.00 20.30 C ATOM 949 NE ARG A 81 -7.021 -1.837 3.293 1.00 44.34 N ATOM 950 CZ ARG A 81 -5.720 -1.872 3.560 1.00 62.31 C ATOM 951 NH1 ARG A 81 -5.047 -0.744 3.744 1.00 63.52 N ATOM 952 NH2 ARG A 81 -5.090 -3.037 3.645 1.00 72.44 N ATOM 0 H ARG A 81 -11.835 1.522 1.915 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.274 1.643 3.187 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -10.901 -0.237 1.741 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -9.336 -0.166 0.956 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -9.807 -0.707 3.911 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -9.420 -1.914 2.701 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -7.410 -0.010 2.349 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -7.653 -0.006 4.085 1.00 20.30 H new ATOM 0 HE ARG A 81 -7.509 -2.722 3.158 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -5.528 0.153 3.681 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -4.048 -0.774 3.949 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -5.605 -3.906 3.505 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -4.091 -3.063 3.850 1.00 72.44 H new ATOM 966 N LYS A 82 -9.568 2.640 0.076 1.00 13.53 N ATOM 967 CA LYS A 82 -8.882 3.332 -1.009 1.00 64.41 C ATOM 968 C LYS A 82 -8.394 4.705 -0.557 1.00 20.04 C ATOM 969 O LYS A 82 -7.278 5.116 -0.881 1.00 33.00 O ATOM 970 CB LYS A 82 -9.813 3.481 -2.215 1.00 4.21 C ATOM 971 CG LYS A 82 -9.090 3.438 -3.550 1.00 41.51 C ATOM 972 CD LYS A 82 -9.802 2.533 -4.541 1.00 45.43 C ATOM 973 CE LYS A 82 -9.239 1.120 -4.509 1.00 33.41 C ATOM 974 NZ LYS A 82 -9.191 0.513 -5.868 1.00 53.50 N ATOM 0 H LYS A 82 -10.568 2.506 -0.075 1.00 13.53 H new ATOM 0 HA LYS A 82 -8.016 2.736 -1.297 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.558 2.686 -2.189 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.352 4.425 -2.133 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -9.021 4.446 -3.960 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -8.070 3.084 -3.401 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -10.867 2.507 -4.311 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -9.703 2.943 -5.546 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -8.236 1.138 -4.083 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -9.852 0.499 -3.855 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -8.802 -0.449 -5.805 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -10.152 0.473 -6.264 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -8.586 1.091 -6.485 1.00 53.50 H new ATOM 988 N LEU A 83 -9.235 5.409 0.192 1.00 25.51 N ATOM 989 CA LEU A 83 -8.888 6.736 0.689 1.00 70.13 C ATOM 990 C LEU A 83 -7.849 6.646 1.803 1.00 75.12 C ATOM 991 O LEU A 83 -7.170 7.625 2.114 1.00 34.51 O ATOM 992 CB LEU A 83 -10.139 7.453 1.201 1.00 44.33 C ATOM 993 CG LEU A 83 -10.306 8.908 0.762 1.00 35.54 C ATOM 994 CD1 LEU A 83 -9.198 9.771 1.345 1.00 35.52 C ATOM 995 CD2 LEU A 83 -10.320 9.008 -0.756 1.00 61.21 C ATOM 0 H LEU A 83 -10.161 5.084 0.468 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.461 7.306 -0.136 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -11.014 6.893 0.873 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -10.131 7.422 2.291 1.00 44.33 H new ATOM 0 HG LEU A 83 -11.261 9.275 1.139 