USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 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 74 THR OG1 : rot 180:sc= -0.112 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 THR OG1 : rot -24:sc= -0.88! USER MOD Set 2.2: A 34 LYS NZ :NH3+ -114:sc= 1.65 (180deg=-0.665) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= -0.772 (180deg=-2.32!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.016) USER MOD Single : A 42 ASN : amide:sc= -1.03 K(o=-1,f=-5.7!) USER MOD Single : A 46 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.044) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.465 K(o=-0.47,f=-6.5!) USER MOD Single : A 51 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.051) USER MOD Single : A 56 ASN : amide:sc= 0.357 K(o=0.36,f=-5.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.093 USER MOD Single : A 66 THR OG1 : rot -49:sc= 1.3 USER MOD Single : A 67 ASN : amide:sc= -0.771 K(o=-0.77,f=-11!) USER MOD Single : A 70 ASN : amide:sc= 0.155 K(o=0.16,f=-8!) USER MOD Single : A 79 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.56) USER MOD Single : A 84 ASN : amide:sc= -0.0179 K(o=-0.018,f=-2.2) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 94 HIS : no HE2:sc= 0.582 K(o=0.58,f=-1.9!) USER MOD Single : A 95 HIS : no HE2:sc= 0.623 K(o=0.62,f=-4.3!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.811 44.353 0.483 1.00 5.10 N ATOM 2 CA GLY A 1 -17.144 43.410 -0.457 1.00 70.33 C ATOM 3 C GLY A 1 -16.488 42.226 0.247 1.00 40.45 C ATOM 4 O GLY A 1 -15.267 42.186 0.402 1.00 61.31 O ATOM 0 H1 GLY A 1 -18.237 45.135 -0.054 1.00 5.10 H new ATOM 0 H2 GLY A 1 -18.553 43.850 1.011 1.00 5.10 H new ATOM 0 H3 GLY A 1 -17.109 44.733 1.150 1.00 5.10 H new ATOM 0 HA2 GLY A 1 -17.879 43.039 -1.172 1.00 70.33 H new ATOM 0 HA3 GLY A 1 -16.388 43.949 -1.028 1.00 70.33 H new ATOM 10 N ASP A 2 -17.298 41.258 0.676 1.00 4.21 N ATOM 11 CA ASP A 2 -16.787 40.061 1.353 1.00 55.23 C ATOM 12 C ASP A 2 -16.345 38.987 0.345 1.00 72.22 C ATOM 13 O ASP A 2 -16.484 39.156 -0.868 1.00 25.33 O ATOM 14 CB ASP A 2 -17.859 39.497 2.294 1.00 64.20 C ATOM 15 CG ASP A 2 -19.141 39.135 1.565 1.00 22.11 C ATOM 16 OD1 ASP A 2 -19.972 40.036 1.329 1.00 52.04 O ATOM 17 OD2 ASP A 2 -19.322 37.949 1.213 1.00 52.12 O ATOM 0 H ASP A 2 -18.312 41.277 0.568 1.00 4.21 H new ATOM 0 HA ASP A 2 -15.911 40.350 1.934 1.00 55.23 H new ATOM 0 HB2 ASP A 2 -17.468 38.612 2.796 1.00 64.20 H new ATOM 0 HB3 ASP A 2 -18.080 40.231 3.069 1.00 64.20 H new ATOM 22 N ARG A 3 -15.807 37.882 0.854 1.00 54.52 N ATOM 23 CA ARG A 3 -15.349 36.779 0.003 1.00 22.41 C ATOM 24 C ARG A 3 -16.151 35.499 0.274 1.00 24.51 C ATOM 25 O ARG A 3 -15.821 34.725 1.173 1.00 4.04 O ATOM 26 CB ARG A 3 -13.851 36.525 0.223 1.00 21.34 C ATOM 27 CG ARG A 3 -12.980 37.755 -0.020 1.00 4.05 C ATOM 28 CD ARG A 3 -13.113 38.281 -1.448 1.00 3.11 C ATOM 29 NE ARG A 3 -12.342 39.507 -1.651 1.00 20.41 N ATOM 30 CZ ARG A 3 -11.516 39.702 -2.644 1.00 10.11 C ATOM 31 NH1 ARG A 3 -11.329 38.790 -3.542 1.00 45.30 N ATOM 32 NH2 ARG A 3 -10.880 40.818 -2.739 1.00 52.33 N ATOM 0 H ARG A 3 -15.676 37.723 1.853 1.00 54.52 H new ATOM 0 HA ARG A 3 -15.512 37.065 -1.036 1.00 22.41 H new ATOM 0 HB2 ARG A 3 -13.696 36.177 1.244 1.00 21.34 H new ATOM 0 HB3 ARG A 3 -13.526 35.723 -0.440 1.00 21.34 H new ATOM 0 HG2 ARG A 3 -13.259 38.540 0.682 1.00 4.05 H new ATOM 0 HG3 ARG A 3 -11.938 37.505 0.178 1.00 4.05 H new ATOM 0 HD2 ARG A 3 -12.774 37.518 -2.149 1.00 3.11 H new ATOM 0 HD3 ARG A 3 -14.163 38.472 -1.668 1.00 3.11 H new ATOM 0 HE ARG A 3 -12.457 40.260 -0.972 1.00 20.41 H new ATOM 0 HH11 ARG A 3 -11.830 37.904 -3.481 1.00 45.30 H new ATOM 0 HH12 ARG A 3 -10.681 38.957 -4.311 1.00 45.30 H new ATOM 0 HH21 ARG A 3 -11.022 41.547 -2.040 1.00 52.33 H new ATOM 0 HH22 ARG A 3 -10.234 40.973 -3.513 1.00 52.33 H new ATOM 46 N ARG A 4 -17.217 35.294 -0.495 1.00 52.33 N ATOM 47 CA ARG A 4 -18.061 34.103 -0.340 1.00 11.22 C ATOM 48 C ARG A 4 -17.515 32.918 -1.153 1.00 24.32 C ATOM 49 O ARG A 4 -17.303 33.023 -2.363 1.00 34.14 O ATOM 50 CB ARG A 4 -19.501 34.413 -0.769 1.00 41.41 C ATOM 51 CG ARG A 4 -20.473 33.262 -0.533 1.00 44.02 C ATOM 52 CD ARG A 4 -21.895 33.615 -0.957 1.00 12.23 C ATOM 53 NE ARG A 4 -22.844 32.570 -0.585 1.00 44.25 N ATOM 54 CZ ARG A 4 -24.142 32.680 -0.689 1.00 42.11 C ATOM 55 NH1 ARG A 4 -24.677 33.724 -1.234 1.00 20.44 N ATOM 56 NH2 ARG A 4 -24.902 31.727 -0.267 1.00 2.05 N ATOM 0 H ARG A 4 -17.520 35.932 -1.231 1.00 52.33 H new ATOM 0 HA ARG A 4 -18.051 33.823 0.713 1.00 11.22 H new ATOM 0 HB2 ARG A 4 -19.852 35.290 -0.225 1.00 41.41 H new ATOM 0 HB3 ARG A 4 -19.508 34.671 -1.828 1.00 41.41 H new ATOM 0 HG2 ARG A 4 -20.137 32.385 -1.087 1.00 44.02 H new ATOM 0 HG3 ARG A 4 -20.466 32.993 0.523 1.00 44.02 H new ATOM 0 HD2 ARG A 4 -22.190 34.556 -0.493 1.00 12.23 H new ATOM 0 HD3 ARG A 4 -21.926 33.768 -2.036 1.00 12.23 H new ATOM 0 HE ARG A 4 -22.469 31.695 -0.219 1.00 44.25 H new ATOM 0 HH11 ARG A 4 -24.084 34.474 -1.589 1.00 20.44 H new ATOM 0 HH12 ARG A 4 -25.692 33.797 -1.309 1.00 20.44 H new ATOM 0 HH21 ARG A 4 -24.489 30.891 0.146 1.00 2.05 H new ATOM 0 HH22 ARG A 4 -25.916 31.810 -0.347 1.00 2.05 H new ATOM 70 N VAL A 5 -17.292 31.789 -0.486 1.00 43.43 N ATOM 71 CA VAL A 5 -16.764 30.591 -1.147 1.00 72.34 C ATOM 72 C VAL A 5 -17.889 29.751 -1.780 1.00 30.30 C ATOM 73 O VAL A 5 -18.921 29.490 -1.156 1.00 20.00 O ATOM 74 CB VAL A 5 -15.948 29.719 -0.155 1.00 14.04 C ATOM 75 CG1 VAL A 5 -16.803 29.294 1.040 1.00 45.41 C ATOM 76 CG2 VAL A 5 -15.347 28.500 -0.860 1.00 61.35 C ATOM 0 H VAL A 5 -17.468 31.675 0.512 1.00 43.43 H new ATOM 0 HA VAL A 5 -16.102 30.931 -1.943 1.00 72.34 H new ATOM 0 HB VAL A 5 -15.126 30.327 0.223 1.00 14.04 H new ATOM 0 HG11 VAL A 5 -16.205 28.685 1.717 1.00 45.41 H new ATOM 0 HG12 VAL A 5 -17.158 30.180 1.567 1.00 45.41 H new ATOM 0 HG13 VAL A 5 -17.657 28.714 0.689 1.00 45.41 H new ATOM 0 HG21 VAL A 5 -14.781 27.907 -0.142 1.00 61.35 H new ATOM 0 HG22 VAL A 5 -16.148 27.892 -1.282 1.00 61.35 H new ATOM 0 HG23 VAL A 5 -14.684 28.832 -1.659 1.00 61.35 H new ATOM 86 N ARG A 6 -17.694 29.345 -3.034 1.00 30.35 N ATOM 87 CA ARG A 6 -18.671 28.499 -3.726 1.00 41.12 C ATOM 88 C ARG A 6 -18.535 27.028 -3.289 1.00 2.22 C ATOM 89 O ARG A 6 -17.543 26.356 -3.594 1.00 2.22 O ATOM 90 CB ARG A 6 -18.527 28.639 -5.255 1.00 72.34 C ATOM 91 CG ARG A 6 -17.158 28.243 -5.811 1.00 61.32 C ATOM 92 CD ARG A 6 -17.050 28.528 -7.309 1.00 65.30 C ATOM 93 NE ARG A 6 -17.089 29.962 -7.599 1.00 72.01 N ATOM 94 CZ ARG A 6 -17.412 30.472 -8.757 1.00 11.20 C ATOM 95 NH1 ARG A 6 -17.780 29.711 -9.740 1.00 12.30 N ATOM 96 NH2 ARG A 6 -17.377 31.753 -8.924 1.00 44.01 N ATOM 0 H ARG A 6 -16.874 29.585 -3.591 1.00 30.35 H new ATOM 0 HA ARG A 6 -19.669 28.837 -3.448 1.00 41.12 H new ATOM 0 HB2 ARG A 6 -19.289 28.025 -5.735 1.00 72.34 H new ATOM 0 HB3 ARG A 6 -18.730 29.674 -5.531 1.00 72.34 H new ATOM 0 HG2 ARG A 6 -16.378 28.789 -5.280 1.00 61.32 H new ATOM 0 HG3 ARG A 6 -16.985 27.182 -5.629 1.00 61.32 H new ATOM 0 HD2 ARG A 6 -16.121 28.106 -7.692 1.00 65.30 H new ATOM 0 HD3 ARG A 6 -17.866 28.030 -7.832 1.00 65.30 H new ATOM 0 HE ARG A 6 -16.848 30.606 -6.846 1.00 72.01 H new ATOM 0 HH11 ARG A 6 -17.820 28.700 -9.615 1.00 12.30 H new ATOM 0 HH12 ARG A 6 -18.029 30.124 -10.639 1.00 12.30 H new ATOM 0 HH21 ARG A 6 -17.098 32.360 -8.153 1.00 44.01 H new ATOM 0 HH22 ARG A 6 -17.628 32.157 -9.826 1.00 44.01 H new ATOM 110 N LEU A 7 -19.530 26.540 -2.552 1.00 50.52 N ATOM 111 CA LEU A 7 -19.526 25.164 -2.042 1.00 51.42 C ATOM 112 C LEU A 7 -20.044 24.178 -3.102 1.00 43.15 C ATOM 113 O LEU A 7 -19.734 22.987 -3.062 1.00 75.32 O ATOM 114 CB LEU A 7 -20.379 25.072 -0.765 1.00 60.02 C ATOM 115 CG LEU A 7 -20.427 23.688 -0.092 1.00 24.44 C ATOM 116 CD1 LEU A 7 -19.030 23.245 0.342 1.00 2.11 C ATOM 117 CD2 LEU A 7 -21.386 23.701 1.096 1.00 32.41 C ATOM 0 H LEU A 7 -20.356 27.078 -2.291 1.00 50.52 H new ATOM 0 HA LEU A 7 -18.498 24.892 -1.804 1.00 51.42 H new ATOM 0 HB2 LEU A 7 -19.998 25.794 -0.043 1.00 60.02 H new ATOM 0 HB3 LEU A 7 -21.398 25.373 -1.008 1.00 60.02 H new ATOM 0 HG LEU A 7 -20.797 22.967 -0.821 1.00 24.44 H new ATOM 0 HD11 LEU A 7 -19.090 22.265 0.815 1.00 2.11 H new ATOM 0 HD12 LEU A 7 -18.379 23.188 -0.530 1.00 2.11 H new ATOM 0 HD13 LEU A 7 -18.624 23.966 1.052 1.00 2.11 H new ATOM 0 HD21 LEU A 7 -21.406 22.714 1.558 1.00 32.41 H new ATOM 0 HD22 LEU A 7 -21.050 24.437 1.826 1.00 32.41 H new ATOM 0 HD23 LEU A 7 -22.387 23.961 0.753 1.00 32.41 H new ATOM 129 N ILE A 8 -20.834 24.688 -4.046 1.00 64.23 N ATOM 130 CA ILE A 8 -21.362 23.874 -5.149 1.00 50.31 C ATOM 131 C ILE A 8 -20.253 23.057 -5.850 1.00 52.44 C ATOM 132 O ILE A 8 -19.266 23.611 -6.343 1.00 13.25 O ATOM 133 CB ILE A 8 -22.101 24.756 -6.195 1.00 23.14 C ATOM 134 CG1 ILE A 8 -22.579 23.902 -7.385 1.00 22.13 C ATOM 135 CG2 ILE A 8 -21.208 25.907 -6.667 1.00 3.25 C ATOM 136 CD1 ILE A 8 -23.332 24.689 -8.439 1.00 31.23 C ATOM 0 H ILE A 8 -21.126 25.665 -4.072 1.00 64.23 H new ATOM 0 HA ILE A 8 -22.072 23.175 -4.706 1.00 50.31 H new ATOM 0 HB ILE A 8 -22.979 25.190 -5.716 1.00 23.14 H new ATOM 0 HG12 ILE A 8 -21.715 23.426 -7.849 1.00 22.13 H new ATOM 0 HG13 ILE A 8 -23.221 23.104 -7.013 1.00 22.13 H new ATOM 0 HG21 ILE A 8 -21.747 26.510 -7.398 1.00 3.25 H new ATOM 0 HG22 ILE A 8 -20.935 26.529 -5.814 1.00 3.25 H new ATOM 0 HG23 ILE A 8 -20.305 25.503 -7.125 1.00 3.25 H new ATOM 0 HD11 ILE A 8 -23.636 24.020 -9.244 1.00 31.23 H new ATOM 0 HD12 ILE A 8 -24.216 25.143 -7.991 1.00 31.23 H new ATOM 0 HD13 ILE A 8 -22.686 25.470 -8.840 1.00 31.23 H new ATOM 148 N ARG A 9 -20.415 21.733 -5.864 1.00 44.44 N ATOM 149 CA ARG A 9 -19.440 20.828 -6.490 1.00 42.14 C ATOM 150 C ARG A 9 -20.043 19.432 -6.703 1.00 14.55 C ATOM 151 O ARG A 9 -20.836 18.959 -5.891 1.00 41.54 O ATOM 152 CB ARG A 9 -18.178 20.726 -5.623 1.00 34.02 C ATOM 153 CG ARG A 9 -18.440 20.240 -4.198 1.00 14.02 C ATOM 154 CD ARG A 9 -17.179 20.294 -3.342 1.00 4.12 C ATOM 155 NE ARG A 9 -16.577 21.630 -3.343 1.00 40.21 N ATOM 156 CZ ARG A 9 -15.722 22.056 -2.453 1.00 43.41 C ATOM 157 NH1 ARG A 9 -15.404 21.327 -1.436 1.00 52.23 N ATOM 158 NH2 ARG A 9 -15.204 23.234 -2.568 1.00 72.21 N ATOM 0 H ARG A 9 -21.216 21.258 -5.447 1.00 44.44 H new ATOM 0 HA ARG A 9 -19.173 21.239 -7.464 1.00 42.14 H new ATOM 0 HB2 ARG A 9 -17.473 20.047 -6.104 1.00 34.02 H new ATOM 0 HB3 ARG A 9 -17.699 21.704 -5.580 1.00 34.02 H new ATOM 0 HG2 ARG A 9 -19.216 20.854 -3.741 1.00 14.02 H new ATOM 0 HG3 ARG A 9 -18.817 19.218 -4.226 1.00 14.02 H new ATOM 0 HD2 ARG A 9 -17.421 20.005 -2.319 1.00 4.12 H new ATOM 0 HD3 ARG A 9 -16.455 19.569 -3.715 1.00 4.12 H new ATOM 0 HE ARG A 9 -16.844 22.271 -4.090 1.00 40.21 H new ATOM 0 HH11 ARG A 9 -15.822 20.404 -1.319 1.00 52.23 H new ATOM 0 HH12 ARG A 9 -14.734 21.674 -0.749 1.00 52.23 H new ATOM 0 HH21 ARG A 9 -15.463 23.831 -3.354 1.00 72.21 H new ATOM 0 HH22 ARG A 9 -14.536 23.567 -1.873 1.00 72.21 H new ATOM 172 N THR A 10 -19.669 18.778 -7.799 1.00 43.00 N ATOM 173 CA THR A 10 -20.178 17.436 -8.117 1.00 4.00 C ATOM 174 C THR A 10 -19.048 16.499 -8.561 1.00 70.23 C ATOM 175 O THR A 10 -17.951 16.946 -8.899 1.00 55.32 O ATOM 176 CB THR A 10 -21.254 17.483 -9.232 1.00 41.13 C ATOM 177 OG1 THR A 10 -20.728 18.135 -10.397 1.00 72.43 O ATOM 178 CG2 THR A 10 -22.508 18.214 -8.761 1.00 40.12 C ATOM 0 H THR A 10 -19.014 19.151 -8.486 1.00 43.00 H new ATOM 0 HA THR A 10 -20.627 17.052 -7.201 1.00 4.00 H new ATOM 0 HB THR A 10 -21.526 16.456 -9.478 1.00 41.13 H new ATOM 0 HG1 THR A 10 -21.414 18.158 -11.096 1.00 72.43 H new ATOM 0 HG21 THR A 10 -23.243 18.230 -9.565 1.00 40.12 H new ATOM 0 HG22 THR A 10 -22.927 17.698 -7.897 1.00 40.12 H new ATOM 0 HG23 THR A 10 -22.251 19.236 -8.484 1.00 40.12 H new ATOM 186 N ARG A 11 -19.322 15.197 -8.547 1.00 62.21 N ATOM 187 CA ARG A 11 -18.338 14.187 -8.959 1.00 34.12 C ATOM 188 C ARG A 11 -18.195 14.131 -10.491 1.00 64.13 C ATOM 189 O ARG A 11 -17.106 14.326 -11.034 1.00 14.54 O ATOM 190 CB ARG A 11 -18.745 12.809 -8.407 1.00 63.12 C ATOM 191 CG ARG A 11 -17.790 11.679 -8.784 1.00 73.43 C ATOM 192 CD ARG A 11 -18.233 10.341 -8.194 1.00 41.54 C ATOM 193 NE ARG A 11 -18.181 10.333 -6.730 1.00 72.14 N ATOM 194 CZ ARG A 11 -18.658 9.371 -5.984 1.00 31.30 C ATOM 195 NH1 ARG A 11 -19.284 8.369 -6.515 1.00 22.12 N ATOM 196 NH2 ARG A 11 -18.532 9.431 -4.700 1.00 0.44 N ATOM 0 H ARG A 11 -20.220 14.811 -8.254 1.00 62.21 H new ATOM 0 HA ARG A 11 -17.368 14.468 -8.549 1.00 34.12 H new ATOM 0 HB2 ARG A 11 -18.808 12.869 -7.321 1.00 63.12 H new ATOM 0 HB3 ARG A 11 -19.743 12.564 -8.771 1.00 63.12 H new ATOM 0 HG2 ARG A 11 -17.734 11.597 -9.869 1.00 73.43 H new ATOM 0 HG3 ARG A 11 -16.787 11.918 -8.431 1.00 73.43 H new ATOM 0 HD2 ARG A 11 -19.250 10.122 -8.520 1.00 41.54 H new ATOM 0 HD3 ARG A 11 -17.595 9.547 -8.582 1.00 41.54 H new ATOM 0 HE ARG A 11 -17.745 11.128 -6.263 1.00 72.14 H new ATOM 0 HH11 ARG A 11 -19.410 8.324 -7.526 1.00 22.12 H new ATOM 0 HH12 ARG A 11 -19.651 7.625 -5.922 1.00 22.12 H new ATOM 0 HH21 ARG A 11 -18.061 10.227 -4.270 1.00 0.44 H new ATOM 0 HH22 ARG A 11 -18.903 8.682 -4.116 1.00 0.44 H new ATOM 210 N GLY A 12 -19.305 13.856 -11.176 1.00 33.11 N ATOM 211 CA GLY A 12 -19.306 13.786 -12.635 1.00 14.21 C ATOM 212 C GLY A 12 -18.343 12.744 -13.197 1.00 4.24 C ATOM 213 O GLY A 12 -17.561 13.038 -14.103 1.00 4.54 O ATOM 0 H GLY A 12 -20.212 13.679 -10.744 1.00 33.11 H new ATOM 0 HA2 GLY A 12 -20.315 13.559 -12.979 1.00 14.21 H new ATOM 0 HA3 GLY A 12 -19.045 14.765 -13.038 1.00 14.21 H new ATOM 217 N GLY A 13 -18.406 11.522 -12.674 1.00 73.34 N ATOM 218 CA GLY A 13 -17.487 10.477 -13.111 1.00 71.42 C ATOM 219 C GLY A 13 -18.032 9.064 -12.918 1.00 31.55 C ATOM 220 O GLY A 13 -19.020 8.860 -12.208 1.00 24.51 O ATOM 0 H GLY A 13 -19.073 11.235 -11.958 1.00 73.34 H new ATOM 0 HA2 GLY A 13 -17.254 10.627 -14.165 1.00 71.42 H new ATOM 0 HA3 GLY A 13 -16.551 10.575 -12.561 1.00 71.42 H new ATOM 224 N ASN A 14 -17.377 8.086 -13.542 1.00 11.25 N ATOM 225 CA ASN A 14 -17.816 6.685 -13.475 1.00 34.12 C ATOM 226 C ASN A 14 -16.622 5.733 -13.655 1.00 22.22 C ATOM 227 O ASN A 14 -15.956 5.751 -14.690 1.00 12.45 O ATOM 228 CB ASN A 14 -18.881 6.424 -14.552 1.00 64.44 C ATOM 229 CG ASN A 14 -19.536 5.059 -14.423 1.00 2.15 C ATOM 230 OD1 ASN A 14 -19.085 4.081 -15.010 1.00 11.03 O ATOM 231 ND2 ASN A 14 -20.605 4.978 -13.658 1.00 42.40 N ATOM 0 H ASN A 14 -16.538 8.235 -14.102 1.00 11.25 H new ATOM 0 HA ASN A 14 -18.251 6.498 -12.493 1.00 34.12 H new ATOM 0 HB2 ASN A 14 -19.648 7.196 -14.491 1.00 64.44 H new ATOM 0 HB3 ASN A 14 -18.422 6.509 -15.537 1.00 64.44 H new ATOM 0 HD21 ASN A 14 -21.082 4.084 -13.541 1.00 42.40 H new ATOM 0 HD22 ASN A 14 -20.956 5.809 -13.183 1.00 42.40 H new ATOM 238 N THR A 15 -16.355 4.901 -12.645 1.00 52.13 N ATOM 239 CA THR A 15 -15.181 4.010 -12.661 1.00 60.51 C ATOM 240 C THR A 15 -15.396 2.783 -13.561 1.00 52.53 C ATOM 241 O THR A 15 -16.531 2.390 -13.836 1.00 23.43 O ATOM 242 CB THR A 15 -14.808 3.521 -11.236 1.00 3.14 C ATOM 243 OG1 THR A 15 -13.630 2.699 -11.287 1.00 14.24 O ATOM 244 CG2 THR A 15 -15.948 2.730 -10.603 1.00 72.05 C ATOM 0 H THR A 15 -16.931 4.822 -11.807 1.00 52.13 H new ATOM 0 HA THR A 15 -14.364 4.608 -13.064 1.00 60.51 H new ATOM 0 HB THR A 15 -14.617 4.402 -10.624 1.00 3.14 H new ATOM 0 HG1 THR A 15 -13.402 2.397 -10.383 1.00 14.24 H new ATOM 0 HG21 THR A 15 -15.654 2.402 -9.606 1.00 72.05 H new ATOM 0 HG22 THR A 15 -16.833 3.362 -10.531 1.00 72.05 H new ATOM 0 HG23 THR A 15 -16.173 1.860 -11.219 1.00 72.05 H new ATOM 252 N LYS A 16 -14.299 2.179 -14.017 1.00 52.41 N ATOM 253 CA LYS A 16 -14.369 1.000 -14.892 1.00 11.23 C ATOM 254 C LYS A 16 -14.038 -0.300 -14.132 1.00 43.14 C ATOM 255 O LYS A 16 -13.795 -0.283 -12.923 1.00 74.30 O ATOM 256 CB LYS A 16 -13.447 1.191 -16.109 1.00 61.44 C ATOM 257 CG LYS A 16 -13.918 2.312 -17.041 1.00 73.45 C ATOM 258 CD LYS A 16 -13.013 2.509 -18.260 1.00 23.41 C ATOM 259 CE LYS A 16 -11.786 3.367 -17.955 1.00 44.33 C ATOM 260 NZ LYS A 16 -10.817 2.694 -17.049 1.00 32.12 N ATOM 0 H LYS A 16 -13.350 2.483 -13.798 1.00 52.41 H new ATOM 0 HA LYS A 16 -15.395 0.901 -15.246 1.00 11.23 H new ATOM 0 HB2 LYS A 16 -12.437 1.413 -15.763 1.00 61.44 H new ATOM 0 HB3 LYS A 16 -13.394 0.257 -16.669 1.00 61.44 H new ATOM 0 HG2 LYS A 16 -14.930 2.091 -17.381 1.00 73.45 H new ATOM 0 HG3 LYS A 16 -13.967 3.245 -16.479 1.00 73.45 H new ATOM 0 HD2 LYS A 16 -12.688 1.535 -18.626 1.00 23.41 H new ATOM 0 HD3 LYS A 16 -13.587 2.975 -19.061 1.00 23.41 H new ATOM 0 HE2 LYS A 16 -11.285 3.621 -18.889 1.00 44.33 H new ATOM 0 HE3 LYS A 16 -12.108 4.304 -17.501 1.00 44.33 H new ATOM 0 HZ1 LYS A 16 -9.853 3.014 -17.272 1.00 32.12 H new ATOM 0 HZ2 LYS A 16 -11.041 2.933 -16.062 1.00 32.12 H new ATOM 0 HZ3 LYS A 16 -10.879 1.664 -17.178 1.00 32.12 H new ATOM 274 N VAL A 17 -14.041 -1.425 -14.853 1.00 12.24 N ATOM 275 CA VAL A 17 -13.933 -2.760 -14.241 1.00 3.25 C ATOM 276 C VAL A 17 -12.596 -3.005 -13.490 1.00 2.25 C ATOM 277 O VAL A 17 -11.636 -3.564 -14.034 1.00 44.15 O ATOM 278 CB VAL A 17 -14.179 -3.879 -15.296 1.00 50.12 C ATOM 279 CG1 VAL A 17 -13.220 -3.748 -16.481 1.00 63.04 C ATOM 280 CG2 VAL A 17 -14.087 -5.269 -14.659 1.00 41.50 C ATOM 0 H VAL A 17 -14.118 -1.441 -15.870 1.00 12.24 H new ATOM 0 HA VAL A 17 -14.716 -2.798 -13.483 1.00 3.25 H new ATOM 0 HB VAL A 17 -15.192 -3.755 -15.678 1.00 50.12 H new ATOM 0 HG11 VAL A 17 -13.418 -4.544 -17.199 1.00 63.04 H new ATOM 0 HG12 VAL A 17 -13.366 -2.781 -16.962 1.00 63.04 H new ATOM 0 HG13 VAL A 17 -12.192 -3.826 -16.127 1.00 63.04 H new ATOM 0 HG21 VAL A 17 -14.263 -6.030 -15.419 1.00 41.50 H new ATOM 0 HG22 VAL A 17 -13.095 -5.408 -14.230 1.00 41.50 H new ATOM 0 HG23 VAL A 17 -14.838 -5.360 -13.874 1.00 41.50 H new ATOM 290 N ARG A 18 -12.554 -2.548 -12.236 1.00 3.20 N ATOM 291 CA ARG A 18 -11.463 -2.856 -11.294 1.00 72.30 C ATOM 292 C ARG A 18 -10.055 -2.490 -11.804 1.00 1.44 C ATOM 293 O ARG A 18 -9.876 -1.849 -12.844 1.00 5.22 O ATOM 294 CB ARG A 18 -11.487 -4.346 -10.910 1.00 74.12 C ATOM 295 CG ARG A 18 -12.649 -4.746 -10.008 1.00 5.51 C ATOM 296 CD ARG A 18 -12.503 -6.183 -9.521 1.00 33.31 C ATOM 297 NE ARG A 18 -13.520 -6.544 -8.535 1.00 41.11 N ATOM 298 CZ ARG A 18 -13.725 -7.758 -8.109 1.00 75.14 C ATOM 299 NH1 ARG A 18 -13.086 -8.756 -8.631 1.00 1.12 N ATOM 300 NH2 ARG A 18 -14.586 -7.978 -7.169 1.00 60.24 N ATOM 0 H ARG A 18 -13.278 -1.950 -11.838 1.00 3.20 H new ATOM 0 HA ARG A 18 -11.653 -2.226 -10.425 1.00 72.30 H new ATOM 0 HB2 ARG A 18 -11.528 -4.943 -11.821 1.00 74.12 H new ATOM 0 HB3 ARG A 18 -10.552 -4.594 -10.409 1.00 74.12 H new ATOM 0 HG2 ARG A 18 -12.696 -4.073 -9.152 1.00 5.51 H new ATOM 0 HG3 ARG A 18 -13.588 -4.637 -10.551 1.00 5.51 H new ATOM 0 HD2 ARG A 18 -12.570 -6.861 -10.372 1.00 33.31 H new ATOM 0 HD3 ARG A 18 -11.514 -6.317 -9.084 1.00 33.31 H new ATOM 0 HE ARG A 18 -14.105 -5.799 -8.157 1.00 41.11 H new ATOM 0 HH11 ARG A 18 -12.415 -8.595 -9.382 1.00 1.12 H new ATOM 0 HH12 ARG A 18 -13.253 -9.703 -8.291 1.00 1.12 H new ATOM 0 HH21 ARG A 18 -15.105 -7.201 -6.761 1.00 60.24 H new ATOM 0 HH22 ARG A 18 -14.746 -8.929 -6.836 1.00 60.24 H new ATOM 314 N LEU A 19 -9.060 -2.906 -11.022 1.00 21.44 N ATOM 315 CA LEU A 19 -7.649 -2.761 -11.377 1.00 5.41 C ATOM 316 C LEU A 19 -7.230 -3.837 -12.393 1.00 52.11 C ATOM 317 O LEU A 19 -7.457 -5.031 -12.183 1.00 54.24 O ATOM 318 CB LEU A 19 -6.796 -2.843 -10.090 1.00 71.41 C ATOM 319 CG LEU A 19 -5.257 -2.808 -10.259 1.00 21.32 C ATOM 320 CD1 LEU A 19 -4.588 -2.305 -8.980 1.00 30.43 C ATOM 321 CD2 LEU A 19 -4.706 -4.192 -10.616 1.00 70.32 C ATOM 0 H LEU A 19 -9.211 -3.356 -10.119 1.00 21.44 H new ATOM 0 HA LEU A 19 -7.489 -1.792 -11.849 1.00 5.41 H new ATOM 0 HB2 LEU A 19 -7.084 -2.016 -9.441 1.00 71.41 H new ATOM 0 HB3 LEU A 19 -7.058 -3.764 -9.569 1.00 71.41 H new ATOM 0 HG LEU A 19 -5.032 -2.123 -11.077 1.00 21.32 H new ATOM 0 HD11 LEU A 19 -3.507 -2.287 -9.118 1.00 30.43 H new ATOM 0 HD12 LEU A 19 -4.942 -1.299 -8.756 1.00 30.43 H new ATOM 0 HD13 LEU A 19 -4.838 -2.970 -8.153 1.00 30.43 H new ATOM 0 HD21 LEU A 19 -3.623 -4.135 -10.728 1.00 70.32 H new ATOM 0 HD22 LEU A 19 -4.952 -4.897 -9.822 1.00 70.32 H new ATOM 0 HD23 LEU A 19 -5.150 -4.530 -11.552 1.00 70.32 H new ATOM 333 N ALA A 20 -6.623 -3.401 -13.490 1.00 61.43 N ATOM 334 CA ALA A 20 -6.104 -4.312 -14.513 1.00 14.11 C ATOM 335 C ALA A 20 -4.976 -3.640 -15.308 1.00 1.10 C ATOM 336 O ALA A 20 -3.794 -3.919 -15.089 1.00 13.35 O ATOM 337 CB ALA A 20 -7.225 -4.771 -15.440 1.00 32.22 C ATOM 0 H ALA A 20 -6.475 -2.414 -13.699 1.00 61.43 H new ATOM 0 HA ALA A 20 -5.693 -5.192 -14.018 1.00 14.11 H new ATOM 0 HB1 ALA A 20 -6.820 -5.447 -16.193 1.00 32.22 H new ATOM 0 HB2 ALA A 20 -7.988 -5.290 -14.859 1.00 32.22 H new ATOM 0 HB3 ALA A 20 -7.669 -3.905 -15.931 1.00 32.22 H new ATOM 343 N SER A 21 -5.341 -2.746 -16.224 1.00 64.23 N ATOM 344 CA SER A 21 -4.353 -1.924 -16.938 1.00 11.42 C ATOM 345 C SER A 21 -3.980 -0.694 -16.105 1.00 3.20 C ATOM 346 O SER A 21 -2.859 -0.183 -16.181 1.00 31.04 O ATOM 347 CB SER A 21 -4.897 -1.491 -18.305 1.00 44.43 C ATOM 348 OG SER A 21 -5.156 -2.619 -19.131 1.00 64.41 O ATOM 0 H SER A 21 -6.309 -2.569 -16.492 1.00 64.23 H new ATOM 0 HA SER A 21 -3.458 -2.526 -17.096 1.00 11.42 H new ATOM 0 HB2 SER A 21 -5.813 -0.916 -18.170 1.00 44.43 H new ATOM 0 HB3 SER A 21 -4.178 -0.834 -18.795 1.00 44.43 H new ATOM 0 HG SER A 21 -5.504 -2.318 -19.996 1.00 64.41 H new ATOM 354 N ASP A 22 -4.937 -0.222 -15.310 1.00 23.14 N ATOM 355 CA ASP A 22 -4.710 0.879 -14.374 1.00 11.51 C ATOM 356 C ASP A 22 -4.285 0.315 -13.003 1.00 74.44 C ATOM 357 O ASP A 22 -5.127 -0.039 -12.177 1.00 20.03 O ATOM 358 CB ASP A 22 -5.993 1.722 -14.254 1.00 12.30 C ATOM 359 CG ASP A 22 -5.759 3.077 -13.612 1.00 75.04 C ATOM 360 OD1 ASP A 22 -5.344 4.011 -14.329 1.00 61.05 O ATOM 361 OD2 ASP A 22 -6.004 3.226 -12.401 1.00 73.34 O ATOM 0 H ASP A 22 -5.888 -0.589 -15.295 1.00 23.14 H new ATOM 0 HA ASP A 22 -3.909 1.521 -14.742 1.00 11.51 H new ATOM 0 HB2 ASP A 22 -6.420 1.866 -15.247 1.00 12.30 H new ATOM 0 HB3 ASP A 22 -6.729 1.171 -13.668 1.00 12.30 H new ATOM 366 N THR A 23 -2.972 0.185 -12.786 1.00 11.24 N ATOM 367 CA THR A 23 -2.450 -0.435 -11.558 1.00 73.34 C ATOM 368 C THR A 23 -2.058 0.619 -10.513 1.00 3.25 C ATOM 369 O THR A 23 -1.101 