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -9.333 10.803 1.022 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -9.234 9.724 2.433 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -8.231 9.406 0.998 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -10.440 10.051 -1.051 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -9.381 8.624 -1.155 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -11.149 8.422 -1.152 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.727 5.464 2.397 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.768 5.245 3.474 1.00 3.44 C ATOM 1009 C LEU A 84 -5.445 4.720 2.926 1.00 72.44 C ATOM 1010 O LEU A 84 -4.387 4.954 3.509 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.337 4.258 4.496 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.740 4.850 5.848 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.507 6.149 5.654 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.572 3.851 6.640 1.00 42.04 C ATOM 0 H LEU A 84 -8.280 4.643 2.151 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.584 6.201 3.964 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -8.211 3.776 4.058 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.596 3.478 4.670 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.834 5.068 6.413 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.786 6.556 6.626 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.879 6.867 5.127 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.407 5.956 5.070 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.850 4.288 7.599 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.473 3.603 6.079 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.989 2.946 6.810 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.514 4.014 1.803 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.320 3.458 1.176 1.00 44.01 C ATOM 1028 C GLN A 85 -3.574 4.527 0.384 1.00 32.52 C ATOM 1029 O GLN A 85 -2.344 4.563 0.376 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.695 2.295 0.258 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.624 1.220 0.169 1.00 71.24 C ATOM 1032 CD GLN A 85 -3.767 0.355 -1.069 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -4.385 -0.709 -1.028 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -3.193 0.808 -2.178 1.00 23.34 N ATOM 0 H GLN A 85 -6.383 3.813 1.308 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.663 3.091 1.965 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.621 1.845 0.616 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -4.894 2.682 -0.742 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -2.641 1.691 0.167 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -3.673 0.589 1.056 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -2.691 1.696 -2.166 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -3.255 0.268 -3.041 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.327 5.397 -0.282 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.738 6.468 -1.076 1.00 23.11 C ATOM 1045 C ALA A 86 -3.208 7.585 -0.184 1.00 41.35 C ATOM 1046 O ALA A 86 -2.365 8.379 -0.601 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.757 7.016 -2.063 1.00 11.45 C ATOM 0 H ALA A 86 -5.347 5.381 -0.287 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.897 6.054 -1.632 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.303 7.815 -2.649 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -5.084 6.218 -2.730 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.616 7.408 -1.519 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.708 7.641 1.046 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.285 8.661 1.998 1.00 1.44 C ATOM 1055 C ALA A 87 -2.025 8.229 2.741 1.00 72.32 C ATOM 1056 O ALA A 87 -1.085 9.009 2.894 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.404 8.961 2.983 1.00 23.42 C ATOM 0 H ALA A 87 -4.407 6.992 1.407 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.054 9.569 1.441 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.074 9.724 3.688 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.279 9.321 2.441 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.663 8.053 3.527 1.00 23.42 H new ATOM 1063 N ARG A 88 -2.013 6.983 3.201 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.870 6.448 3.931 1.00 15.24 C ATOM 1065 C ARG A 88 0.330 6.271 3.006 1.00 1.23 C ATOM 1066 O ARG A 88 1.478 6.281 3.451 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.231 5.109 4.577 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.235 5.147 6.096 1.00 20.20 C ATOM 1069 CD ARG A 88 -2.624 4.883 6.656 1.00 33.11 C ATOM 1070 NE ARG A 88 -2.577 4.110 7.894 1.00 14.11 N ATOM 1071 CZ ARG A 88 -2.355 2.801 7.934 1.00 23.21 C ATOM 1072 NH1 ARG A 88 -2.160 2.123 6.812 1.00 42.15 N ATOM 1073 NH2 ARG A 88 -2.327 2.167 9.100 1.00 35.20 N ATOM 0 H ARG A 88 -2.782 6.324 3.081 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.604 7.160 4.712 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -2.216 4.800 4.227 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -0.522 4.351 4.243 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -0.538 4.402 6.482 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -0.883 6.120 6.438 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -3.127 5.832 6.840 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -3.217 4.346 5.916 1.00 33.11 H new ATOM 0 HE ARG A 88 -2.723 4.602 8.776 1.00 14.11 H new ATOM 0 HH11 ARG A 88 -2.180 2.606 5.914 1.00 42.15 H new ATOM 0 HH12 ARG A 88 -1.990 1.118 6.847 1.00 42.15 H new ATOM 0 HH21 ARG A 88 -2.476 2.685 9.966 1.00 35.20 H new ATOM 0 HH22 ARG A 88 -2.156 1.162 9.130 1.00 35.20 H new ATOM 1087 N SER A 89 0.057 6.109 1.714 1.00 60.43 N ATOM 1088 CA SER A 89 1.114 5.926 0.726 1.00 31.34 C ATOM 1089 C SER A 89 1.040 7.000 -0.354 1.00 64.31 C ATOM 1090 O SER A 89 1.020 6.696 -1.547 1.00 22.54 O ATOM 1091 CB SER A 89 1.012 4.538 0.090 1.00 41.01 C ATOM 1092 OG SER A 89 1.264 3.520 1.043 1.00 40.14 O ATOM 0 H SER A 89 -0.887 6.101 1.328 1.00 60.43 H new ATOM 0 HA SER A 89 2.073 6.014 1.236 1.00 31.34 H new ATOM 0 HB2 SER A 89 0.018 4.403 -0.337 1.00 41.01 H new ATOM 0 HB3 SER A 89 1.725 4.457 -0.730 1.00 41.01 H new ATOM 0 HG SER A 89 1.191 2.643 0.612 1.00 40.14 H new ATOM 1098 N LEU A 90 0.999 8.258 0.072 1.00 13.20 N ATOM 1099 CA LEU A 90 0.927 9.379 -0.858 1.00 20.50 C ATOM 1100 C LEU A 90 2.133 9.390 -1.792 1.00 33.31 C ATOM 1101 O LEU A 90 3.173 8.794 -1.509 1.00 24.22 O ATOM 1102 CB LEU A 90 0.850 10.700 -0.089 1.00 31.32 C ATOM 1103 CG LEU A 90 -0.547 11.142 0.346 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -0.528 11.626 