1.374 -10.700 1.00 72.30 O ATOM 370 CB THR A 23 -1.219 -1.335 -11.851 1.00 34.10 C ATOM 371 OG1 THR A 23 -1.576 -2.388 -12.763 1.00 30.22 O ATOM 372 CG2 THR A 23 -0.665 -1.948 -10.566 1.00 1.54 C ATOM 0 H THR A 23 -2.253 0.498 -13.439 1.00 11.24 H new ATOM 0 HA THR A 23 -3.257 -1.050 -11.159 1.00 73.34 H new ATOM 0 HB THR A 23 -0.450 -0.707 -12.300 1.00 34.10 H new ATOM 0 HG1 THR A 23 -0.791 -2.947 -12.941 1.00 30.22 H new ATOM 0 HG21 THR A 23 0.196 -2.573 -10.803 1.00 1.54 H new ATOM 0 HG22 THR A 23 -0.360 -1.153 -9.886 1.00 1.54 H new ATOM 0 HG23 THR A 23 -1.435 -2.556 -10.092 1.00 1.54 H new ATOM 380 N ARG A 24 -2.785 0.642 -9.397 1.00 44.02 N ATOM 381 CA ARG A 24 -2.529 1.612 -8.326 1.00 53.52 C ATOM 382 C ARG A 24 -3.277 1.219 -7.036 1.00 53.12 C ATOM 383 O ARG A 24 -4.291 0.522 -7.084 1.00 44.25 O ATOM 384 CB ARG A 24 -2.934 3.024 -8.795 1.00 34.55 C ATOM 385 CG ARG A 24 -1.827 4.070 -8.660 1.00 75.55 C ATOM 386 CD ARG A 24 -2.149 5.339 -9.446 1.00 30.32 C ATOM 387 NE ARG A 24 -2.140 5.092 -10.888 1.00 43.23 N ATOM 388 CZ ARG A 24 -3.205 4.882 -11.614 1.00 73.41 C ATOM 389 NH1 ARG A 24 -4.388 4.950 -11.095 1.00 3.22 N ATOM 390 NH2 ARG A 24 -3.081 4.628 -12.873 1.00 22.40 N ATOM 0 H ARG A 24 -3.556 0.002 -9.208 1.00 44.02 H new ATOM 0 HA ARG A 24 -1.463 1.612 -8.098 1.00 53.52 H new ATOM 0 HB2 ARG A 24 -3.245 2.973 -9.838 1.00 34.55 H new ATOM 0 HB3 ARG A 24 -3.800 3.351 -8.220 1.00 34.55 H new ATOM 0 HG2 ARG A 24 -1.688 4.319 -7.608 1.00 75.55 H new ATOM 0 HG3 ARG A 24 -0.885 3.651 -9.015 1.00 75.55 H new ATOM 0 HD2 ARG A 24 -3.127 5.716 -9.146 1.00 30.32 H new ATOM 0 HD3 ARG A 24 -1.421 6.113 -9.204 1.00 30.32 H new ATOM 0 HE ARG A 24 -1.236 5.083 -11.361 1.00 43.23 H new ATOM 0 HH11 ARG A 24 -4.499 5.170 -10.105 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -5.210 4.783 -11.676 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -2.154 4.592 -13.297 1.00 22.40 H new ATOM 0 HH22 ARG A 24 -3.910 4.463 -13.444 1.00 22.40 H new ATOM 404 N ILE A 25 -2.778 1.675 -5.887 1.00 50.51 N ATOM 405 CA ILE A 25 -3.338 1.287 -4.581 1.00 62.32 C ATOM 406 C ILE A 25 -3.533 2.499 -3.651 1.00 52.24 C ATOM 407 O ILE A 25 -2.723 3.428 -3.645 1.00 21.33 O ATOM 408 CB ILE A 25 -2.417 0.246 -3.882 1.00 65.55 C ATOM 409 CG1 ILE A 25 -2.942 -0.110 -2.478 1.00 72.12 C ATOM 410 CG2 ILE A 25 -0.980 0.762 -3.806 1.00 63.54 C ATOM 411 CD1 ILE A 25 -2.119 -1.159 -1.759 1.00 73.22 C ATOM 0 H ILE A 25 -1.986 2.315 -5.828 1.00 50.51 H new ATOM 0 HA ILE A 25 -4.316 0.846 -4.774 1.00 62.32 H new ATOM 0 HB ILE A 25 -2.426 -0.664 -4.482 1.00 65.55 H new ATOM 0 HG12 ILE A 25 -2.968 0.795 -1.871 1.00 72.12 H new ATOM 0 HG13 ILE A 25 -3.969 -0.465 -2.565 1.00 72.12 H new ATOM 0 HG21 ILE A 25 -0.352 0.019 -3.314 1.00 63.54 H new ATOM 0 HG22 ILE A 25 -0.605 0.944 -4.813 1.00 63.54 H new ATOM 0 HG23 ILE A 25 -0.957 1.691 -3.237 1.00 63.54 H new ATOM 0 HD11 ILE A 25 -2.554 -1.353 -0.779 1.00 73.22 H new ATOM 0 HD12 ILE A 25 -2.113 -2.080 -2.342 1.00 73.22 H new ATOM 0 HD13 ILE A 25 -1.097 -0.800 -1.638 1.00 73.22 H new ATOM 423 N ASN A 26 -4.618 2.484 -2.872 1.00 33.35 N ATOM 424 CA ASN A 26 -4.868 3.522 -1.863 1.00 51.11 C ATOM 425 C ASN A 26 -3.986 3.300 -0.630 1.00 2.03 C ATOM 426 O ASN A 26 -4.250 2.421 0.190 1.00 12.55 O ATOM 427 CB ASN A 26 -6.346 3.528 -1.448 1.00 52.42 C ATOM 428 CG ASN A 26 -7.264 4.135 -2.496 1.00 74.32 C ATOM 429 OD1 ASN A 26 -8.303 4.694 -2.168 1.00 54.41 O ATOM 430 ND2 ASN A 26 -6.905 4.031 -3.760 1.00 15.34 N ATOM 0 H ASN A 26 -5.339 1.764 -2.919 1.00 33.35 H new ATOM 0 HA ASN A 26 -4.621 4.487 -2.305 1.00 51.11 H new ATOM 0 HB2 ASN A 26 -6.663 2.505 -1.246 1.00 52.42 H new ATOM 0 HB3 ASN A 26 -6.452 4.084 -0.517 1.00 52.42 H new ATOM 0 HD21 ASN A 26 -7.498 4.421 -4.492 1.00 15.34 H new ATOM 0 HD22 ASN A 26 -6.034 3.560 -4.006 1.00 15.34 H new ATOM 437 N VAL A 27 -2.936 4.100 -0.512 1.00 62.03 N ATOM 438 CA VAL A 27 -1.967 3.964 0.574 1.00 31.14 C ATOM 439 C VAL A 27 -2.151 5.058 1.635 1.00 21.35 C ATOM 440 O VAL A 27 -2.140 6.252 1.329 1.00 71.55 O ATOM 441 CB VAL A 27 -0.522 4.023 0.025 1.00 24.54 C ATOM 442 CG1 VAL A 27 0.495 3.792 1.136 1.00 53.10 C ATOM 443 CG2 VAL A 27 -0.332 3.011 -1.103 1.00 23.33 C ATOM 0 H VAL A 27 -2.729 4.859 -1.161 1.00 62.03 H new ATOM 0 HA VAL A 27 -2.141 2.995 1.041 1.00 31.14 H new ATOM 0 HB VAL A 27 -0.355 5.021 -0.380 1.00 24.54 H new ATOM 0 HG11 VAL A 27 1.502 3.839 0.723 1.00 53.10 H new ATOM 0 HG12 VAL A 27 0.380 4.561 1.900 1.00 53.10 H new ATOM 0 HG13 VAL A 27 0.331 2.811 1.581 1.00 53.10 H new ATOM 0 HG21 VAL A 27 0.691 3.069 -1.475 1.00 23.33 H new ATOM 0 HG22 VAL A 27 -0.525 2.006 -0.727 1.00 23.33 H new ATOM 0 HG23 VAL A 27 -1.026 3.235 -1.913 1.00 23.33 H new ATOM 453 N VAL A 28 -2.318 4.640 2.886 1.00 25.23 N ATOM 454 CA VAL A 28 -2.456 5.576 4.002 1.00 75.22 C ATOM 455 C VAL A 28 -1.104 5.807 4.689 1.00 35.00 C ATOM 456 O VAL A 28 -0.488 4.872 5.206 1.00 64.32 O ATOM 457 CB VAL A 28 -3.480 5.062 5.049 1.00 44.44 C ATOM 458 CG1 VAL A 28 -3.649 6.070 6.189 1.00 65.13 C ATOM 459 CG2 VAL A 28 -4.824 4.759 4.383 1.00 23.32 C ATOM 0 H VAL A 28 -2.361 3.657 3.155 1.00 25.23 H new ATOM 0 HA VAL A 28 -2.819 6.517 3.589 1.00 75.22 H new ATOM 0 HB VAL A 28 -3.095 4.136 5.476 1.00 44.44 H new ATOM 0 HG11 VAL A 28 -4.372 5.687 6.909 1.00 65.13 H new ATOM 0 HG12 VAL A 28 -2.690 6.224 6.684 1.00 65.13 H new ATOM 0 HG13 VAL A 28 -4.006 7.018 5.787 1.00 65.13 H new ATOM 0 HG21 VAL A 28 -5.529 4.400 5.133 1.00 23.32 H new ATOM 0 HG22 VAL A 28 -5.215 5.667 3.923 1.00 23.32 H new ATOM 0 HG23 VAL A 28 -4.687 3.994 3.618 1.00 23.32 H new ATOM 469 N ASP A 29 -0.641 7.052 4.673 1.00 14.31 N ATOM 470 CA ASP A 29 0.604 7.428 5.345 1.00 51.10 C ATOM 471 C ASP A 29 0.376 7.504 6.868 1.00 31.24 C ATOM 472 O ASP A 29 -0.348 8.376 7.346 1.00 2.25 O ATOM 473 CB ASP A 29 1.083 8.785 4.806 1.00 22.35 C ATOM 474 CG ASP A 29 2.506 9.141 5.217 1.00 12.24 C ATOM 475 OD1 ASP A 29 2.828 9.054 6.417 1.00 31.25 O ATOM 476 OD2 ASP A 29 3.296 9.545 4.338 1.00 31.24 O ATOM 0 H ASP A 29 -1.110 7.824 4.200 1.00 14.31 H new ATOM 0 HA ASP A 29 1.368 6.676 5.147 1.00 51.10 H new ATOM 0 HB2 ASP A 29 1.020 8.776 3.718 1.00 22.35 H new ATOM 0 HB3 ASP A 29 0.407 9.564 5.158 1.00 22.35 H new ATOM 481 N PRO A 30 0.987 6.598 7.651 1.00 53.21 N ATOM 482 CA PRO A 30 0.796 6.561 9.108 1.00 63.11 C ATOM 483 C PRO A 30 1.601 7.648 9.844 1.00 42.44 C ATOM 484 O PRO A 30 1.348 7.941 11.016 1.00 32.41 O ATOM 485 CB PRO A 30 1.303 5.159 9.477 1.00 53.41 C ATOM 486 CG PRO A 30 2.364 4.877 8.468 1.00 4.22 C ATOM 487 CD PRO A 30 1.914 5.544 7.190 1.00 40.42 C ATOM 0 HA PRO A 30 -0.238 6.752 9.395 1.00 63.11 H new ATOM 0 HB2 PRO A 30 1.701 5.134 10.491 1.00 53.41 H new ATOM 0 HB3 PRO A 30 0.502 4.421 9.430 1.00 53.41 H new ATOM 0 HG2 PRO A 30 3.327 5.270 8.795 1.00 4.22 H new ATOM 0 HG3 PRO A 30 2.490 3.804 8.324 1.00 4.22 H new ATOM 0 HD2 PRO A 30 2.756 5.964 6.640 1.00 40.42 H new ATOM 0 HD3 PRO A 30 1.418 4.838 6.523 1.00 40.42 H new ATOM 495 N GLU A 31 2.562 8.255 9.147 1.00 10.40 N ATOM 496 CA GLU A 31 3.443 9.259 9.750 1.00 2.45 C ATOM 497 C GLU A 31 2.832 10.669 9.652 1.00 51.32 C ATOM 498 O GLU A 31 2.884 11.446 10.606 1.00 33.21 O ATOM 499 CB GLU A 31 4.816 9.230 9.061 1.00 31.21 C ATOM 500 CG GLU A 31 5.408 7.826 8.912 1.00 74.44 C ATOM 501 CD GLU A 31 5.597 7.104 10.240 1.00 24.32 C ATOM 502 OE1 GLU A 31 6.665 7.268 10.866 1.00 30.41 O ATOM 503 OE2 GLU A 31 4.691 6.352 10.656 1.00 62.23 O ATOM 0 H GLU A 31 2.751 8.069 8.162 1.00 10.40 H new ATOM 0 HA GLU A 31 3.562 9.017 10.806 1.00 2.45 H new ATOM 0 HB2 GLU A 31 4.725 9.682 8.073 1.00 31.21 H new ATOM 0 HB3 GLU A 31 5.510 9.847 9.631 1.00 31.21 H new ATOM 0 HG2 GLU A 31 4.756 7.231 8.273 1.00 74.44 H new ATOM 0 HG3 GLU A 31 6.371 7.898 8.406 1.00 74.44 H new ATOM 510 N THR A 32 2.263 10.995 8.488 1.00 22.45 N ATOM 511 CA THR A 32 1.629 12.310 8.270 1.00 22.10 C ATOM 512 C THR A 32 0.097 12.217 8.231 1.00 31.14 C ATOM 513 O THR A 32 -0.599 13.233 8.319 1.00 60.11 O ATOM 514 CB THR A 32 2.107 12.970 6.956 1.00 44.32 C ATOM 515 OG1 THR A 32 1.560 12.290 5.816 1.00 73.32 O ATOM 516 CG2 THR A 32 3.630 12.969 6.866 1.00 52.24 C ATOM 0 H THR A 32 2.225 10.372 7.681 1.00 22.45 H new ATOM 0 HA THR A 32 1.932 12.922 9.119 1.00 22.10 H new ATOM 0 HB THR A 32 1.754 14.001 6.960 1.00 44.32 H new ATOM 0 HG1 THR A 32 1.334 11.369 6.062 1.00 73.32 H new ATOM 0 HG21 THR A 32 3.940 13.439 5.932 1.00 52.24 H new ATOM 0 HG22 THR A 32 4.045 13.525 7.707 1.00 52.24 H new ATOM 0 HG23 THR A 32 3.995 11.942 6.894 1.00 52.24 H new ATOM 524 N GLY A 33 -0.428 11.005 8.076 1.00 41.03 N ATOM 525 CA GLY A 33 -1.872 10.796 8.086 1.00 12.11 C ATOM 526 C GLY A 33 -2.563 11.145 6.766 1.00 71.14 C ATOM 527 O GLY A 33 -3.783 11.334 6.732 1.00 12.01 O ATOM 0 H GLY A 33 0.122 10.156 7.943 1.00 41.03 H new ATOM 0 HA2 GLY A 33 -2.076 9.752 8.325 1.00 12.11 H new ATOM 0 HA3 GLY A 33 -2.310 11.397 8.883 1.00 12.11 H new ATOM 531 N LYS A 34 -1.801 11.226 5.675 1.00 61.33 N ATOM 532 CA LYS A 34 -2.377 11.550 4.358 1.00 45.24 C ATOM 533 C LYS A 34 -2.758 10.286 3.571 1.00 5.55 C ATOM 534 O LYS A 34 -2.262 9.195 3.845 1.00 74.31 O ATOM 535 CB LYS A 34 -1.399 12.390 3.522 1.00 64.13 C ATOM 536 CG LYS A 34 -0.088 11.681 3.188 1.00 42.31 C ATOM 537 CD LYS A 34 0.742 12.474 2.182 1.00 44.15 C ATOM 538 CE LYS A 34 2.136 11.881 1.992 1.00 71.01 C ATOM 539 NZ LYS A 34 2.945 11.934 3.241 1.00 43.32 N ATOM 0 H LYS A 34 -0.792 11.074 5.670 1.00 61.33 H new ATOM 0 HA LYS A 34 -3.283 12.126 4.547 1.00 45.24 H new ATOM 0 HB2 LYS A 34 -1.889 12.679 2.592 1.00 64.13 H new ATOM 0 HB3 LYS A 34 -1.174 13.309 4.063 1.00 64.13 H new ATOM 0 HG2 LYS A 34 0.489 11.534 4.101 1.00 42.31 H new ATOM 0 HG3 LYS A 34 -0.302 10.692 2.784 1.00 42.31 H new ATOM 0 HD2 LYS A 34 0.224 12.496 1.223 1.00 44.15 H new ATOM 0 HD3 LYS A 34 0.831 13.506 2.520 1.00 44.15 H new ATOM 0 HE2 LYS A 34 2.047 10.846 1.663 1.00 71.01 H new ATOM 0 HE3 LYS A 34 2.655 12.423 1.202 1.00 71.01 H new ATOM 0 HZ1 LYS A 34 3.749 12.580 3.107 1.00 43.32 H new ATOM 0 HZ2 LYS A 34 2.353 12.277 4.024 1.00 43.32 H new ATOM 0 HZ3 LYS A 34 3.299 10.982 3.466 1.00 43.32 H new ATOM 553 N VAL A 35 -3.645 10.444 2.590 1.00 23.23 N ATOM 554 CA VAL A 35 -4.026 9.342 1.700 1.00 42.41 C ATOM 555 C VAL A 35 -3.420 9.538 0.302 1.00 55.12 C ATOM 556 O VAL A 35 -3.826 10.435 -0.441 1.00 33.50 O ATOM 557 CB VAL A 35 -5.566 9.222 1.573 1.00 62.53 C ATOM 558 CG1 VAL A 35 -5.946 8.033 0.692 1.00 54.25 C ATOM 559 CG2 VAL A 35 -6.218 9.106 2.950 1.00 72.20 C ATOM 0 H VAL A 35 -4.116 11.326 2.389 1.00 23.23 H new ATOM 0 HA VAL A 35 -3.637 8.424 2.141 1.00 42.41 H new ATOM 0 HB VAL A 35 -5.938 10.130 1.098 1.00 62.53 H new ATOM 0 HG11 VAL A 35 -7.031 7.968 0.617 1.00 54.25 H new ATOM 0 HG12 VAL A 35 -5.521 8.167 -0.303 1.00 54.25 H new ATOM 0 HG13 VAL A 35 -5.557 7.115 1.132 1.00 54.25 H new ATOM 0 HG21 VAL A 35 -7.299 9.023 2.835 1.00 72.20 H new ATOM 0 HG22 VAL A 35 -5.838 8.220 3.459 1.00 72.20 H new ATOM 0 HG23 VAL A 35 -5.983 9.992 3.540 1.00 72.20 H new ATOM 569 N GLU A 36 -2.440 8.709 -0.042 1.00 24.34 N ATOM 570 CA GLU A 36 -1.774 8.778 -1.349 1.00 60.01 C ATOM 571 C GLU A 36 -2.001 7.488 -2.152 1.00 61.31 C ATOM 572 O GLU A 36 -2.002 6.395 -1.594 1.00 74.12 O ATOM 573 CB GLU A 36 -0.266 9.023 -1.160 1.00 11.42 C ATOM 574 CG GLU A 36 0.540 9.015 -2.459 1.00 61.41 C ATOM 575 CD GLU A 36 0.191 10.161 -3.397 1.00 43.44 C ATOM 576 OE1 GLU A 36 -0.880 10.108 -4.038 1.00 42.14 O ATOM 577 OE2 GLU A 36 0.995 11.110 -3.510 1.00 53.40 O ATOM 0 H GLU A 36 -2.083 7.974 0.568 1.00 24.34 H new ATOM 0 HA GLU A 36 -2.206 9.608 -1.908 1.00 60.01 H new ATOM 0 HB2 GLU A 36 -0.125 9.984 -0.665 1.00 11.42 H new ATOM 0 HB3 GLU A 36 0.134 8.259 -0.493 1.00 11.42 H new ATOM 0 HG2 GLU A 36 1.602 9.063 -2.219 1.00 61.41 H new ATOM 0 HG3 GLU A 36 0.373 8.070 -2.975 1.00 61.41 H new ATOM 584 N ILE A 37 -2.195 7.616 -3.461 1.00 54.42 N ATOM 585 CA ILE A 37 -2.425 6.451 -4.322 1.00 44.22 C ATOM 586 C ILE A 37 -1.133 6.052 -5.062 1.00 4.55 C ATOM 587 O ILE A 37 -0.710 6.724 -6.007 1.00 1.31 O ATOM 588 CB ILE A 37 -3.564 6.723 -5.340 1.00 4.53 C ATOM 589 CG1 ILE A 37 -4.812 7.256 -4.611 1.00 12.11 C ATOM 590 CG2 ILE A 37 -3.903 5.456 -6.121 1.00 33.11 C ATOM 591 CD1 ILE A 37 -5.975 7.572 -5.531 1.00 53.21 C ATOM 0 H ILE A 37 -2.198 8.510 -3.952 1.00 54.42 H new ATOM 0 HA ILE A 37 -2.729 5.623 -3.682 1.00 44.22 H new ATOM 0 HB ILE A 37 -3.222 7.478 -6.048 1.00 4.53 H new ATOM 0 HG12 ILE A 37 -5.134 6.518 -3.876 1.00 12.11 H new ATOM 0 HG13 ILE A 37 -4.542 8.157 -4.061 1.00 12.11 H new ATOM 0 HG21 ILE A 37 -4.704 5.668 -6.829 1.00 33.11 H new ATOM 0 HG22 ILE A 37 -3.021 5.115 -6.663 1.00 33.11 H new ATOM 0 HG23 ILE A 37 -4.227 4.678 -5.430 1.00 33.11 H new ATOM 0 HD11 ILE A 37 -6.815 7.942 -4.942 1.00 53.21 H new ATOM 0 HD12 ILE A 37 -5.673 8.333 -6.251 1.00 53.21 H new ATOM 0 HD13 ILE A 37 -6.274 6.669 -6.062 1.00 53.21 H new ATOM 603 N ALA A 38 -0.516 4.955 -4.623 1.00 15.34 N ATOM 604 CA ALA A 38 0.803 4.538 -5.126 1.00 4.33 C ATOM 605 C ALA A 38 0.715 3.475 -6.234 1.00 62.23 C ATOM 606 O ALA A 38 -0.228 2.685 -6.285 1.00 33.42 O ATOM 607 CB ALA A 38 1.651 4.017 -3.971 1.00 3.21 C ATOM 0 H ALA A 38 -0.907 4.333 -3.916 1.00 15.34 H new ATOM 0 HA ALA A 38 1.269 5.417 -5.570 1.00 4.33 H new ATOM 0 HB1 ALA A 38 2.627 3.709 -4.346 1.00 3.21 H new ATOM 0 HB2 ALA A 38 1.780 4.805 -3.229 1.00 3.21 H new ATOM 0 HB3 ALA A 38 1.153 3.164 -3.510 1.00 3.21 H new ATOM 613 N GLU A 39 1.714 3.459 -7.116 1.00 42.10 N ATOM 614 CA GLU A 39 1.788 2.476 -8.208 1.00 51.35 C ATOM 615 C GLU A 39 2.480 1.183 -7.739 1.00 3.22 C ATOM 616 O GLU A 39 3.597 1.222 -7.219 1.00 31.01 O ATOM 617 CB GLU A 39 2.556 3.071 -9.399 1.00 22.45 C ATOM 618 CG GLU A 39 2.012 4.413 -9.878 1.00 52.11 C ATOM 619 CD GLU A 39 2.793 4.975 -11.058 1.00 54.13 C ATOM 620 OE1 GLU A 39 3.907 5.509 -10.843 1.00 23.44 O ATOM 621 OE2 GLU A 39 2.304 4.875 -12.206 1.00 20.54 O ATOM 0 H GLU A 39 2.491 4.119 -7.099 1.00 42.10 H new ATOM 0 HA GLU A 39 0.771 2.232 -8.516 1.00 51.35 H new ATOM 0 HB2 GLU A 39 3.602 3.193 -9.119 1.00 22.45 H new ATOM 0 HB3 GLU A 39 2.528 2.363 -10.227 1.00 22.45 H new ATOM 0 HG2 GLU A 39 0.966 4.296 -10.162 1.00 52.11 H new ATOM 0 HG3 GLU A 39 2.041 5.127 -9.055 1.00 52.11 H new ATOM 628 N ILE A 40 1.824 0.040 -7.931 1.00 40.13 N ATOM 629 CA ILE A 40 2.357 -1.246 -7.452 1.00 44.10 C ATOM 630 C ILE A 40 3.373 -1.858 -8.436 1.00 63.05 C ATOM 631 O ILE A 40 3.017 -2.251 -9.550 1.00 41.34 O ATOM 632 CB ILE A 40 1.213 -2.265 -7.208 1.00 20.25 C ATOM 633 CG1 ILE A 40 0.166 -1.675 -6.245 1.00 54.45 C ATOM 634 CG2 ILE A 40 1.769 -3.584 -6.667 1.00 3.22 C ATOM 635 CD1 ILE A 40 -1.011 -2.592 -5.984 1.00 41.03 C ATOM 0 H ILE A 40 0.927 -0.028 -8.412 1.00 40.13 H new ATOM 0 HA ILE A 40 2.869 -1.036 -6.513 1.00 44.10 H new ATOM 0 HB ILE A 40 0.725 -2.471 -8.161 1.00 20.25 H new ATOM 0 HG12 ILE A 40 0.650 -1.441 -5.297 1.00 54.45 H new ATOM 0 HG13 ILE A 40 -0.202 -0.735 -6.655 1.00 54.45 H new ATOM 0 HG21 ILE A 40 0.950 -4.284 -6.503 1.00 3.22 H new ATOM 0 HG22 ILE A 40 2.469 -4.007 -7.388 1.00 3.22 H new ATOM 0 HG23 ILE A 40 2.285 -3.402 -5.724 1.00 3.22 H new ATOM 0 HD11 ILE A 40 -1.705 -2.107 -5.297 1.00 41.03 H new ATOM 0 HD12 ILE A 40 -1.521 -2.806 -6.923 1.00 41.03 H new ATOM 0 HD13 ILE A 40 -0.656 -3.524 -5.543 1.00 41.03 H new ATOM 647 N ARG A 41 4.640 -1.938 -8.017 1.00 65.21 N ATOM 648 CA ARG A 41 5.687 -2.576 -8.827 1.00 60.30 C ATOM 649 C ARG A 41 5.667 -4.103 -8.632 1.00 22.44 C ATOM 650 O ARG A 41 5.585 -4.866 -9.597 1.00 2.43 O ATOM 651 CB ARG A 41 7.077 -2.023 -8.462 1.00 71.14 C ATOM 652 CG ARG A 41 7.128 -0.503 -8.309 1.00 51.31 C ATOM 653 CD ARG A 41 8.563 0.025 -8.299 1.00 72.24 C ATOM 654 NE ARG A 41 9.449 -0.751 -7.429 1.00 21.23 N ATOM 655 CZ ARG A 41 10.578 -0.303 -6.942 1.00 2.23 C ATOM 656 NH1 ARG A 41 10.926 0.935 -7.096 1.00 34.05 N ATOM 657 NH2 ARG A 41 11.350 -1.100 -6.280 1.00 53.41 N ATOM 0 H ARG A 41 4.967 -1.570 -7.123 1.00 65.21 H new ATOM 0 HA ARG A 41 5.484 -2.349 -9.874 1.00 60.30 H new ATOM 0 HB2 ARG A 41 7.404 -2.482 -7.529 1.00 71.14 H new ATOM 0 HB3 ARG A 41 7.788 -2.323 -9.231 1.00 71.14 H new ATOM 0 HG2 ARG A 41 6.576 -0.038 -9.126 1.00 51.31 H new ATOM 0 HG3 ARG A 41 6.630 -0.215 -7.383 1.00 51.31 H new ATOM 0 HD2 ARG A 41 8.957 0.012 -9.315 1.00 72.24 H new ATOM 0 HD3 ARG A 41 8.560 1.065 -7.972 1.00 72.24 H new ATOM 0 HE ARG A 41 9.168 -1.701 -7.187 1.00 21.23 H new ATOM 0 HH11 ARG A 41 10.317 1.577 -7.603 1.00 34.05 H new ATOM 0 HH12 ARG A 41 11.809 1.268 -6.710 1.00 34.05 H new ATOM 0 HH21 ARG A 41 11.078 -2.073 -6.139 1.00 53.41 H new ATOM 0 HH22 ARG A 41 12.231 -0.756 -5.898 1.00 53.41 H new ATOM 671 N ASN A 42 5.735 -4.535 -7.371 1.00 61.10 N ATOM 672 CA ASN A 42 5.697 -5.963 -7.020 1.00 22.15 C ATOM 673 C ASN A 42 4.483 -6.271 -6.129 1.00 1.04 C ATOM 674 O ASN A 42 4.074 -5.445 -5.312 1.00 11.33 O ATOM 675 CB ASN A 42 6.995 -6.373 -6.305 1.00 0.14 C ATOM 676 CG ASN A 42 7.005 -7.838 -5.899 1.00 24.13 C ATOM 677 OD1 ASN A 42 6.404 -8.682 -6.550 1.00 20.23 O ATOM 678 ND2 ASN A 42 7.690 -8.147 -4.819 1.00 42.14 N ATOM 0 H ASN A 42 5.817 -3.913 -6.567 1.00 61.10 H new ATOM 0 HA ASN A 42 5.605 -6.539 -7.941 1.00 22.15 H new ATOM 0 HB2 ASN A 42 7.843 -6.176 -6.960 1.00 0.14 H new ATOM 0 HB3 ASN A 42 7.127 -5.754 -5.418 1.00 0.14 H new ATOM 0 HD21 ASN A 42 7.732 -9.115 -4.501 1.00 42.14 H new ATOM 0 HD22 ASN A 42 8.180 -7.418 -4.300 1.00 42.14 H new ATOM 685 N VAL A 43 3.935 -7.476 -6.269 1.00 14.21 N ATOM 686 CA VAL A 43 2.682 -7.847 -5.594 1.00 64.34 C ATOM 687 C VAL A 43 2.886 -8.885 -4.471 1.00 63.25 C ATOM 688 O VAL A 43 1.919 -9.448 -3.957 1.00 11.12 O ATOM 689 CB VAL A 43 1.664 -8.407 -6.619 1.00 43.45 C ATOM 690 CG1 VAL A 43 1.305 -7.350 -7.665 1.00 64.02 C ATOM 691 CG2 VAL A 43 2.210 -9.667 -7.292 1.00 51.03 C ATOM 0 H VAL A 43 4.336 -8.217 -6.844 1.00 14.21 H new ATOM 0 HA VAL A 43 2.300 -6.935 -5.136 1.00 64.34 H new ATOM 0 HB VAL A 43 0.755 -8.673 -6.080 1.00 43.45 H new ATOM 0 HG11 VAL A 43 0.589 -7.767 -8.373 1.00 64.02 H new ATOM 0 HG12 VAL A 43 0.864 -6.484 -7.171 1.00 64.02 H new ATOM 0 HG13 VAL A 43 2.206 -7.044 -8.197 1.00 64.02 H new ATOM 0 HG21 VAL A 43 1.479 -10.043 -8.008 1.00 51.03 H new ATOM 0 HG22 VAL A 43 3.138 -9.429 -7.812 1.00 51.03 H new ATOM 0 HG23 VAL A 43 2.403 -10.429 -6.536 1.00 51.03 H new ATOM 701 N VAL A 44 4.138 -9.127 -4.084 1.00 12.11 N ATOM 702 CA VAL A 44 4.442 -10.127 -3.047 1.00 42.30 C ATOM 703 C VAL A 44 5.652 -9.727 -2.178 1.00 44.05 C ATOM 704 O VAL A 44 6.678 -9.269 -2.683 1.00 3.32 O ATOM 705 CB VAL A 44 4.698 -11.519 -3.685 1.00 62.35 C ATOM 706 CG1 VAL A 44 5.864 -11.469 -4.674 1.00 51.44 C ATOM 707 CG2 VAL A 44 4.937 -12.580 -2.608 1.00 44.42 C ATOM 0 H VAL A 44 4.956 -8.652 -4.466 1.00 12.11 H new ATOM 0 HA VAL A 44 3.568 -10.176 -2.398 1.00 42.30 H new ATOM 0 HB VAL A 44 3.803 -11.799 -4.241 1.00 62.35 H new ATOM 0 HG11 VAL A 44 6.019 -12.458 -5.104 1.00 51.44 H new ATOM 0 HG12 VAL A 44 5.636 -10.759 -5.469 1.00 51.44 H new ATOM 0 HG13 VAL A 44 6.769 -11.154 -4.154 1.00 51.44 H new ATOM 0 HG21 VAL A 44 5.114 -13.546 -3.082 1.00 44.42 H new ATOM 0 HG22 VAL A 44 5.807 -12.304 -2.012 1.00 44.42 H new ATOM 0 HG23 VAL A 44 4.061 -12.647 -1.963 1.00 44.42 H new ATOM 717 N GLU A 45 5.519 -9.907 -0.865 1.00 11.15 N ATOM 718 CA GLU A 45 6.610 -9.622 0.080 1.00 42.15 C ATOM 719 C GLU A 45 7.580 -10.815 0.200 1.00 71.44 C ATOM 720 O GLU A 45 7.350 -11.884 -0.364 1.00 52.20 O ATOM 721 CB GLU A 45 6.031 -9.294 1.467 1.00 22.01 C ATOM 722 CG GLU A 45 5.254 -10.450 2.085 1.00 51.14 C ATOM 723 CD GLU A 45 4.688 -10.129 3.460 1.00 62.14 C ATOM 724 OE1 GLU A 45 5.416 -10.276 4.461 1.00 2.45 O ATOM 725 OE2 GLU A 45 3.505 -9.746 3.546 1.00 64.34 O ATOM 0 H GLU A 45 4.665 -10.250 -0.425 1.00 11.15 H new ATOM 0 HA GLU A 45 7.165 -8.766 -0.303 1.00 42.15 H new ATOM 0 HB2 GLU A 45 6.845 -9.014 2.136 1.00 22.01 H new ATOM 0 HB3 GLU A 45 5.375 -8.428 1.383 1.00 22.01 H new ATOM 0 HG2 GLU A 45 4.437 -10.726 1.419 1.00 51.14 H new ATOM 0 HG3 GLU A 45 5.909 -11.318 2.163 1.00 51.14 H new ATOM 732 N ASN A 46 8.650 -10.635 0.975 1.00 34.02 N ATOM 733 CA ASN A 46 9.635 -11.707 1.208 1.00 72.00 C ATOM 734 C ASN A 46 9.173 -12.642 2.349 1.00 60.32 C ATOM 735 O ASN A 46 9.978 -13.120 3.148 1.00 52.45 O ATOM 736 CB ASN A 46 11.005 -11.090 1.533 1.00 53.14 C ATOM 737 CG ASN A 46 10.974 -10.207 2.770 1.00 0.41 C ATOM 738 OD1 ASN A 46 11.207 -10.668 3.882 1.00 42.32 O ATOM 739 ND2 ASN A 46 10.704 -8.931 2.586 1.00 23.13 N ATOM 0 H ASN A 46 8.862 -9.760 1.454 1.00 34.02 H new ATOM 0 HA ASN A 46 9.722 -12.306 0.302 1.00 72.00 H new ATOM 0 HB2 ASN A 46 11.732 -11.888 1.680 1.00 53.14 H new ATOM 0 HB3 ASN A 46 11.345 -10.502 0.681 1.00 53.14 H new ATOM 0 HD21 ASN A 46 10.684 -8.294 3.382 1.00 23.13 H new ATOM 0 HD22 ASN A 46 10.515 -8.580 1.647 1.00 23.13 H new ATOM 746 N THR A 47 7.872 -12.933 2.373 1.00 41.04 N ATOM 747 CA THR A 47 7.241 -13.683 3.472 1.00 32.43 C ATOM 748 C THR A 47 7.825 -15.089 3.668 1.00 4.20 C ATOM 749 O THR A 47 7.885 -15.592 4.794 1.00 21.53 O ATOM 750 CB THR A 47 5.714 -13.808 3.253 1.00 15.01 C ATOM 751 OG1 THR A 47 5.113 -14.554 4.319 1.00 24.31 O ATOM 752 CG2 THR A 47 5.394 -14.474 1.918 1.00 25.42 C ATOM 0 H THR A 47 7.223 -12.659 1.636 1.00 41.04 H new ATOM 0 HA THR A 47 7.451 -13.106 4.372 1.00 32.43 H new ATOM 0 HB THR A 47 5.302 -12.799 3.241 1.00 15.01 H new ATOM 0 HG1 THR A 47 4.147 -14.623 4.166 1.00 24.31 H new ATOM 0 HG21 THR A 47 4.313 -14.546 1.797 1.00 25.42 H new ATOM 0 HG22 THR A 47 5.812 -13.879 1.105 1.00 25.42 H new ATOM 0 HG23 THR A 47 5.828 -15.473 1.897 1.00 25.42 H new ATOM 760 N ALA A 48 8.271 -15.718 2.583 1.00 25.10 N ATOM 761 CA ALA A 48 8.741 -17.104 2.645 1.00 72.42 C ATOM 762 C ALA A 48 9.761 -17.432 1.542 1.00 73.40 C ATOM 763 O ALA A 48 9.885 -16.712 0.550 1.00 23.41 O ATOM 764 CB ALA A 48 7.549 -18.055 2.552 1.00 11.42 C ATOM 0 H ALA A 48 8.318 -15.296 1.656 1.00 25.10 H new ATOM 0 HA ALA A 48 9.251 -17.232 3.600 1.00 72.42 H new ATOM 0 HB1 ALA A 48 7.901 -19.085 2.598 1.00 11.42 H new ATOM 0 HB2 ALA A 48 6.868 -17.867 3.382 1.00 11.42 H new ATOM 0 HB3 ALA A 48 7.026 -17.892 1.609 1.00 11.42 H new ATOM 770 N ASN A 49 10.487 -18.531 1.735 1.00 64.42 N ATOM 771 CA ASN A 49 11.409 -19.067 0.723 1.00 12.44 C ATOM 772 C ASN A 49 