1.788 1.00 13.43 C ATOM 1105 CD2 LEU A 90 -1.075 12.230 -0.577 1.00 41.41 C ATOM 0 H LEU A 90 1.014 8.527 1.056 1.00 13.20 H new ATOM 0 HA LEU A 90 0.026 9.263 -1.460 1.00 20.50 H new ATOM 0 HB2 LEU A 90 1.476 10.617 0.799 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.281 11.485 -0.711 1.00 31.32 H new ATOM 0 HG LEU A 90 -1.215 10.284 0.281 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -1.531 11.937 2.081 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -0.194 10.818 2.439 1.00 13.43 H new ATOM 0 HD13 LEU A 90 0.155 12.471 1.879 1.00 13.43 H new ATOM 0 HD21 LEU A 90 -2.071 12.532 -0.251 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -0.406 13.090 -0.545 1.00 41.41 H new ATOM 0 HD23 LEU A 90 -1.127 11.848 -1.597 1.00 41.41 H new ATOM 1117 N PRO A 91 1.994 10.086 -2.930 1.00 61.04 N ATOM 1118 CA PRO A 91 3.063 10.194 -3.927 1.00 0.30 C ATOM 1119 C PRO A 91 4.230 11.043 -3.436 1.00 31.13 C ATOM 1120 O PRO A 91 5.324 11.000 -4.000 1.00 53.20 O ATOM 1121 CB PRO A 91 2.372 10.870 -5.115 1.00 50.35 C ATOM 1122 CG PRO A 91 1.240 11.628 -4.514 1.00 2.33 C ATOM 1123 CD PRO A 91 0.782 10.821 -3.331 1.00 23.44 C ATOM 0 HA PRO A 91 3.499 9.224 -4.165 1.00 0.30 H new ATOM 0 HB2 PRO A 91 3.055 11.533 -5.645 1.00 50.35 H new ATOM 0 HB3 PRO A 91 2.017 10.135 -5.837 1.00 50.35 H new ATOM 0 HG2 PRO A 91 1.557 12.625 -4.207 1.00 2.33 H new ATOM 0 HG3 PRO A 91 0.432 11.758 -5.234 1.00 2.33 H new ATOM 0 HD2 PRO A 91 0.415 11.459 -2.527 1.00 23.44 H new ATOM 0 HD3 PRO A 91 -0.030 10.143 -3.597 1.00 23.44 H new ATOM 1131 N LYS A 92 3.991 11.816 -2.382 1.00 32.51 N ATOM 1132 CA LYS A 92 5.022 12.675 -1.812 1.00 1.54 C ATOM 1133 C LYS A 92 5.254 12.346 -0.341 1.00 11.31 C ATOM 1134 O LYS A 92 5.432 13.242 0.485 1.00 11.14 O ATOM 1135 CB LYS A 92 4.629 14.146 -1.962 1.00 24.45 C ATOM 1136 CG LYS A 92 3.151 14.408 -1.732 1.00 34.54 C ATOM 1137 CD LYS A 92 2.749 14.111 -0.298 1.00 43.24 C ATOM 1138 CE LYS A 92 1.350 14.626 0.007 1.00 22.10 C ATOM 1139 NZ LYS A 92 1.375 16.015 0.545 1.00 24.23 N ATOM 0 H LYS A 92 3.091 11.865 -1.905 1.00 32.51 H new ATOM 0 HA LYS A 92 5.950 12.496 -2.355 1.00 1.54 H new ATOM 0 HB2 LYS A 92 5.209 14.742 -1.257 1.00 24.45 H new ATOM 0 HB3 LYS A 92 4.898 14.485 -2.962 1.00 24.45 H new ATOM 0 HG2 LYS A 92 2.924 15.448 -1.966 1.00 34.54 H new ATOM 0 HG3 LYS A 92 2.561 13.792 -2.411 1.00 34.54 H new ATOM 0 HD2 LYS A 92 2.788 13.036 -0.123 1.00 43.24 H new ATOM 0 HD3 LYS A 92 3.464 14.571 0.384 1.00 43.24 H new ATOM 0 HE2 LYS A 92 0.747 14.599 -0.901 1.00 22.10 H new ATOM 0 HE3 LYS A 92 0.869 13.966 0.729 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 0.430 16.268 0.897 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 2.062 16.073 1.324 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 1.651 16.675 -0.210 1.00 24.23 H new ATOM 1153 N VAL A 93 5.250 11.056 -0.020 1.00 22.10 N ATOM 1154 CA VAL A 93 5.462 10.609 1.352 1.00 41.34 C ATOM 1155 C VAL A 93 6.948 10.497 1.670 1.00 71.23 C ATOM 1156 O VAL A 93 7.746 10.090 0.826 1.00 62.52 O ATOM 1157 CB VAL A 93 4.788 9.248 1.609 1.00 15.35 C ATOM 1158 CG1 VAL A 93 5.400 8.174 0.722 1.00 45.14 C ATOM 1159 CG2 VAL A 93 4.902 8.867 3.077 1.00 64.23 C ATOM 0 H VAL A 93 5.102 10.302 -0.691 1.00 22.10 H new ATOM 0 HA VAL A 93 5.010 11.358 2.003 1.00 41.34 H new ATOM 