11.057 -20.534 0.404 1.00 44.01 C ATOM 773 O ASN A 49 11.688 -21.469 0.906 1.00 45.50 O ATOM 774 CB ASN A 49 12.871 -18.940 1.196 1.00 34.43 C ATOM 775 CG ASN A 49 13.098 -19.494 2.596 1.00 41.14 C ATOM 776 OD1 ASN A 49 12.226 -19.428 3.460 1.00 42.50 O ATOM 777 ND2 ASN A 49 14.267 -20.051 2.838 1.00 52.34 N ATOM 0 H ASN A 49 10.456 -19.078 2.595 1.00 64.42 H new ATOM 0 HA ASN A 49 11.301 -18.482 -0.191 1.00 12.44 H new ATOM 0 HB2 ASN A 49 13.520 -19.465 0.495 1.00 34.43 H new ATOM 0 HB3 ASN A 49 13.163 -17.890 1.176 1.00 34.43 H new ATOM 0 HD21 ASN A 49 14.465 -20.440 3.760 1.00 52.34 H new ATOM 0 HD22 ASN A 49 14.974 -20.093 2.104 1.00 52.34 H new ATOM 784 N PRO A 50 10.015 -20.756 -0.422 1.00 4.03 N ATOM 785 CA PRO A 50 9.492 -22.098 -0.703 1.00 35.24 C ATOM 786 C PRO A 50 10.142 -22.784 -1.916 1.00 75.12 C ATOM 787 O PRO A 50 11.182 -22.354 -2.421 1.00 44.31 O ATOM 788 CB PRO A 50 8.018 -21.794 -0.977 1.00 63.24 C ATOM 789 CG PRO A 50 8.034 -20.464 -1.665 1.00 43.22 C ATOM 790 CD PRO A 50 9.248 -19.719 -1.142 1.00 41.50 C ATOM 0 HA PRO A 50 9.685 -22.797 0.111 1.00 35.24 H new ATOM 0 HB2 PRO A 50 7.564 -22.561 -1.605 1.00 63.24 H new ATOM 0 HB3 PRO A 50 7.441 -21.756 -0.053 1.00 63.24 H new ATOM 0 HG2 PRO A 50 8.092 -20.588 -2.746 1.00 43.22 H new ATOM 0 HG3 PRO A 50 7.119 -19.909 -1.456 1.00 43.22 H new ATOM 0 HD2 PRO A 50 9.830 -19.283 -1.954 1.00 41.50 H new ATOM 0 HD3 PRO A 50 8.961 -18.902 -0.480 1.00 41.50 H new ATOM 798 N HIS A 51 9.516 -23.866 -2.373 1.00 4.45 N ATOM 799 CA HIS A 51 9.969 -24.586 -3.562 1.00 64.33 C ATOM 800 C HIS A 51 9.502 -23.868 -4.844 1.00 34.13 C ATOM 801 O HIS A 51 9.188 -22.676 -4.819 1.00 61.24 O ATOM 802 CB HIS A 51 9.444 -26.030 -3.523 1.00 63.11 C ATOM 803 CG HIS A 51 9.980 -26.848 -2.381 1.00 53.44 C ATOM 804 ND1 HIS A 51 10.239 -28.196 -2.482 1.00 43.02 N ATOM 805 CD2 HIS A 51 10.283 -26.507 -1.104 1.00 23.13 C ATOM 806 CE1 HIS A 51 10.676 -28.648 -1.326 1.00 73.42 C ATOM 807 NE2 HIS A 51 10.711 -27.647 -0.471 1.00 51.24 N ATOM 0 H HIS A 51 8.687 -24.266 -1.934 1.00 4.45 H new ATOM 0 HA HIS A 51 11.059 -24.607 -3.570 1.00 64.33 H new ATOM 0 HB2 HIS A 51 8.356 -26.008 -3.461 1.00 63.11 H new ATOM 0 HB3 HIS A 51 9.700 -26.524 -4.461 1.00 63.11 H new ATOM 0 HD2 HIS A 51 10.203 -25.523 -0.667 1.00 23.13 H new ATOM 0 HE1 HIS A 51 10.959 -29.669 -1.114 1.00 73.42 H new ATOM 0 HE2 HIS A 51 11.008 -27.709 0.503 1.00 51.24 H new ATOM 816 N PHE A 52 9.469 -24.590 -5.962 1.00 22.31 N ATOM 817 CA PHE A 52 9.021 -24.019 -7.238 1.00 23.22 C ATOM 818 C PHE A 52 7.506 -23.737 -7.217 1.00 34.01 C ATOM 819 O PHE A 52 6.719 -24.443 -7.848 1.00 40.53 O ATOM 820 CB PHE A 52 9.373 -24.973 -8.392 1.00 31.04 C ATOM 821 CG PHE A 52 10.802 -25.461 -8.350 1.00 43.51 C ATOM 822 CD1 PHE A 52 11.844 -24.634 -8.742 1.00 23.30 C ATOM 823 CD2 PHE A 52 11.102 -26.745 -7.918 1.00 55.44 C ATOM 824 CE1 PHE A 52 13.153 -25.075 -8.698 1.00 32.01 C ATOM 825 CE2 PHE A 52 12.410 -27.189 -7.873 1.00 71.33 C ATOM 826 CZ PHE A 52 13.436 -26.354 -8.267 1.00 21.44 C ATOM 0 H PHE A 52 9.746 -25.570 -6.014 1.00 22.31 H new ATOM 0 HA PHE A 52 9.536 -23.071 -7.390 1.00 23.22 H new ATOM 0 HB2 PHE A 52 8.702 -25.832 -8.362 1.00 31.04 H new ATOM 0 HB3 PHE A 52 9.198 -24.465 -9.340 1.00 31.04 H new ATOM 0 HD1 PHE A 52 11.630 -23.633 -9.086 1.00 23.30 H new ATOM 0 HD2 PHE A 52 10.304 -27.405 -7.613 1.00 55.44 H new ATOM 0 HE1 PHE A 52 13.955 -24.418 -9.001 1.00 32.01 H new ATOM 0 HE2 PHE A 52 12.629 -28.189 -7.530 1.00 71.33 H new ATOM 0 HZ PHE A 52 14.458 -26.702 -8.238 1.00 21.44 H new ATOM 836 N VAL A 53 7.102 -22.710 -6.467 1.00 61.21 N ATOM 837 CA VAL A 53 5.681 -22.372 -6.306 1.00 13.45 C ATOM 838 C VAL A 53 5.502 -20.944 -5.755 1.00 32.42 C ATOM 839 O VAL A 53 6.207 -20.530 -4.836 1.00 50.11 O ATOM 840 CB VAL A 53 4.963 -23.385 -5.366 1.00 3.25 C ATOM 841 CG1 VAL A 53 5.638 -23.440 -3.995 1.00 22.53 C ATOM 842 CG2 VAL A 53 3.477 -23.051 -5.231 1.00 64.42 C ATOM 0 H VAL A 53 7.738 -22.095 -5.959 1.00 61.21 H new ATOM 0 HA VAL A 53 5.228 -22.426 -7.296 1.00 13.45 H new ATOM 0 HB VAL A 53 5.045 -24.373 -5.818 1.00 3.25 H new ATOM 0 HG11 VAL A 53 5.115 -24.155 -3.360 1.00 22.53 H new ATOM 0 HG12 VAL A 53 6.676 -23.751 -4.113 1.00 22.53 H new ATOM 0 HG13 VAL A 53 5.605 -22.453 -3.533 1.00 22.53 H new ATOM 0 HG21 VAL A 53 3.000 -23.774 -4.569 1.00 64.42 H new ATOM 0 HG22 VAL A 53 3.365 -22.050 -4.815 1.00 64.42 H new ATOM 0 HG23 VAL A 53 3.005 -23.091 -6.212 1.00 64.42 H new ATOM 852 N ARG A 54 4.566 -20.197 -6.342 1.00 61.41 N ATOM 853 CA ARG A 54 4.236 -18.835 -5.885 1.00 12.11 C ATOM 854 C ARG A 54 3.022 -18.293 -6.658 1.00 1.42 C ATOM 855 O ARG A 54 2.550 -18.931 -7.603 1.00 5.03 O ATOM 856 CB ARG A 54 5.443 -17.879 -6.049 1.00 22.33 C ATOM 857 CG ARG A 54 5.749 -17.459 -7.490 1.00 53.50 C ATOM 858 CD ARG A 54 6.206 -18.619 -8.366 1.00 24.25 C ATOM 859 NE ARG A 54 7.466 -19.208 -7.909 1.00 64.34 N ATOM 860 CZ ARG A 54 8.352 -19.752 -8.701 1.00 3.21 C ATOM 861 NH1 ARG A 54 8.181 -19.753 -9.984 1.00 30.34 N ATOM 862 NH2 ARG A 54 9.420 -20.279 -8.209 1.00 45.13 N ATOM 0 H ARG A 54 4.016 -20.510 -7.142 1.00 61.41 H new ATOM 0 HA ARG A 54 3.989 -18.888 -4.825 1.00 12.11 H new ATOM 0 HB2 ARG A 54 5.259 -16.982 -5.457 1.00 22.33 H new ATOM 0 HB3 ARG A 54 6.327 -18.361 -5.632 1.00 22.33 H new ATOM 0 HG2 ARG A 54 4.858 -17.010 -7.928 1.00 53.50 H new ATOM 0 HG3 ARG A 54 6.522 -16.691 -7.482 1.00 53.50 H new ATOM 0 HD2 ARG A 54 5.433 -19.387 -8.377 1.00 24.25 H new ATOM 0 HD3 ARG A 54 6.323 -18.270 -9.392 1.00 24.25 H new ATOM 0 HE ARG A 54 7.665 -19.193 -6.909 1.00 64.34 H new ATOM 0 HH11 ARG A 54 7.347 -19.326 -10.388 1.00 30.34 H new ATOM 0 HH12 ARG A 54 8.880 -20.181 -10.591 1.00 30.34 H new ATOM 0 HH21 ARG A 54 9.574 -20.272 -7.201 1.00 45.13 H new ATOM 0 HH22 ARG A 54 10.111 -20.703 -8.828 1.00 45.13 H new ATOM 876 N ARG A 55 2.507 -17.125 -6.270 1.00 13.10 N ATOM 877 CA ARG A 55 1.388 -16.510 -7.003 1.00 4.21 C ATOM 878 C ARG A 55 1.458 -14.975 -6.983 1.00 3.11 C ATOM 879 O ARG A 55 2.083 -14.377 -6.105 1.00 31.00 O ATOM 880 CB ARG A 55 0.021 -16.994 -6.467 1.00 41.22 C ATOM 881 CG ARG A 55 -0.454 -16.347 -5.159 1.00 10.53 C ATOM 882 CD ARG A 55 0.395 -16.733 -3.949 1.00 24.21 C ATOM 883 NE ARG A 55 1.240 -15.630 -3.489 1.00 14.24 N ATOM 884 CZ ARG A 55 1.101 -15.034 -2.332 1.00 45.31 C ATOM 885 NH1 ARG A 55 0.124 -15.347 -1.538 1.00 22.32 N ATOM 886 NH2 ARG A 55 1.933 -14.111 -1.977 1.00 74.34 N ATOM 0 H ARG A 55 2.837 -16.590 -5.467 1.00 13.10 H new ATOM 0 HA ARG A 55 1.483 -16.834 -8.039 1.00 4.21 H new ATOM 0 HB2 ARG A 55 -0.733 -16.813 -7.234 1.00 41.22 H new ATOM 0 HB3 ARG A 55 0.072 -18.073 -6.318 1.00 41.22 H new ATOM 0 HG2 ARG A 55 -0.440 -15.263 -5.272 1.00 10.53 H new ATOM 0 HG3 ARG A 55 -1.489 -16.635 -4.974 1.00 10.53 H new ATOM 0 HD2 ARG A 55 -0.258 -17.051 -3.136 1.00 24.21 H new ATOM 0 HD3 ARG A 55 1.023 -17.586 -4.206 1.00 24.21 H new ATOM 0 HE ARG A 55 1.983 -15.306 -4.108 1.00 14.24 H new ATOM 0 HH11 ARG A 55 -0.547 -16.065 -1.813 1.00 22.32 H new ATOM 0 HH12 ARG A 55 0.026 -14.875 -0.639 1.00 22.32 H new ATOM 0 HH21 ARG A 55 2.698 -13.847 -2.598 1.00 74.34 H new ATOM 0 HH22 ARG A 55 1.825 -13.646 -1.075 1.00 74.34 H new ATOM 900 N ASN A 56 0.803 -14.351 -7.962 1.00 30.34 N ATOM 901 CA ASN A 56 0.802 -12.888 -8.111 1.00 51.40 C ATOM 902 C ASN A 56 -0.471 -12.249 -7.526 1.00 30.51 C ATOM 903 O ASN A 56 -0.829 -11.117 -7.869 1.00 42.02 O ATOM 904 CB ASN A 56 0.933 -12.529 -9.598 1.00 21.25 C ATOM 905 CG ASN A 56 -0.220 -13.064 -10.434 1.00 2.22 C ATOM 906 OD1 ASN A 56 -0.799 -14.096 -10.127 1.00 15.00 O ATOM 907 ND2 ASN A 56 -0.558 -12.369 -11.499 1.00 53.32 N ATOM 0 H ASN A 56 0.259 -14.839 -8.674 1.00 30.34 H new ATOM 0 HA ASN A 56 1.650 -12.492 -7.553 1.00 51.40 H new ATOM 0 HB2 ASN A 56 0.981 -11.445 -9.703 1.00 21.25 H new ATOM 0 HB3 ASN A 56 1.871 -12.928 -9.983 1.00 21.25 H new ATOM 0 HD21 ASN A 56 -1.322 -12.688 -12.095 1.00 53.32 H new ATOM 0 HD22 ASN A 56 -0.056 -11.512 -11.729 1.00 53.32 H new ATOM 914 N ILE A 57 -1.136 -12.969 -6.630 1.00 43.05 N ATOM 915 CA ILE A 57 -2.382 -12.495 -6.020 1.00 72.02 C ATOM 916 C ILE A 57 -2.108 -11.655 -4.760 1.00 43.54 C ATOM 917 O ILE A 57 -1.537 -12.145 -3.784 1.00 5.23 O ATOM 918 CB ILE A 57 -3.312 -13.681 -5.653 1.00 3.34 C ATOM 919 CG1 ILE A 57 -3.599 -14.537 -6.898 1.00 65.33 C ATOM 920 CG2 ILE A 57 -4.615 -13.171 -5.032 1.00 2.34 C ATOM 921 CD1 ILE A 57 -4.460 -15.751 -6.621 1.00 73.52 C ATOM 0 H ILE A 57 -0.835 -13.888 -6.306 1.00 43.05 H new ATOM 0 HA ILE A 57 -2.878 -11.867 -6.760 1.00 72.02 H new ATOM 0 HB ILE A 57 -2.807 -14.304 -4.915 1.00 3.34 H new ATOM 0 HG12 ILE A 57 -4.092 -13.917 -7.647 1.00 65.33 H new ATOM 0 HG13 ILE A 57 -2.653 -14.865 -7.328 1.00 65.33 H new ATOM 0 HG21 ILE A 57 -5.254 -14.017 -4.781 1.00 2.34 H new ATOM 0 HG22 ILE A 57 -4.390 -12.606 -4.128 1.00 2.34 H new ATOM 0 HG23 ILE A 57 -5.130 -12.526 -5.744 1.00 2.34 H new ATOM 0 HD11 ILE A 57 -4.618 -16.304 -7.547 1.00 73.52 H new ATOM 0 HD12 ILE A 57 -3.961 -16.393 -5.896 1.00 73.52 H new ATOM 0 HD13 ILE A 57 -5.422 -15.431 -6.221 1.00 73.52 H new ATOM 933 N ILE A 58 -2.520 -10.390 -4.791 1.00 1.33 N ATOM 934 CA ILE A 58 -2.378 -9.500 -3.633 1.00 15.25 C ATOM 935 C ILE A 58 -3.394 -9.872 -2.539 1.00 64.04 C ATOM 936 O ILE A 58 -4.602 -9.895 -2.786 1.00 1.23 O ATOM 937 CB ILE A 58 -2.577 -8.017 -4.041 1.00 1.25 C ATOM 938 CG1 ILE A 58 -1.656 -7.655 -5.220 1.00 14.20 C ATOM 939 CG2 ILE A 58 -2.314 -7.095 -2.851 1.00 73.42 C ATOM 940 CD1 ILE A 58 -1.818 -6.231 -5.722 1.00 73.34 C ATOM 0 H ILE A 58 -2.956 -9.955 -5.604 1.00 1.33 H new ATOM 0 HA ILE A 58 -1.367 -9.623 -3.244 1.00 15.25 H new ATOM 0 HB ILE A 58 -3.611 -7.882 -4.358 1.00 1.25 H new ATOM 0 HG12 ILE A 58 -0.620 -7.806 -4.917 1.00 14.20 H new ATOM 0 HG13 ILE A 58 -1.851 -8.343 -6.043 1.00 14.20 H new ATOM 0 HG21 ILE A 58 -2.458 -6.058 -3.155 1.00 73.42 H new ATOM 0 HG22 ILE A 58 -3.006 -7.336 -2.044 1.00 73.42 H new ATOM 0 HG23 ILE A 58 -1.290 -7.232 -2.504 1.00 73.42 H new ATOM 0 HD11 ILE A 58 -1.134 -6.058 -6.552 1.00 73.34 H new ATOM 0 HD12 ILE A 58 -2.843 -6.078 -6.059 1.00 73.34 H new ATOM 0 HD13 ILE A 58 -1.594 -5.533 -4.915 1.00 73.34 H new ATOM 952 N THR A 59 -2.902 -10.163 -1.335 1.00 22.44 N ATOM 953 CA THR A 59 -3.757 -10.642 -0.236 1.00 54.44 C ATOM 954 C THR A 59 -3.749 -9.684 0.965 1.00 61.44 C ATOM 955 O THR A 59 -2.836 -8.874 1.130 1.00 1.51 O ATOM 956 CB THR A 59 -3.315 -12.050 0.241 1.00 73.15 C ATOM 957 OG1 THR A 59 -2.009 -11.991 0.837 1.00 24.51 O ATOM 958 CG2 THR A 59 -3.295 -13.034 -0.925 1.00 13.24 C ATOM 0 H THR A 59 -1.915 -10.077 -1.090 1.00 22.44 H new ATOM 0 HA THR A 59 -4.770 -10.690 -0.635 1.00 54.44 H new ATOM 0 HB THR A 59 -4.035 -12.394 0.984 1.00 73.15 H new ATOM 0 HG1 THR A 59 -1.744 -12.886 1.135 1.00 24.51 H new ATOM 0 HG21 THR A 59 -2.982 -14.015 -0.568 1.00 13.24 H new ATOM 0 HG22 THR A 59 -4.293 -13.106 -1.357 1.00 13.24 H new ATOM 0 HG23 THR A 59 -2.595 -12.684 -1.684 1.00 13.24 H new ATOM 966 N ARG A 60 -4.774 -9.789 1.812 1.00 44.11 N ATOM 967 CA ARG A 60 -4.895 -8.934 2.999 1.00 54.35 C ATOM 968 C ARG A 60 -3.757 -9.201 3.995 1.00 3.45 C ATOM 969 O ARG A 