0 HB VAL A 93 3.730 9.332 1.360 1.00 15.35 H new ATOM 0 HG11 VAL A 93 4.912 7.219 0.917 1.00 45.14 H new ATOM 0 HG12 VAL A 93 5.262 8.445 -0.325 1.00 45.14 H new ATOM 0 HG13 VAL A 93 6.465 8.088 0.937 1.00 45.14 H new ATOM 0 HG21 VAL A 93 4.421 7.903 3.241 1.00 64.23 H new ATOM 0 HG22 VAL A 93 5.954 8.799 3.355 1.00 64.23 H new ATOM 0 HG23 VAL A 93 4.413 9.625 3.689 1.00 64.23 H new ATOM 1169 N LYS A 94 7.314 10.860 2.895 1.00 33.11 N ATOM 1170 CA LYS A 94 8.705 10.800 3.327 1.00 74.13 C ATOM 1171 C LYS A 94 9.126 9.361 3.605 1.00 13.12 C ATOM 1172 O LYS A 94 10.276 8.986 3.377 1.00 64.04 O ATOM 1173 CB LYS A 94 8.909 11.653 4.582 1.00 63.31 C ATOM 1174 CG LYS A 94 8.104 11.175 5.779 1.00 1.04 C ATOM 1175 CD LYS A 94 8.979 10.442 6.782 1.00 2.13 C ATOM 1176 CE LYS A 94 8.310 10.354 8.145 1.00 55.41 C ATOM 1177 NZ LYS A 94 9.306 10.222 9.244 1.00 3.32 N ATOM 0 H LYS A 94 6.666 11.199 3.606 1.00 33.11 H new ATOM 0 HA LYS A 94 9.326 11.194 2.523 1.00 74.13 H new ATOM 0 HB2 LYS A 94 9.967 11.653 4.843 1.00 63.31 H new ATOM 0 HB3 LYS A 94 8.635 12.684 4.359 1.00 63.31 H new ATOM 0 HG2 LYS A 94 7.629 12.028 6.264 1.00 1.04 H new ATOM 0 HG3 LYS A 94 7.305 10.515 5.441 1.00 1.04 H new ATOM 0 HD2 LYS A 94 9.193 9.438 6.415 1.00 2.13 H new ATOM 0 HD3 LYS A 94 9.935 10.957 6.877 1.00 2.13 H new ATOM 0 HE2 LYS A 94 7.703 11.244 8.310 1.00 55.41 H new ATOM 0 HE3 LYS A 94 7.634 9.499 8.163 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 8.810 10.165 10.157 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 9.869 9.359 9.101 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 9.936 11.050 9.243 1.00 3.32 H new ATOM 1191 N ALA A 95 8.188 8.558 4.096 1.00 43.24 N ATOM 1192 CA ALA A 95 8.461 7.159 4.400 1.00 22.34 C ATOM 1193 C ALA A 95 8.680 6.352 3.125 1.00 53.05 C ATOM 1194 O ALA A 95 8.582 6.883 2.017 1.00 63.35 O ATOM 1195 CB ALA A 95 7.322 6.564 5.214 1.00 52.25 C ATOM 0 H ALA A 95 7.231 8.853 4.292 1.00 43.24 H new ATOM 0 HA ALA A 95 9.377 7.113 4.989 1.00 22.34 H new ATOM 0 HB1 ALA A 95 7.539 5.519 5.434 1.00 52.25 H new ATOM 0 HB2 ALA A 95 7.215 7.116 6.147 1.00 52.25 H new ATOM 0 HB3 ALA A 95 6.395 6.630 4.645 1.00 52.25 H new ATOM 1201 N LEU A 96 8.978 5.068 3.287 1.00 64.45 N ATOM 1202 CA LEU A 96 9.213 4.187 2.147 1.00 14.02 C ATOM 1203 C LEU A 96 7.921 3.941 1.375 1.00 34.44 C ATOM 1204 O LEU A 96 7.115 3.090 1.748 1.00 71.42 O ATOM 1205 CB LEU A 96 9.800 2.856 2.619 1.00 51.12 C ATOM 1206 CG LEU A 96 11.319 2.719 2.518 1.00 73.52 C ATOM 1207 CD1 LEU A 96 11.781 1.415 3.150 1.00 13.14 C ATOM 1208 CD2 LEU A 96 11.768 2.800 1.066 1.00 22.44 C ATOM 0 H LEU A 96 9.063 4.613 4.196 1.00 64.45 H new ATOM 0 HA LEU A 96 9.925 4.675 1.482 1.00 14.02 H new ATOM 0 HB2 LEU A 96 9.510 2.702 3.658 1.00 51.12 H new ATOM 0 HB3 LEU A 96 9.344 2.054 2.038 1.00 51.12 H new ATOM 0 HG LEU A 96 11.775 3.545 3.064 1.00 73.52 H new ATOM 0 HD11 LEU A 96 12.865 1.335 3.068 1.00 13.14 H new ATOM 0 HD12 LEU A 96 11.494 1.399 4.201 1.00 13.14 H new ATOM 0 HD13 LEU A 96 11.316 0.575 2.634 1.00 13.14 H new ATOM 0 HD21 LEU A 96 12.852 2.700 1.014 1.00 22.44 H new ATOM 0 HD22 LEU A 96 11.302 1.996 0.496 1.00 22.44 H new ATOM 0 HD23 LEU A 96 11.472 3.761 0.647 1.00 22.44 H new ATOM 1220 N GLY A 97 7.731 4.693 0.294 1.00 30.52 N ATOM 1221 CA GLY A 97 6.537 4.539 -0.515 