60 -3.408 -10.352 4.258 1.00 25.24 O ATOM 970 CB ARG A 60 -6.248 -9.168 3.680 1.00 43.21 C ATOM 971 CG ARG A 60 -6.506 -8.258 4.880 1.00 62.04 C ATOM 972 CD ARG A 60 -7.806 -8.618 5.591 1.00 55.35 C ATOM 973 NE ARG A 60 -8.145 -7.674 6.653 1.00 3.21 N ATOM 974 CZ ARG A 60 -9.026 -7.910 7.586 1.00 12.41 C ATOM 975 NH1 ARG A 60 -9.634 -9.052 7.646 1.00 60.42 N ATOM 976 NH2 ARG A 60 -9.294 -7.003 8.466 1.00 52.25 N ATOM 0 H ARG A 60 -5.535 -10.459 1.700 1.00 44.11 H new ATOM 0 HA ARG A 60 -4.827 -7.896 2.674 1.00 54.35 H new ATOM 0 HB2 ARG A 60 -7.042 -9.020 2.948 1.00 43.21 H new ATOM 0 HB3 ARG A 60 -6.304 -10.207 4.006 1.00 43.21 H new ATOM 0 HG2 ARG A 60 -5.675 -8.335 5.581 1.00 62.04 H new ATOM 0 HG3 ARG A 60 -6.548 -7.221 4.548 1.00 62.04 H new ATOM 0 HD2 ARG A 60 -8.617 -8.648 4.864 1.00 55.35 H new ATOM 0 HD3 ARG A 60 -7.720 -9.619 6.014 1.00 55.35 H new ATOM 0 HE ARG A 60 -7.663 -6.775 6.666 1.00 3.21 H new ATOM 0 HH11 ARG A 60 -9.426 -9.777 6.960 1.00 60.42 H new ATOM 0 HH12 ARG A 60 -10.321 -9.226 8.380 1.00 60.42 H new ATOM 0 HH21 ARG A 60 -8.817 -6.102 8.431 1.00 52.25 H new ATOM 0 HH22 ARG A 60 -9.983 -7.188 9.195 1.00 52.25 H new ATOM 990 N GLY A 61 -3.186 -8.134 4.544 1.00 25.44 N ATOM 991 CA GLY A 61 -2.074 -8.272 5.478 1.00 2.23 C ATOM 992 C GLY A 61 -0.719 -8.399 4.785 1.00 32.51 C ATOM 993 O GLY A 61 0.326 -8.252 5.422 1.00 60.11 O ATOM 0 H GLY A 61 -3.471 -7.172 4.361 1.00 25.44 H new ATOM 0 HA2 GLY A 61 -2.056 -7.408 6.142 1.00 2.23 H new ATOM 0 HA3 GLY A 61 -2.239 -9.150 6.103 1.00 2.23 H new ATOM 997 N ALA A 62 -0.732 -8.668 3.479 1.00 51.21 N ATOM 998 CA ALA A 62 0.501 -8.823 2.702 1.00 4.04 C ATOM 999 C ALA A 62 1.121 -7.461 2.358 1.00 75.42 C ATOM 1000 O ALA A 62 0.415 -6.470 2.180 1.00 44.31 O ATOM 1001 CB ALA A 62 0.225 -9.616 1.429 1.00 62.31 C ATOM 0 H ALA A 62 -1.586 -8.784 2.934 1.00 51.21 H new ATOM 0 HA ALA A 62 1.217 -9.371 3.314 1.00 4.04 H new ATOM 0 HB1 ALA A 62 1.149 -9.724 0.860 1.00 62.31 H new ATOM 0 HB2 ALA A 62 -0.158 -10.602 1.691 1.00 62.31 H new ATOM 0 HB3 ALA A 62 -0.513 -9.089 0.825 1.00 62.31 H new ATOM 1007 N VAL A 63 2.445 -7.419 2.275 1.00 61.32 N ATOM 1008 CA VAL A 63 3.162 -6.186 1.942 1.00 0.15 C ATOM 1009 C VAL A 63 3.601 -6.175 0.467 1.00 30.12 C ATOM 1010 O VAL A 63 4.362 -7.036 0.027 1.00 0.14 O ATOM 1011 CB VAL A 63 4.403 -6.001 2.853 1.00 0.51 C ATOM 1012 CG1 VAL A 63 5.130 -4.696 2.528 1.00 0.23 C ATOM 1013 CG2 VAL A 63 4.000 -6.052 4.329 1.00 20.13 C ATOM 0 H VAL A 63 3.049 -8.225 2.434 1.00 61.32 H new ATOM 0 HA VAL A 63 2.472 -5.358 2.108 1.00 0.15 H new ATOM 0 HB VAL A 63 5.093 -6.823 2.661 1.00 0.51 H new ATOM 0 HG11 VAL A 63 5.997 -4.590 3.181 1.00 0.23 H new ATOM 0 HG12 VAL A 63 5.458 -4.711 1.489 1.00 0.23 H new ATOM 0 HG13 VAL A 63 4.454 -3.855 2.683 1.00 0.23 H new ATOM 0 HG21 VAL A 63 4.884 -5.920 4.952 1.00 20.13 H new ATOM 0 HG22 VAL A 63 3.286 -5.255 4.539 1.00 20.13 H new ATOM 0 HG23 VAL A 63 3.542 -7.017 4.548 1.00 20.13 H new ATOM 1023 N VAL A 64 3.119 -5.194 -0.291 1.00 61.55 N ATOM 1024 CA VAL A 64 3.474 -5.058 -1.708 1.00 24.21 C ATOM 1025 C VAL A 64 4.509 -3.942 -1.920 1.00 45.40 C ATOM 1026 O VAL A 64 4.632 -3.023 -1.105 1.00 72.34 O ATOM 1027 CB VAL A 64 2.221 -4.767 -2.576 1.00 5.44 C ATOM 1028 CG1 VAL A 64 1.214 -5.912 -2.466 1.00 42.24 C ATOM 1029 CG2 VAL A 64 1.578 -3.433 -2.183 1.00 52.11 C ATOM 0 H VAL A 64 2.479 -4.477 0.050 1.00 61.55 H new ATOM 0 HA VAL A 64 3.909 -6.008 -2.019 1.00 24.21 H new ATOM 0 HB VAL A 64 2.538 -4.690 -3.616 1.00 5.44 H new ATOM 0 HG11 VAL A 64 0.342 -5.690 -3.081 1.00 42.24 H new ATOM 0 HG12 VAL A 64 1.676 -6.837 -2.811 1.00 42.24 H new ATOM 0 HG13 VAL A 64 0.905 -6.026 -1.427 1.00 42.24 H new ATOM 0 HG21 VAL A 64 0.702 -3.254 -2.807 1.00 52.11 H new ATOM 0 HG22 VAL A 64 1.277 -3.469 -1.136 1.00 52.11 H new ATOM 0 HG23 VAL A 64 2.297 -2.626 -2.326 1.00 52.11 H new ATOM 1039 N GLU A 65 5.253 -4.026 -3.018 1.00 1.23 N ATOM 1040 CA GLU A 65 6.292 -3.038 -3.324 1.00 1.00 C ATOM 1041 C GLU A 65 5.773 -1.983 -4.308 1.00 41.51 C ATOM 1042 O GLU A 65 5.610 -2.255 -5.498 1.00 21.53 O ATOM 1043 CB GLU A 65 7.529 -3.732 -3.909 1.00 32.13 C ATOM 1044 CG GLU A 65 8.682 -2.780 -4.209 1.00 10.33 C ATOM 1045 CD GLU A 65 9.848 -3.466 -4.905 1.00 72.11 C ATOM 1046 OE1 GLU A 65 10.739 -3.994 -4.210 1.00 40.11 O ATOM 1047 OE2 GLU A 65 9.885 -3.468 -6.155 1.00 42.40 O ATOM 0 H GLU A 65 5.159 -4.766 -3.713 1.00 1.23 H new ATOM 0 HA GLU A 65 6.567 -2.538 -2.395 1.00 1.00 H new ATOM 0 HB2 GLU A 65 7.872 -4.494 -3.209 1.00 32.13 H new ATOM 0 HB3 GLU A 65 7.246 -4.246 -4.827 1.00 32.13 H new ATOM 0 HG2 GLU A 65 8.320 -1.964 -4.835 1.00 10.33 H new ATOM 0 HG3 GLU A 65 9.032 -2.335 -3.277 1.00 10.33 H new ATOM 1054 N THR A 66 5.508 -0.782 -3.806 1.00 61.34 N ATOM 1055 CA THR A 66 5.004 0.320 -4.639 1.00 72.42 C ATOM 1056 C THR A 66 6.105 1.335 -4.956 1.00 22.15 C ATOM 1057 O THR A 66 7.192 1.286 -4.383 1.00 4.31 O ATOM 1058 CB THR A 66 3.847 1.071 -3.947 1.00 45.11 C ATOM 1059 OG1 THR A 66 4.340 1.768 -2.790 1.00 20.30 O ATOM 1060 CG2 THR A 66 2.738 0.108 -3.533 1.00 11.50 C ATOM 0 H THR A 66 5.632 -0.540 -2.823 1.00 61.34 H new ATOM 0 HA THR A 66 4.647 -0.137 -5.562 1.00 72.42 H new ATOM 0 HB THR A 66 3.433 1.787 -4.657 1.00 45.11 H new ATOM 0 HG1 THR A 66 4.886 1.160 -2.250 1.00 20.30 H new ATOM 0 HG21 THR A 66 1.936 0.664 -3.048 1.00 11.50 H new ATOM 0 HG22 THR A 66 2.347 -0.398 -4.416 1.00 11.50 H new ATOM 0 HG23 THR A 66 3.138 -0.631 -2.839 1.00 11.50 H new ATOM 1068 N ASN A 67 5.806 2.269 -5.859 1.00 64.15 N ATOM 1069 CA ASN A 67 6.748 3.327 -6.239 1.00 4.22 C ATOM 1070 C ASN A 67 7.189 4.154 -5.018 1.00 40.43 C ATOM 1071 O ASN A 67 8.306 4.675 -4.977 1.00 73.35 O ATOM 1072 CB ASN A 67 6.114 4.240 -7.296 1.00 50.54 C ATOM 1073 CG ASN A 67 4.817 4.872 -6.823 1.00 51.14 C ATOM 1074 OD1 ASN A 67 4.096 4.309 -6.007 1.00 31.02 O ATOM 1075 ND2 ASN A 67 4.504 6.044 -7.331 1.00 45.13 N ATOM 0 H ASN A 67 4.911 2.316 -6.346 1.00 64.15 H new ATOM 0 HA ASN A 67 7.635 2.853 -6.658 1.00 4.22 H new ATOM 0 HB2 ASN A 67 6.821 5.026 -7.562 1.00 50.54 H new ATOM 0 HB3 ASN A 67 5.923 3.663 -8.201 1.00 50.54 H new ATOM 0 HD21 ASN A 67 3.641 6.509 -7.048 1.00 45.13 H new ATOM 0 HD22 ASN A 67 5.124 6.488 -8.008 1.00 45.13 H new ATOM 1082 N LEU A 68 6.299 4.279 -4.033 1.00 42.15 N ATOM 1083 CA LEU A 68 6.622 4.970 -2.777 1.00 13.14 C ATOM 1084 C LEU A 68 7.461 4.074 -1.856 1.00 60.31 C ATOM 1085 O LEU A 68 8.367 4.545 -1.163 1.00 71.42 O ATOM 1086 CB LEU A 68 5.337 5.395 -2.051 1.00 53.54 C ATOM 1087 CG LEU A 68 4.410 6.337 -2.835 1.00 73.33 C ATOM 1088 CD1 LEU A 68 3.181 6.694 -2.007 1.00 35.32 C ATOM 1089 CD2 LEU A 68 5.153 7.600 -3.271 1.00 32.13 C ATOM 0 H LEU A 68 5.348 3.912 -4.077 1.00 42.15 H new ATOM 0 HA LEU A 68 7.204 5.857 -3.026 1.00 13.14 H new ATOM 0 HB2 LEU A 68 4.776 4.498 -1.789 1.00 53.54 H new ATOM 0 HB3 LEU A 68 5.614 5.882 -1.116 1.00 53.54 H new ATOM 0 HG LEU A 68 4.079 5.814 -3.733 1.00 73.33 H new ATOM 0 HD11 LEU A 68 2.538 7.362 -2.580 1.00 35.32 H new ATOM 0 HD12 LEU A 68 2.632 5.785 -1.760 1.00 35.32 H new ATOM 0 HD13 LEU A 68 3.493 7.191 -1.088 1.00 35.32 H new ATOM 0 HD21 LEU A 68 4.474 8.249 -3.824 1.00 32.13 H new ATOM 0 HD22 LEU A 68 5.523 8.127 -2.391 1.00 32.13 H new ATOM 0 HD23 LEU A 68 5.993 7.326 -3.909 1.00 32.13 H new ATOM 1101 N GLY A 69 7.162 2.778 -1.860 1.00 14.15 N ATOM 1102 CA GLY A 69 7.862 1.837 -0.993 1.00 4.22 C ATOM 1103 C GLY A 69 6.983 0.667 -0.563 1.00 14.04 C ATOM 1104 O GLY A 69 6.069 0.272 -1.284 1.00 11.43 O ATOM 0 H GLY A 69 6.444 2.358 -2.450 1.00 14.15 H new ATOM 0 HA2 GLY A 69 8.740 1.454 -1.513 1.00 4.22 H new ATOM 0 HA3 GLY A 69 8.220 2.362 -0.107 1.00 4.22 H new ATOM 1108 N ASN A 70 7.255 0.114 0.615 1.00 32.11 N ATOM 1109 CA ASN A 70 6.505 -1.041 1.121 1.00 45.40 C ATOM 1110 C ASN A 70 5.116 -0.624 1.636 1.00 61.13 C ATOM 1111 O ASN A 70 4.990 0.302 2.434 1.00 44.15 O ATOM 1112 CB ASN A 70 7.298 -1.728 2.239 1.00 4.21 C ATOM 1113 CG ASN A 70 8.683 -2.169 1.796 1.00 53.31 C ATOM 1114 OD1 ASN A 70 9.625 -2.166 2.579 1.00 33.43 O ATOM 1115 ND2 ASN A 70 8.824 -2.556 0.541 1.00 50.42 N ATOM 0 H ASN A 70 7.989 0.444 1.241 1.00 32.11 H new ATOM 0 HA ASN A 70 6.361 -1.740 0.297 1.00 45.40 H new ATOM 0 HB2 ASN A 70 7.392 -1.045 3.083 1.00 4.21 H new ATOM 0 HB3 ASN A 70 6.741 -2.596 2.592 1.00 4.21 H new ATOM 0 HD21 ASN A 70 9.735 -2.863 0.201 1.00 50.42 H new ATOM 0 HD22 ASN A 70 8.021 -2.548 -0.088 1.00 50.42 H new ATOM 1122 N VAL A 71 4.078 -1.311 1.168 1.00 74.11 N ATOM 1123 CA VAL A 71 2.700 -1.018 1.580 1.00 51.44 C ATOM 1124 C VAL A 71 1.973 -2.292 2.046 1.00 24.53 C ATOM 1125 O VAL A 71 1.938 -3.290 1.331 1.00 11.23 O ATOM 1126 CB VAL A 71 1.900 -0.361 0.427 1.00 10.44 C ATOM 1127 CG1 VAL A 71 0.449 -0.103 0.839 1.00 5.12 C ATOM 1128 CG2 VAL A 71 2.572 0.934 -0.027 1.00 32.12 C ATOM 0 H VAL A 71 4.161 -2.078 0.501 1.00 74.11 H new ATOM 0 HA VAL A 71 2.758 -0.320 2.415 1.00 51.44 H new ATOM 0 HB VAL A 71 1.891 -1.056 -0.413 1.00 10.44 H new ATOM 0 HG11 VAL A 71 -0.088 0.358 0.010 1.00 5.12 H new ATOM 0 HG12 VAL A 71 -0.029 -1.047 1.100 1.00 5.12 H new ATOM 0 HG13 VAL A 71 0.429 0.564 1.701 1.00 5.12 H new ATOM 0 HG21 VAL A 71 1.994 1.379 -0.837 1.00 32.12 H new ATOM 0 HG22 VAL A 71 2.621 1.631 0.809 1.00 32.12 H new ATOM 0 HG23 VAL A 71 3.581 0.717 -0.378 1.00 32.12 H new ATOM 1138 N ARG A 72 1.399 -2.255 3.246 1.00 15.03 N ATOM 1139 CA ARG A 72 0.699 -3.420 3.810 1.00 51.44 C ATOM 1140 C ARG A 72 -0.816 -3.346 3.554 1.00 34.14 C ATOM 1141 O ARG A 72 -1.479 -2.404 3.985 1.00 32.13 O ATOM 1142 CB ARG A 72 0.977 -3.522 5.318 1.00 50.24 C ATOM 1143 CG ARG A 72 0.414 -4.781 5.973 1.00 2.53 C ATOM 1144 CD ARG A 72 0.841 -4.902 7.435 1.00 53.20 C ATOM 1145 NE ARG A 72 2.283 -5.130 7.581 1.00 72.54 N ATOM 1146 CZ ARG A 72 2.937 -4.984 8.708 1.00 23.04 C ATOM 1147 NH1 ARG A 72 2.331 -4.559 9.773 1.00 65.53 N ATOM 1148 NH2 ARG A 72 4.204 -5.257 8.769 1.00 0.33 N ATOM 0 H ARG A 72 1.402 -1.434 3.851 1.00 15.03 H new ATOM 0 HA ARG A 72 1.078 -4.313 3.312 1.00 51.44 H new ATOM 0 HB2 ARG A 72 2.054 -3.492 5.481 1.00 50.24 H new ATOM 0 HB3 ARG A 72 0.555 -2.648 5.814 1.00 50.24 H new ATOM 0 HG2 ARG A 72 -0.674 -4.766 5.913 1.00 2.53 H new ATOM 0 HG3 ARG A 72 0.752 -5.659 5.422 1.00 2.53 H new ATOM 0 HD2 ARG A 72 0.564 -3.992 7.968 1.00 53.20 H new ATOM 0 HD3 ARG A 72 0.297 -5.723 7.902 1.00 53.20 H new ATOM 0 HE ARG A 72 2.808 -5.420 6.756 1.00 72.54 H new ATOM 0 HH11 ARG A 72 1.337 -4.335 9.739 1.00 65.53 H new ATOM 0 HH12 ARG A 72 2.849 -4.449 10.645 1.00 65.53 H new ATOM 0 HH21 ARG A 72 4.695 -5.587 7.938 1.00 0.33 H new ATOM 0 HH22 ARG A 72 4.709 -5.142 9.648 1.00 0.33 H new ATOM 1162 N VAL A 73 -1.352 -4.350 2.859 1.00 62.05 N ATOM 1163 CA VAL A 73 -2.779 -4.385 2.502 1.00 51.21 C ATOM 1164 C VAL A 73 -3.684 -4.498 3.745 1.00 12.13 C ATOM 1165 O VAL A 73 -3.440 -5.324 4.627 1.00 15.34 O ATOM 1166 CB VAL A 73 -3.092 -5.576 1.562 1.00 4.03 C ATOM 1167 CG1 VAL A 73 -4.529 -5.505 1.056 1.00 21.40 C ATOM 1168 CG2 VAL A 73 -2.108 -5.630 0.395 1.00 14.42 C ATOM 0 H VAL A 73 -0.820 -5.155 2.529 1.00 62.05 H new ATOM 0 HA VAL A 73 -2.987 -3.444 1.993 1.00 51.21 H new ATOM 0 HB VAL A 73 -2.979 -6.495 2.138 1.00 4.03 H new ATOM 0 HG11 VAL A 73 -4.725 -6.352 0.398 1.00 21.40 H new ATOM 0 HG12 VAL A 73 -5.215 -5.537 1.903 1.00 21.40 H new ATOM 0 HG13 VAL A 73 -4.675 -4.576 0.505 1.00 21.40 H new ATOM 0 HG21 VAL A 73 -2.352 -6.476 -0.248 1.00 14.42 H new ATOM 0 HG22 VAL A 73 -2.174 -4.706 -0.180 1.00 14.42 H new ATOM 0 HG23 VAL A 73 -1.094 -5.747 0.779 1.00 14.42 H new ATOM 1178 N THR A 74 -4.739 -3.680 3.795 1.00 32.13 N ATOM 1179 CA THR A 74 -5.679 -3.680 4.932 1.00 15.23 C ATOM 1180 C THR A 74 -6.927 -4.531 4.655 1.00 25.30 C ATOM 1181 O THR A 74 -7.312 -5.366 5.472 1.00 22.31 O ATOM 1182 CB THR A 74 -6.137 -2.245 5.290 1.00 21.55 C ATOM 1183 OG1 THR A 74 -6.809 -1.651 4.170 1.00 71.31 O ATOM 1184 CG2 THR A 74 -4.949 -1.372 5.693 1.00 31.31 C ATOM 0 H THR A 74 -4.968 -3.007 3.064 1.00 32.13 H new ATOM 0 HA THR A 74 -5.131 -4.113 5.769 1.00 15.23 H new ATOM 0 HB THR A 74 -6.821 -2.311 6.136 1.00 21.55 H new ATOM 0 HG1 THR A 74 -7.097 -0.744 4.405 1.00 71.31 H new ATOM 0 HG21 THR A 74 -5.301 -0.370 5.939 1.00 31.31 H new ATOM 0 HG22 THR A 74 -4.456 -1.807 6.562 1.00 31.31 H new ATOM 0 HG23 THR A 74 -4.242 -1.315 4.865 1.00 31.31 H new ATOM 1192 N SER A 75 -7.566 -4.308 3.509 1.00 71.14 N ATOM 1193 CA SER A 75 -8.788 -5.046 3.135 1.00 12.14 C ATOM 1194 C SER A 75 -8.513 -6.116 2.063 1.00 54.43 C ATOM 1195 O SER A 75 -7.364 -6.435 1.770 1.00 72.31 O ATOM 1196 CB SER A 75 -9.859 -4.065 2.627 1.00 63.11 C ATOM 1197 OG SER A 75 -10.276 -3.170 3.654 1.00 62.11 O ATOM 0 H SER A 75 -7.264 -3.623 2.817 1.00 71.14 H new ATOM 0 HA SER A 75 -9.147 -5.557 4.028 1.00 12.14 H new ATOM 0 HB2 SER A 75 -9.463 -3.496 1.786 1.00 63.11 H new ATOM 0 HB3 SER A 75 -10.719 -4.623 2.258 1.00 63.11 H new ATOM 0 HG SER A 75 -10.955 -2.559 3.299 1.00 62.11 H new ATOM 1203 N ARG A 76 -9.579 -6.693 1.500 1.00 54.44 N ATOM 1204 CA ARG A 76 -9.445 -7.669 0.406 1.00 71.24 C ATOM 1205 C ARG A 76 -9.281 -6.962 -0.951 1.00 73.22 C ATOM 1206 O ARG A 76 -10.228 -6.354 -1.461 1.00 52.22 O ATOM 1207 CB ARG A 76 -10.658 -8.617 0.355 1.00 73.34 C ATOM 1208 CG ARG A 76 -10.604 -9.777 1.353 1.00 52.44 C ATOM 1209 CD ARG A 76 -10.632 -9.309 2.805 1.00 64.42 C ATOM 1210 NE ARG A 76 -11.845 -8.560 3.119 1.00 44.13 N ATOM 1211 CZ ARG A 76 -12.223 -8.248 4.326 1.00 22.12 C ATOM 1212 NH1 ARG A 76 -11.553 -8.658 5.355 1.00 23.34 N ATOM 1213 NH2 ARG A 76 -13.294 -7.550 4.497 1.00 4.15 N ATOM 0 H ARG A 76 -10.542 -6.505 1.780 1.00 54.44 H new ATOM 0 HA ARG A 76 -8.549 -8.257 0.605 1.00 71.24 H new ATOM 0 HB2 ARG A 76 -11.563 -8.038 0.540 1.00 73.34 H new ATOM 0 HB3 ARG A 76 -10.741 -9.025 -0.652 1.00 73.34 H new ATOM 0 HG2 ARG A 76 -11.448 -10.444 1.174 1.00 52.44 H new ATOM 0 HG3 ARG A 76 -9.697 -10.357 1.180 1.00 52.44 H new ATOM 0 HD2 ARG A 76 -10.559 -10.173 3.465 1.00 64.42 H new ATOM 0 HD3 ARG A 76 -9.760 -8.684 3.001 1.00 64.42 H new ATOM 0 HE ARG A 76 -12.435 -8.261 2.343 1.00 44.13 H new ATOM 0 HH11 ARG A 76 -10.720 -9.232 5.225 1.00 23.34 H new ATOM 0 HH12 ARG A 76 -11.858 -8.407 6.295 1.00 23.34 H new ATOM 0 HH21 ARG A 76 -13.839 -7.246 3.690 1.00 4.15 H new ATOM 0 HH22 ARG A 76 -13.596 -7.302 5.439 1.00 4.15 H new ATOM 1227 N PRO A 77 -8.080 -7.042 -1.560 1.00 20.34 N ATOM 1228 CA PRO A 77 -7.779 -6.349 -2.826 1.00 1.15 C ATOM 1229 C PRO A 77 -8.689 -6.778 -3.984 1.00 44.13 C ATOM 1230 O PRO A 77 -8.544 -7.875 -4.534 1.00 53.41 O ATOM 1231 CB PRO A 77 -6.325 -6.742 -3.122 1.00 10.50 C ATOM 1232 CG PRO A 77 -5.773 -7.180 -1.813 1.00 53.24 C ATOM 1233 CD PRO A 77 -6.919 -7.809 -1.073 1.00 21.30 C ATOM 0 HA PRO A 77 -7.939 -5.275 -2.731 1.00 1.15 H new ATOM 0 HB2 PRO A 77 -6.275 -7.543 -3.860 1.00 10.50 H new ATOM 0 HB3 PRO A 77 -5.763 -5.900 -3.526 1.00 10.50 H new ATOM 0 HG2 PRO A 77 -4.959 -7.892 -1.951 1.00 53.24 H new ATOM 0 HG3 PRO A 77 -5.366 -6.335 -1.258 1.00 53.24 H new ATOM 0 HD2 PRO A 77 -7.012 -8.871 -1.299 1.00 21.30 H new ATOM 0 HD3 PRO A 77 -6.800 -7.722 0.007 1.00 21.30 H new ATOM 1241 N GLY A 78 -9.628 -5.911 -4.346 1.00 5.14 N ATOM 1242 CA GLY A 78 -10.537 -6.207 -5.445 1.00 71.24 C ATOM 1243 C GLY A 78 -11.936 -5.654 -5.215 1.00 73.22 C ATOM 1244 O GLY A 78 -12.620 -5.249 -6.160 1.00 73.13 O ATOM 0 H GLY A 78 -9.778 -5.006 -3.899 1.00 5.14 H new ATOM 0 HA2 GLY A 78 -10.133 -5.790 -6.368 1.00 71.24 H new ATOM 0 HA3 GLY A 78 -10.596 -7.287 -5.582 1.00 71.24 H new ATOM 1248 N GLN A 79 -12.357 -5.631 -3.953 1.00 51.12 N ATOM 1249 CA GLN A 79 -13.684 -5.127 -3.588 1.00 34.11 C ATOM 1250 C GLN A 79 -13.853 -3.655 -3.991 1.00 61.52 C ATOM 1251 O GLN A 79 -12.970 -2.829 -3.751 1.00 51.11 O ATOM 1252 CB GLN A 79 -13.920 -5.304 -2.083 1.00 13.35 C ATOM 1253 CG GLN A 79 -13.892 -6.760 -1.626 1.00 43.02 C ATOM 1254 CD GLN A 79 -14.961 -7.609 -2.295 1.00 14.33 C ATOM 1255 OE1 GLN A 79 -16.034 -7.127 -2.644 1.00 21.40 O ATOM 1256 NE2 GLN A 79 -14.679 -8.883 -2.473 1.00 31.03 N ATOM 0 H GLN A 79 -11.800 -5.955 -3.163 1.00 51.12 H new ATOM 0 HA GLN A 79 -14.429 -5.707 -4.133 1.00 34.11 H new ATOM 0 HB2 GLN A 79 -13.160 -4.746 -1.537 1.00 13.35 H new ATOM 0 HB3 GLN A 79 -14.884 -4.869 -1.821 1.00 13.35 H new ATOM 0 HG2 GLN A 79 -12.911 -7.184 -1.840 1.00 43.02 H new ATOM 0 HG3 GLN A 79 -14.027 -6.799 -0.545 1.00 43.02 H new ATOM 0 HE21 GLN A 79 -13.777 -9.253 -2.172 1.00 31.03 H new ATOM 0 HE22 GLN A 79 -15.362 -9.500 -2.912 1.00 31.03 H new ATOM 1265 N ASP A 80 -14.985 -3.349 -4.628 1.00 72.45 N ATOM 1266 CA ASP A 80 -15.280 -1.997 -5.129 1.00 15.33 C ATOM 1267 C ASP A 80 -14.242 -1.530 -6.172 1.00 32.51 C ATOM 1268 O ASP A 80 -14.233 -0.368 -6.584 1.00 52.24 O ATOM 1269 CB ASP A 80 -15.354 -1.001 -3.962 1.00 14.11 C ATOM 1270 CG ASP A 80 -16.265 -1.492 -2.852 1.00 12.33 C ATOM 1271 OD1 ASP A 80 -17.454 -1.764 -3.129 1.00 61.30 O ATOM 1272 OD2 ASP A 80 -15.794 -1.634 -1.704 1.00 25.24 O ATOM 0 H ASP A 80 -15.724 -4.027 -4.813 1.00 72.45 H new ATOM 0 HA ASP A 80 -16.249 -2.035 -5.628 1.00 15.33 H new ATOM 0 HB2 ASP A 80 -14.353 -0.835 -3.563 1.00 14.11 H new ATOM 0 HB3 ASP A 80 -15.714 -0.040 -4.328 1.00 14.11 H new ATOM 1277 N GLY A 81 -13.377 -2.450 -6.601 1.00 32.42 N ATOM 1278 CA GLY A 81 -12.336 -2.118 -7.564 1.00 63.33 C ATOM 1279 C GLY A 81 -11.111 -1.455 -6.936 1.00 24.43 C ATOM 1280 O GLY A 81 -10.141 -1.156 -7.631 1.00 54.43 O ATOM 0 H GLY A 81 -13.379 -3.424 -6.297 1.00 32.42 H new ATOM 0 HA2 GLY A 81 -12.024 -3.028 -8.077 1.00 63.33 H new ATOM 0 HA3 GLY A 81 -12.751 -1.452 -8.320 1.00 63.33 H new ATOM 1284 N VAL A 82 -11.137 -1.243 -5.621 1.00 34.34 N ATOM 1285 CA VAL A 82 -10.065 -0.506 -4.938 1.00 13.15 C ATOM 1286 C VAL A 82 -9.282 -1.388 -3.946 1.00 1.51 C ATOM 1287 O VAL A 82 -9.838 -2.290 -3.313 1.00 53.33 O ATOM 1288 CB VAL A 82 -10.637 0.731 -4.193 1.00 73.33 C ATOM 1289 CG1 VAL A 82 -11.636 0.307 -3.114 1.00 14.21 C ATOM 1290 CG2 VAL A 82 -9.514 1.584 -3.602 1.00 33.54 C ATOM 0 H VAL A 82 -11.883 -1.568 -5.006 1.00 34.34 H new ATOM 0 HA VAL A 82 -9.371 -0.180 -5.713 1.00 13.15 H new ATOM 0 HB VAL A 82 -11.171 1.343 -4.920 1.00 73.33 H new ATOM 0 HG11 VAL A 82 -12.022 1.192 -2.607 1.00 14.21 H new ATOM 0 HG12 VAL A 82 -12.461 -0.236 -3.575 1.00 14.21 H new ATOM 0 HG13 VAL A 82 -11.138 -0.337 -2.390 1.00 14.21 H new ATOM 0 HG21 VAL A 82 -9.943 2.443 -3.086 1.00 33.54 H new ATOM 0 HG22 VAL A 82 -8.937 0.987 -2.895 1.00 33.54 H new ATOM 0 HG23 VAL A 82 -8.860 1.930 -4.403 1.00 33.54 H new ATOM 1300 N ILE A 83 -7.976 -1.136 -3.841 1.00 4.31 N ATOM 1301 CA ILE A 83 -7.121 -1.815 -2.860 1.00 72.35 C ATOM 1302 C ILE A 83 -6.619 -0.813 -1.807 1.00 22.23 C ATOM 1303 O ILE A 83 -6.043 0.221 -2.152 1.00 35.22 O ATOM 1304 CB ILE A 83 -5.891 -2.509 -3.523 1.00 60.51 C ATOM 1305 CG1 ILE A 83 -6.320 -3.514 -4.612 1.00 74.14 C ATOM 1306 CG2 ILE A 83 -5.039 -3.211 -2.463 1.00 32.33 C ATOM 1307 CD1 ILE A 83 -6.722 -2.880 -5.928 1.00 43.24 C ATOM 0 H ILE A 83 -7.483 -0.462 -4.427 1.00 4.31 H new ATOM 0 HA ILE A 83 -7.733 -2.585 -2.390 1.00 72.35 H new ATOM 0 HB ILE A 83 -5.296 -1.732 -4.004 1.00 60.51 H new ATOM 0 HG12 ILE A 83 -5.498 -4.207 -4.793 1.00 74.14 H new ATOM 0 HG13 ILE A 83 -7.157 -4.103 -4.236 1.00 74.14 H new ATOM 0 HG21 ILE A 83 -4.185 -3.690 -2.942 1.00 32.33 H new ATOM 0 HG22 ILE A 83 -4.685 -2.479 -1.737 1.00 32.33 H new ATOM 0 HG23 ILE A 83 -5.640 -3.965 -1.954 1.00 32.33 H new ATOM 0 HD11 ILE A 83 -7.008 -3.659 -6.635 1.00 43.24 H new ATOM 0 HD12 ILE A 83 -7.566 -2.209 -5.766 1.00 43.24 H new ATOM 0 HD13 ILE A 83 -5.882 -2.315 -6.331 1.00 43.24 H new ATOM 1319 N ASN A 84 -6.856 -1.112 -0.531 1.00 64.02 N ATOM 1320 CA ASN A 84 -6.399 -0.255 0.575 1.00 71.31 C ATOM 1321 C ASN A 84 -5.141 -0.827 1.262 1.00 42.35 C ATOM 1322 O ASN A 84 -5.002 -2.042 1.415 1.00 74.25 O ATOM 1323 CB ASN A 84 -7.529 -0.087 1.600 1.00 13.23 C ATOM 1324 CG ASN A 84 -8.668 0.785 1.094 1.00 43.43 C ATOM 1325 OD1 ASN A 84 -8.894 0.920 -0.105 1.00 10.45 O ATOM 1326 ND2 ASN A 84 -9.406 1.377 2.013 1.00 52.23 N ATOM 0 H ASN A 84 -7.364 -1.944 -0.231 1.00 64.02 H new ATOM 0 HA ASN A 84 -6.132 0.716 0.159 1.00 71.31 H new ATOM 0 HB2 ASN A 84 -7.921 -1.069 1.864 1.00 13.23 H new ATOM 0 HB3 ASN A 84 -7.122 0.350 2.512 1.00 13.23 H new ATOM 0 HD21 ASN A 84 -10.190 1.967 1.735 1.00 52.23 H new ATOM 0 HD22 ASN A 84 -9.192 1.245 3.002 1.00 52.23 H new ATOM 1333 N GLY A 85 -4.230 0.059 1.675 1.00 34.54 N ATOM 1334 CA GLY A 85 -3.009 -0.369 2.357 1.00 54.32 C ATOM 1335 C GLY A 85 -2.343 0.745 3.171 1.00 63.12 C ATOM 1336 O GLY A 85 -2.771 1.896 3.119 1.00 1.21 O ATOM 0 H GLY A 85 -4.315 1.068 1.550 1.00 34.54 H new ATOM 0 HA2 GLY A 85 -3.245 -1.201 3.020 1.00 54.32 H new ATOM 0 HA3 GLY A 85 -2.300 -0.741 1.617 1.00 54.32 H new ATOM 1340 N VAL A 86 -1.292 0.402 3.923 1.00 5.14 N ATOM 1341 CA VAL A 86 -0.573 1.380 4.763 1.00 54.15 C ATOM 1342 C VAL A 86 0.883 1.570 4.291 1.00 22.32 C ATOM 1343 O VAL A 86 1.561 0.602 3.947 1.00 53.22 O ATOM 1344 CB VAL A 86 -0.552 0.947 6.256 1.00 4.15 C ATOM 1345 CG1 VAL A 86 -0.060 2.086 7.149 1.00 4.54 C ATOM 1346 CG2 VAL A 86 -1.926 0.446 6.704 1.00 43.53 C ATOM 0 H VAL A 86 -0.916 -0.545 3.971 1.00 5.14 H new ATOM 0 HA VAL A 86 -1.114 2.321 4.665 1.00 54.15 H new ATOM 0 HB VAL A 86 0.150 0.119 6.355 1.00 4.15 H new ATOM 0 HG11 VAL A 86 -0.055 1.757 8.188 1.00 4.54 H new ATOM 0 HG12 VAL A 86 0.950 2.370 6.853 1.00 4.54 H new ATOM 0 HG13 VAL A 86 -0.724 2.944 7.043 1.00 4.54 H new ATOM 0 HG21 VAL A 86 -1.881 0.150 7.752 1.00 43.53 H new ATOM 0 HG22 VAL A 86 -2.661 1.242 6.583 1.00 43.53 H new ATOM 0 HG23 VAL A 86 -2.216 -0.411 6.097 1.00 43.53 H new ATOM 1356 N LEU A 87 1.362 2.818 4.291 1.00 75.33 N ATOM 1357 CA LEU A 87 2.737 3.127 3.867 1.00 11.43 C ATOM 1358 C LEU A 87 3.752 2.812 4.980 1.00 54.31 C ATOM 1359 O LEU A 87 3.845 3.537 5.970 1.00 31.03 O ATOM 1360 CB LEU A 87 2.850 4.608 3.469 1.00 15.35 C ATOM 1361 CG LEU A 87 4.220 5.044 2.923 1.00 31.13 C ATOM 1362 CD1 LEU A 87 4.580 4.258 1.662 1.00 62.30 C ATOM 1363 CD2 LEU A 87 4.235 6.547 2.652 1.00 5.41 C ATOM 0 H LEU A 87 0.820 3.633 4.579 1.00 75.33 H new ATOM 0 HA LEU A 87 2.967 2.499 3.006 1.00 11.43 H new ATOM 0 HB2 LEU A 87 2.093 4.822 2.715 1.00 15.35 H new ATOM 0 HB3 LEU A 87 2.614 5.219 4.340 1.00 15.35 H new ATOM 0 HG LEU A 87 4.974 