1.00 24.04 C ATOM 1222 C GLY A 97 6.828 4.622 -2.000 1.00 63.23 C ATOM 1223 O GLY A 97 7.927 4.289 -2.445 1.00 25.44 O ATOM 0 H GLY A 97 8.383 5.405 -0.035 1.00 30.52 H new ATOM 0 HA2 GLY A 97 6.072 3.579 -0.292 1.00 24.04 H new ATOM 0 HA3 GLY A 97 5.817 5.312 -0.245 1.00 24.04 H new ATOM 1227 N TYR A 98 5.842 5.068 -2.771 1.00 25.14 N ATOM 1228 CA TYR A 98 5.996 5.190 -4.216 1.00 64.42 C ATOM 1229 C TYR A 98 5.127 6.318 -4.763 1.00 51.13 C ATOM 1230 O TYR A 98 4.065 6.619 -4.218 1.00 44.34 O ATOM 1231 CB TYR A 98 5.633 3.872 -4.902 1.00 63.01 C ATOM 1232 CG TYR A 98 6.770 3.270 -5.696 1.00 12.11 C ATOM 1233 CD1 TYR A 98 7.094 3.753 -6.959 1.00 14.42 C ATOM 1234 CD2 TYR A 98 7.519 2.218 -5.186 1.00 53.53 C ATOM 1235 CE1 TYR A 98 8.131 3.205 -7.689 1.00 72.14 C ATOM 1236 CE2 TYR A 98 8.559 1.665 -5.909 1.00 3.43 C ATOM 1237 CZ TYR A 98 8.861 2.162 -7.160 1.00 62.14 C ATOM 1238 OH TYR A 98 9.895 1.614 -7.882 1.00 14.41 O ATOM 0 H TYR A 98 4.927 5.351 -2.419 1.00 25.14 H new ATOM 0 HA TYR A 98 7.039 5.425 -4.426 1.00 64.42 H new ATOM 0 HB2 TYR A 98 5.309 3.156 -4.147 1.00 63.01 H new ATOM 0 HB3 TYR A 98 4.785 4.039 -5.567 1.00 63.01 H new ATOM 0 HD1 TYR A 98 6.525 4.571 -7.376 1.00 14.42 H new ATOM 0 HD2 TYR A 98 7.285 1.825 -4.208 1.00 53.53 H new ATOM 0 HE1 TYR A 98 8.369 3.592 -8.669 1.00 72.14 H new ATOM 0 HE2 TYR A 98 9.132 0.848 -5.497 1.00 3.43 H new ATOM 0 HH TYR A 98 10.307 0.890 -7.366 1.00 14.41 H new ATOM 1248 N ASP A 99 5.585 6.938 -5.845 1.00 64.12 N ATOM 1249 CA ASP A 99 4.851 8.032 -6.468 1.00 43.03 C ATOM 1250 C ASP A 99 4.417 7.659 -7.883 1.00 30.11 C ATOM 1251 O ASP A 99 4.806 6.616 -8.407 1.00 40.41 O ATOM 1252 CB ASP A 99 5.708 9.298 -6.502 1.00 22.25 C ATOM 1253 CG ASP A 99 6.800 9.230 -7.550 1.00 73.14 C ATOM 1254 OD1 ASP A 99 7.723 8.403 -7.393 1.00 62.33 O ATOM 1255 OD2 ASP A 99 6.732 10.004 -8.528 1.00 3.24 O ATOM 0 H ASP A 99 6.462 6.701 -6.309 1.00 64.12 H new ATOM 0 HA ASP A 99 3.959 8.223 -5.871 1.00 43.03 H new ATOM 0 HB2 ASP A 99 5.071 10.159 -6.701 1.00 22.25 H new ATOM 0 HB3 ASP A 99 6.158 9.455 -5.522 1.00 22.25 H new ATOM 1260 N GLY A 100 3.610 8.519 -8.496 1.00 30.40 N ATOM 1261 CA GLY A 100 3.137 8.262 -9.844 1.00 21.03 C ATOM 1262 C GLY A 100 1.636 8.429 -9.973 1.00 71.20 C ATOM 1263 O GLY A 100 0.867 7.647 -9.414 1.00 45.11 O ATOM 0 H GLY A 100 3.275 9.390 -8.083 1.00 30.40 H new ATOM 0 HA2 GLY A 100 3.636 8.940 -10.536 1.00 21.03 H new ATOM 0 HA3 GLY A 100 3.413 7.249 -10.136 1.00 21.03 H new ATOM 1267 N ASN A 101 1.217 9.453 -10.710 1.00 21.13 N ATOM 1268 CA ASN A 101 -0.203 9.721 -10.909 1.00 21.40 C ATOM 1269 C ASN A 101 -0.671 9.197 -12.263 1.00 52.20 C ATOM 1270 O ASN A 101 -0.411 8.047 -12.618 1.00 73.11 O ATOM 1271 CB ASN A 101 -0.478 11.223 -10.807 1.00 4.53 C ATOM 1272 CG ASN A 101 -0.506 11.709 -9.371 1.00 13.32 C ATOM 1273 OD1 ASN A 101 0.456 11.532 -8.625 1.00 64.14 O ATOM 1274 ND2 ASN A 101 -1.615 12.327 -8.978 1.00 14.14 N ATOM 0 H ASN A 101 1.840 10.110 -11.179 1.00 21.13 H new ATOM 0 HA ASN A 101 -0.759 9.203 -10.128 1.00 21.40 H new ATOM 0 HB2 ASN A 101 0.289 11.768 -11.357 1.00 4.53 H new ATOM 0 HB3 ASN A 101 -1.433 11.448 -11.283 1.00 4.53 H new ATOM 0 HD21 ASN A 101 -1.693 12.677 -8.023 1.00 14.14 H new ATOM 0 HD22 ASN A 101 -2.388 12.452 -9.631 1.00 14.14 H new TER 1281 ASN A 101