4.826 3.679 1.00 31.13 H new ATOM 0 HD11 LEU A 87 5.553 4.585 1.295 1.00 62.30 H new ATOM 0 HD12 LEU A 87 4.619 3.194 1.895 1.00 62.30 H new ATOM 0 HD13 LEU A 87 3.825 4.434 0.895 1.00 62.30 H new ATOM 0 HD21 LEU A 87 5.212 6.837 2.266 1.00 5.41 H new ATOM 0 HD22 LEU A 87 3.468 6.792 1.918 1.00 5.41 H new ATOM 0 HD23 LEU A 87 4.036 7.086 3.578 1.00 5.41 H new ATOM 1375 N ILE A 88 4.521 1.740 4.811 1.00 64.20 N ATOM 1376 CA ILE A 88 5.489 1.309 5.831 1.00 41.30 C ATOM 1377 C ILE A 88 6.858 0.975 5.214 1.00 23.44 C ATOM 1378 O ILE A 88 7.113 1.245 4.036 1.00 53.01 O ATOM 1379 CB ILE A 88 4.969 0.067 6.604 1.00 64.53 C ATOM 1380 CG1 ILE A 88 4.807 -1.131 5.652 1.00 13.43 C ATOM 1381 CG2 ILE A 88 3.651 0.384 7.312 1.00 4.15 C ATOM 1382 CD1 ILE A 88 4.273 -2.376 6.324 1.00 61.15 C ATOM 0 H ILE A 88 4.497 1.150 3.979 1.00 64.20 H new ATOM 0 HA ILE A 88 5.608 2.145 6.520 1.00 41.30 H new ATOM 0 HB ILE A 88 5.704 -0.199 7.364 1.00 64.53 H new ATOM 0 HG12 ILE A 88 4.135 -0.850 4.841 1.00 13.43 H new ATOM 0 HG13 ILE A 88 5.773 -1.358 5.201 1.00 13.43 H new ATOM 0 HG21 ILE A 88 3.304 -0.500 7.848 1.00 4.15 H new ATOM 0 HG22 ILE A 88 3.805 1.200 8.019 1.00 4.15 H new ATOM 0 HG23 ILE A 88 2.904 0.678 6.575 1.00 4.15 H new ATOM 0 HD11 ILE A 88 4.186 -3.177 5.590 1.00 61.15 H new ATOM 0 HD12 ILE A 88 4.955 -2.683 7.117 1.00 61.15 H new ATOM 0 HD13 ILE A 88 3.292 -2.167 6.751 1.00 61.15 H new ATOM 1394 N ARG A 89 7.744 0.404 6.030 1.00 2.11 N ATOM 1395 CA ARG A 89 9.061 -0.052 5.573 1.00 4.10 C ATOM 1396 C ARG A 89 9.412 -1.418 6.182 1.00 14.43 C ATOM 1397 O ARG A 89 9.702 -1.523 7.374 1.00 25.13 O ATOM 1398 CB ARG A 89 10.159 0.969 5.920 1.00 24.04 C ATOM 1399 CG ARG A 89 10.097 2.260 5.109 1.00 51.00 C ATOM 1400 CD ARG A 89 10.174 1.991 3.609 1.00 13.20 C ATOM 1401 NE ARG A 89 10.247 3.224 2.829 1.00 60.43 N ATOM 1402 CZ ARG A 89 9.236 3.773 2.212 1.00 44.02 C ATOM 1403 NH1 ARG A 89 8.032 3.309 2.353 1.00 61.35 N ATOM 1404 NH2 ARG A 89 9.432 4.812 1.474 1.00 25.04 N ATOM 0 H ARG A 89 7.572 0.244 7.023 1.00 2.11 H new ATOM 0 HA ARG A 89 9.010 -0.151 4.489 1.00 4.10 H new ATOM 0 HB2 ARG A 89 10.087 1.216 6.979 1.00 24.04 H new ATOM 0 HB3 ARG A 89 11.133 0.504 5.766 1.00 24.04 H new ATOM 0 HG2 ARG A 89 9.171 2.788 5.337 1.00 51.00 H new ATOM 0 HG3 ARG A 89 10.918 2.914 5.404 1.00 51.00 H new ATOM 0 HD2 ARG A 89 11.049 1.377 3.396 1.00 13.20 H new ATOM 0 HD3 ARG A 89 9.300 1.419 3.299 1.00 13.20 H new ATOM 0 HE ARG A 89 11.152 3.689 2.762 1.00 60.43 H new ATOM 0 HH11 ARG A 89 7.863 2.502 2.954 1.00 61.35 H new ATOM 0 HH12 ARG A 89 7.254 3.751 1.863 1.00 61.35 H new ATOM 0 HH21 ARG A 89 10.371 5.198 1.376 1.00 25.04 H new ATOM 0 HH22 ARG A 89 8.648 5.248 0.988 1.00 25.04 H new ATOM 1418 N GLU A 90 9.367 -2.458 5.354 1.00 31.21 N ATOM 1419 CA GLU A 90 9.693 -3.822 5.789 1.00 2.31 C ATOM 1420 C GLU A 90 11.097 -4.235 5.311 1.00 23.23 C ATOM 1421 O GLU A 90 11.698 -5.167 5.846 1.00 61.15 O ATOM 1422 CB GLU A 90 8.645 -4.807 5.247 1.00 43.21 C ATOM 1423 CG GLU A 90 7.216 -4.519 5.706 1.00 23.42 C ATOM 1424 CD GLU A 90 6.988 -4.779 7.194 1.00 5.02 C ATOM 1425 OE1 GLU A 90 6.751 -5.949 7.566 1.00 73.53 O ATOM 1426 OE2 GLU A 90 7.025 -3.817 7.991 1.00 53.25 O ATOM 0 H GLU A 90 9.107 -2.386 4.370 1.00 31.21 H new ATOM 0 HA GLU A 90 9.684 -3.845 6.879 1.00 2.31 H new ATOM 0 HB2 GLU A 90 8.675 -4.789 4.158 1.00 43.21 H new ATOM 0 HB3 GLU A 90 8.917 -5.816 5.556 1.00 43.21 H new ATOM 0 HG2 GLU A 90 6.975 -3.479 5.486 1.00 23.42 H new ATOM 0 HG3 GLU A 90 6.527 -5.135 5.128 1.00 23.42 H new ATOM 1433 N LEU A 91 11.607 -3.538 4.296 1.00 21.24 N ATOM 1434 CA LEU A 91 12.928 -3.836 3.729 1.00 50.43 C ATOM 1435 C LEU A 91 14.024 -2.923 4.317 1.00 64.11 C ATOM 1436 O LEU A 91 13.768 -2.116 5.214 1.00 41.13 O ATOM 1437 CB LEU A 91 12.879 -3.700 2.199 1.00 2.41 C ATOM 1438 CG LEU A 91 11.905 -4.654 1.482 1.00 13.53 C ATOM 1439 CD1 LEU A 91 11.908 -4.404 -0.024 1.00 74.41 C ATOM 1440 CD2 LEU A 91 12.254 -6.111 1.788 1.00 32.44 C ATOM 0 H LEU A 91 11.125 -2.760 3.846 1.00 21.24 H new ATOM 0 HA LEU A 91 13.185 -4.862 3.994 1.00 50.43 H new ATOM 0 HB2 LEU A 91 12.605 -2.675 1.951 1.00 2.41 H new ATOM 0 HB3 LEU A 91 13.881 -3.867 1.804 1.00 2.41 H new ATOM 0 HG LEU A 91 10.900 -4.456 1.856 1.00 13.53 H new ATOM 0 HD11 LEU A 91 11.213 -5.090 -0.508 1.00 74.41 H new ATOM 0 HD12 LEU A 91 11.602 -3.377 -0.223 1.00 74.41 H new ATOM 0 HD13 LEU A 91 12.911 -4.567 -0.418 1.00 74.41 H new ATOM 0 HD21 LEU A 91 11.554 -6.769 1.272 1.00 32.44 H new ATOM 0 HD22 LEU A 91 13.268 -6.321 1.448 1.00 32.44 H new ATOM 0 HD23 LEU A 91 12.189 -6.283 2.862 1.00 32.44 H new ATOM 1452 N GLU A 92 15.246 -3.064 3.801 1.00 41.40 N ATOM 1453 CA GLU A 92 16.402 -2.299 4.292 1.00 44.22 C ATOM 1454 C GLU A 92 16.230 -0.781 4.108 1.00 51.04 C ATOM 1455 O GLU A 92 15.682 -0.315 3.106 1.00 33.20 O ATOM 1456 CB GLU A 92 17.682 -2.745 3.564 1.00 43.24 C ATOM 1457 CG GLU A 92 18.925 -1.941 3.949 1.00 44.02 C ATOM 1458 CD GLU A 92 20.129 -2.246 3.071 1.00 35.21 C ATOM 1459 OE1 GLU A 92 20.730 -3.324 3.240 1.00 2.11 O ATOM 1460 OE2 GLU A 92 20.490 -1.394 2.227 1.00 70.15 O ATOM 0 H GLU A 92 15.465 -3.704 3.038 1.00 41.40 H new ATOM 0 HA GLU A 92 16.478 -2.502 5.360 1.00 44.22 H new ATOM 0 HB2 GLU A 92 17.862 -3.799 3.778 1.00 43.24 H new ATOM 0 HB3 GLU A 92 17.525 -2.660 2.489 1.00 43.24 H new ATOM 0 HG2 GLU A 92 18.696 -0.877 3.885 1.00 44.02 H new ATOM 0 HG3 GLU A 92 19.178 -2.151 4.988 1.00 44.02 H new ATOM 1467 N HIS A 93 16.716 -0.023 5.086 1.00 14.22 N ATOM 1468 CA HIS A 93 16.826 1.431 4.965 1.00 52.21 C ATOM 1469 C HIS A 93 18.199 1.792 4.377 1.00 45.35 C ATOM 1470 O HIS A 93 19.206 1.814 5.089 1.00 0.21 O ATOM 1471 CB HIS A 93 16.641 2.097 6.335 1.00 51.14 C ATOM 1472 CG HIS A 93 15.315 1.799 6.976 1.00 10.20 C ATOM 1473 ND1 HIS A 93 15.045 0.620 7.635 1.00 43.24 N ATOM 1474 CD2 HIS A 93 14.179 2.534 7.055 1.00 60.53 C ATOM 1475 CE1 HIS A 93 13.808 0.642 8.091 1.00 71.31 C ATOM 1476 NE2 HIS A 93 13.258 1.792 7.753 1.00 14.14 N ATOM 0 H HIS A 93 17.043 -0.393 5.979 1.00 14.22 H new ATOM 0 HA HIS A 93 16.043 1.795 4.300 1.00 52.21 H new ATOM 0 HB2 HIS A 93 17.439 1.767 7.000 1.00 51.14 H new ATOM 0 HB3 HIS A 93 16.746 3.176 6.222 1.00 51.14 H new ATOM 0 HD2 HIS A 93 14.026 3.521 6.645 1.00 60.53 H new ATOM 0 HE1 HIS A 93 13.326 -0.148 8.647 1.00 71.31 H new ATOM 0 HE2 HIS A 93 12.305 2.082 7.974 1.00 14.14 H new ATOM 1485 N HIS A 94 18.236 2.059 3.076 1.00 21.30 N ATOM 1486 CA HIS A 94 19.501 2.253 2.355 1.00 4.23 C ATOM 1487 C HIS A 94 20.283 3.469 2.879 1.00 74.10 C ATOM 1488 O HIS A 94 19.776 4.592 2.879 1.00 3.43 O ATOM 1489 CB HIS A 94 19.232 2.411 0.853 1.00 21.15 C ATOM 1490 CG HIS A 94 18.491 1.254 0.259 1.00 15.44 C ATOM 1491 ND1 HIS A 94 18.975 -0.034 0.279 1.00 53.20 N ATOM 1492 CD2 HIS A 94 17.294 1.192 -0.372 1.00 72.04 C ATOM 1493 CE1 HIS A 94 18.113 -0.837 -0.309 1.00 0.30 C ATOM 1494 NE2 HIS A 94 17.083 -0.120 -0.713 1.00 34.03 N ATOM 0 H HIS A 94 17.404 2.147 2.492 1.00 21.30 H new ATOM 0 HA HIS A 94 20.114 1.368 2.526 1.00 4.23 H new ATOM 0 HB2 HIS A 94 18.659 3.324 0.688 1.00 21.15 H new ATOM 0 HB3 HIS A 94 20.182 2.532 0.332 1.00 21.15 H new ATOM 0 HD1 HIS A 94 19.865 -0.322 0.687 1.00 53.20 H new ATOM 0 HD2 HIS A 94 16.630 2.020 -0.570 1.00 72.04 H new ATOM 0 HE1 HIS A 94 18.230 -1.903 -0.438 1.00 0.30 H new ATOM 1503 N HIS A 95 21.518 3.240 3.326 1.00 22.04 N ATOM 1504 CA HIS A 95 22.373 4.322 3.822 1.00 14.55 C ATOM 1505 C HIS A 95 23.864 4.023 3.581 1.00 14.23 C ATOM 1506 O HIS A 95 24.546 3.437 4.423 1.00 12.14 O ATOM 1507 CB HIS A 95 22.095 4.592 5.315 1.00 70.30 C ATOM 1508 CG HIS A 95 22.384 3.433 6.227 1.00 72.22 C ATOM 1509 ND1 HIS A 95 21.710 2.231 6.170 1.00 53.44 N ATOM 1510 CD2 HIS A 95 23.285 3.302 7.231 1.00 42.44 C ATOM 1511 CE1 HIS A 95 22.181 1.418 7.094 1.00 2.31 C ATOM 1512 NE2 HIS A 95 23.135 2.041 7.748 1.00 0.34 N ATOM 0 H HIS A 95 21.950 2.316 3.355 1.00 22.04 H new ATOM 0 HA HIS A 95 22.129 5.223 3.259 1.00 14.55 H new ATOM 0 HB2 HIS A 95 22.694 5.445 5.634 1.00 70.30 H new ATOM 0 HB3 HIS A 95 21.049 4.876 5.430 1.00 70.30 H new ATOM 0 HD1 HIS A 95 20.962 2.006 5.514 1.00 53.44 H new ATOM 0 HD2 HIS A 95 23.989 4.051 7.562 1.00 42.44 H new ATOM 0 HE1 HIS A 95 21.840 0.410 7.282 1.00 2.31 H new ATOM 1521 N HIS A 96 24.356 4.385 2.398 1.00 1.15 N ATOM 1522 CA HIS A 96 25.785 4.271 2.074 1.00 71.12 C ATOM 1523 C HIS A 96 26.470 5.642 2.183 1.00 44.40 C ATOM 1524 O HIS A 96 26.269 6.511 1.333 1.00 21.22 O ATOM 1525 CB HIS A 96 25.963 3.703 0.655 1.00 61.41 C ATOM 1526 CG HIS A 96 27.398 3.512 0.243 1.00 33.51 C ATOM 1527 ND1 HIS A 96 28.112 2.364 0.507 1.00 24.34 N ATOM 1528 CD2 HIS A 96 28.252 4.329 -0.427 1.00 33.02 C ATOM 1529 CE1 HIS A 96 29.331 2.477 0.022 1.00 15.11 C ATOM 1530 NE2 HIS A 96 29.443 3.656 -0.547 1.00 15.03 N ATOM 0 H HIS A 96 23.786 4.762 1.641 1.00 1.15 H new ATOM 0 HA HIS A 96 26.250 3.591 2.788 1.00 71.12 H new ATOM 0 HB2 HIS A 96 25.448 2.744 0.592 1.00 61.41 H new ATOM 0 HB3 HIS A 96 25.479 4.372 -0.056 1.00 61.41 H new ATOM 0 HD2 HIS A 96 28.035 5.321 -0.796 1.00 33.02 H new ATOM 0 HE1 HIS A 96 30.107 1.728 0.082 1.00 15.11 H new ATOM 0 HE2 HIS A 96 30.281 4.014 -1.005 1.00 15.03 H new ATOM 1539 N HIS A 97 27.272 5.833 3.228 1.00 62.34 N ATOM 1540 CA HIS A 97 27.944 7.117 3.461 1.00 4.31 C ATOM 1541 C HIS A 97 28.868 7.511 2.292 1.00 3.04 C ATOM 1542 O HIS A 97 29.737 6.739 1.879 1.00 55.33 O ATOM 1543 CB HIS A 97 28.754 7.070 4.765 1.00 63.35 C ATOM 1544 CG HIS A 97 29.509 8.339 5.041 1.00 53.23 C ATOM 1545 ND1 HIS A 97 28.926 9.455 5.607 1.00 61.51 N ATOM 1546 CD2 HIS A 97 30.798 8.677 4.802 1.00 34.11 C ATOM 1547 CE1 HIS A 97 29.820 10.417 5.699 1.00 13.42 C ATOM 1548 NE2 HIS A 97 30.960 9.972 5.219 1.00 14.12 N ATOM 0 H HIS A 97 27.475 5.119 3.928 1.00 62.34 H new ATOM 0 HA HIS A 97 27.164 7.874 3.540 1.00 4.31 H new ATOM 0 HB2 HIS A 97 28.079 6.869 5.597 1.00 63.35 H new ATOM 0 HB3 HIS A 97 29.458 6.239 4.718 1.00 63.35 H new ATOM 0 HD2 HIS A 97 31.556 8.044 4.365 1.00 34.11 H new ATOM 0 HE1 HIS A 97 29.646 11.404 6.101 1.00 13.42 H new ATOM 0 HE2 HIS A 97 31.827 10.506 5.165 1.00 14.12 H new ATOM 1557 N HIS A 98 28.669 8.721 1.770 1.00 10.32 N ATOM 1558 CA HIS A 98 29.543 9.283 0.730 1.00 74.24 C ATOM 1559 C HIS A 98 30.730 10.051 1.358 1.00 62.32 C ATOM 1560 O HIS A 98 31.827 9.464 1.485 1.00 37.02 O ATOM 1561 CB HIS A 98 28.723 10.208 -0.185 1.00 43.32 C ATOM 1562 CG HIS A 98 29.534 10.942 -1.213 1.00 32.45 C ATOM 1563 ND1 HIS A 98 30.004 12.223 -1.019 1.00 22.33 N ATOM 1564 CD2 HIS A 98 29.947 10.582 -2.451 1.00 71.51 C ATOM 1565 CE1 HIS A 98 30.665 12.618 -2.085 1.00 1.13 C ATOM 1566 NE2 HIS A 98 30.646 11.644 -2.968 1.00 60.32 N ATOM 1567 OXT HIS A 98 30.555 11.231 1.733 1.00 37.02 O ATOM 0 H HIS A 98 27.906 9.338 2.050 1.00 10.32 H new ATOM 0 HA HIS A 98 29.955 8.466 0.138 1.00 74.24 H new ATOM 0 HB2 HIS A 98 27.964 9.615 -0.695 1.00 43.32 H new ATOM 0 HB3 HIS A 98 28.197 10.936 0.432 1.00 43.32 H new ATOM 0 HD2 HIS A 98 29.761 9.637 -2.940 1.00 71.51 H new ATOM 0 HE1 HIS A 98 31.142 13.578 -2.213 1.00 1.13 H new ATOM 0 HE2 HIS A 98 31.081 11.673 -3.890 1.00 60.32 H new TER 1576 HIS A 98