USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 932 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 105 GLN : amide:sc= 0.203 K(o=0.55,f=-0.48) USER MOD Set 1.2: A 106 GLN : amide:sc= 0.35 K(o=0.55,f=-0.36) USER MOD Set 2.1: A 27 GLN : amide:sc= 0.785 K(o=0.78,f=-0.34) USER MOD Set 2.2: A 43 HIS : no HD1:sc= 0 X(o=0.78,f=0.77) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00821 USER MOD Single : A 12 SER OG : rot 90:sc= 1.19 USER MOD Single : A 14 CYS SG : rot 73:sc= 0.668 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 175:sc= -1.89! (180deg=-1.95!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.95! X(o=-2!,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 74:sc= 0.284 USER MOD Single : A 46 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.31) USER MOD Single : A 47 CYS SG : rot 88:sc= 0.0919 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.0117 K(o=0.012,f=-2) USER MOD Single : A 56 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00582) USER MOD Single : A 62 TYR OH : rot -107:sc= 0.0133 USER MOD Single : A 63 THR OG1 : rot -38:sc= 0.0146 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.933 K(o=0.93,f=-4.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0429 K(o=-0.043,f=-1.4!) USER MOD Single : A 80 SER OG : rot -1:sc= 1.01 USER MOD Single : A 81 LYS NZ :NH3+ 148:sc= 1.23 (180deg=0.339) USER MOD Single : A 83 THR OG1 : rot 71:sc= 1.13 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HE2:sc= 0.0438 K(o=0.044,f=-1.7) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0.0959 X(o=0.096,f=0) USER MOD Single : A 104 SER OG : rot -170:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.462 -7.039 -13.914 1.00 1.25 N ATOM 2 CA GLY A 1 -9.905 -7.119 -13.710 1.00 24.31 C ATOM 3 C GLY A 1 -10.302 -6.582 -12.351 1.00 74.41 C ATOM 4 O GLY A 1 -10.444 -7.388 -11.430 1.00 72.14 O ATOM 0 H1 GLY A 1 -8.223 -7.415 -14.854 1.00 1.25 H new ATOM 0 H2 GLY A 1 -8.157 -6.047 -13.850 1.00 1.25 H new ATOM 0 H3 GLY A 1 -7.977 -7.599 -13.184 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -10.416 -6.554 -14.490 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -10.230 -8.155 -13.802 1.00 24.31 H new ATOM 8 N PRO A 2 -10.505 -5.260 -12.195 1.00 21.13 N ATOM 9 CA PRO A 2 -11.108 -4.708 -10.987 1.00 33.10 C ATOM 10 C PRO A 2 -12.484 -5.354 -10.809 1.00 31.23 C ATOM 11 O PRO A 2 -13.259 -5.414 -11.766 1.00 32.32 O ATOM 12 CB PRO A 2 -11.172 -3.194 -11.209 1.00 20.42 C ATOM 13 CG PRO A 2 -11.165 -3.033 -12.723 1.00 53.34 C ATOM 14 CD PRO A 2 -10.357 -4.231 -13.215 1.00 51.34 C ATOM 0 HA PRO A 2 -10.546 -4.908 -10.075 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -12.072 -2.765 -10.768 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -10.321 -2.689 -10.752 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -12.176 -3.038 -13.130 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -10.706 -2.091 -13.023 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -10.726 -4.581 -14.179 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -9.309 -3.965 -13.352 1.00 51.34 H new ATOM 22 N LEU A 3 -12.749 -5.932 -9.639 1.00 33.52 N ATOM 23 CA LEU A 3 -13.880 -6.825 -9.428 1.00 53.12 C ATOM 24 C LEU A 3 -15.086 -6.077 -8.865 1.00 21.41 C ATOM 25 O LEU A 3 -16.207 -6.354 -9.285 1.00 21.53 O ATOM 26 CB LEU A 3 -13.428 -7.972 -8.511 1.00 51.24 C ATOM 27 CG LEU A 3 -14.012 -9.333 -8.936 1.00 72.34 C ATOM 28 CD1 LEU A 3 -13.013 -10.423 -8.555 1.00 44.30 C ATOM 29 CD2 LEU A 3 -15.374 -9.624 -8.302 1.00 70.30 C ATOM 0 H LEU A 3 -12.178 -5.791 -8.806 1.00 33.52 H new ATOM 0 HA LEU A 3 -14.206 -7.239 -10.382 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -12.340 -8.030 -8.517 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -13.730 -7.755 -7.487 1.00 51.24 H new ATOM 0 HG LEU A 3 -14.176 -9.309 -10.013 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -13.407 -11.396 -8.847 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -12.068 -10.245 -9.068 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -12.850 -10.407 -7.477 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -15.732 -10.596 -8.640 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -15.276 -9.631 -7.216 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -16.085 -8.852 -8.597 1.00 70.30 H new ATOM 41 N GLY A 4 -14.862 -5.125 -7.956 1.00 55.33 N ATOM 42 CA GLY A 4 -15.895 -4.384 -7.250 1.00 41.35 C ATOM 43 C GLY A 4 -15.281 -3.723 -6.018 1.00 40.13 C ATOM 44 O GLY A 4 -14.324 -2.956 -6.132 1.00 43.23 O ATOM 0 H GLY A 4 -13.920 -4.843 -7.686 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -16.330 -3.629 -7.905 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -16.703 -5.053 -6.954 1.00 41.35 H new ATOM 48 N SER A 5 -15.802 -4.014 -4.829 1.00 42.54 N ATOM 49 CA SER A 5 -15.407 -3.405 -3.558 1.00 3.44 C ATOM 50 C SER A 5 -14.781 -4.423 -2.590 1.00 4.11 C ATOM 51 O SER A 5 -14.662 -4.135 -1.400 1.00 1.13 O ATOM 52 CB SER A 5 -16.592 -2.618 -2.974 1.00 3.10 C ATOM 53 OG SER A 5 -17.798 -3.354 -3.013 1.00 33.13 O ATOM 0 H SER A 5 -16.541 -4.708 -4.718 1.00 42.54 H new ATOM 0 HA SER A 5 -14.605 -2.688 -3.736 1.00 3.44 H new ATOM 0 HB2 SER A 5 -16.370 -2.344 -1.943 1.00 3.10 H new ATOM 0 HB3 SER A 5 -16.718 -1.689 -3.531 1.00 3.10 H new ATOM 0 HG SER A 5 -18.522 -2.816 -2.631 1.00 33.13 H new ATOM 59 N LEU A 6 -14.323 -5.570 -3.114 1.00 13.12 N ATOM 60 CA LEU A 6 -13.806 -6.753 -2.415 1.00 4.11 C ATOM 61 C LEU A 6 -14.957 -7.545 -1.803 1.00 45.43 C ATOM 62 O LEU A 6 -16.019 -7.000 -1.504 1.00 60.30 O ATOM 63 CB LEU A 6 -12.722 -6.452 -1.355 1.00 72.24 C ATOM 64 CG LEU A 6 -11.450 -5.773 -1.893 1.00 35.44 C ATOM 65 CD1 LEU A 6 -10.533 -5.398 -0.725 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.677 -6.684 -2.859 1.00 61.12 C ATOM 0 H LEU A 6 -14.304 -5.703 -4.125 1.00 13.12 H new ATOM 0 HA LEU A 6 -13.302 -7.351 -3.174 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.157 -5.815 -0.585 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.439 -7.387 -0.872 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.761 -4.882 -2.439 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -9.633 -4.917 -1.109 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.055 -4.711 -0.059 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.257 -6.298 -0.175 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.787 -6.165 -3.215 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.383 -7.597 -2.341 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -11.313 -6.937 -3.708 1.00 61.12 H new ATOM 78 N ASP A 7 -14.744 -8.845 -1.631 1.00 75.13 N ATOM 79 CA ASP A 7 -15.699 -9.752 -1.001 1.00 1.34 C ATOM 80 C ASP A 7 -15.690 -9.474 0.498 1.00 50.11 C ATOM 81 O ASP A 7 -14.653 -9.086 1.037 1.00 25.20 O ATOM 82 CB ASP A 7 -15.291 -11.221 -1.192 1.00 22.15 C ATOM 83 CG ASP A 7 -15.144 -11.685 -2.640 1.00 51.25 C ATOM 84 OD1 ASP A 7 -14.379 -11.052 -3.410 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -15.720 -12.740 -2.982 1.00 12.54 O ATOM 0 H ASP A 7 -13.886 -9.308 -1.931 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.678 -9.591 -1.453 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.343 -11.385 -0.679 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -16.032 -11.852 -0.701 1.00 22.15 H new ATOM 90 N GLN A 8 -16.796 -9.748 1.189 1.00 35.03 N ATOM 91 CA GLN A 8 -16.965 -9.522 2.626 1.00 31.00 C ATOM 92 C GLN A 8 -15.810 -10.090 3.463 1.00 15.44 C ATOM 93 O GLN A 8 -15.235 -9.377 4.294 1.00 42.40 O ATOM 94 CB GLN A 8 -18.348 -10.045 3.056 1.00 11.40 C ATOM 95 CG GLN A 8 -18.599 -11.554 2.852 1.00 73.15 C ATOM 96 CD GLN A 8 -20.091 -11.885 2.780 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.814 -11.339 1.952 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.589 -12.780 3.609 1.00 23.44 N ATOM 0 H GLN A 8 -17.626 -10.146 0.751 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.927 -8.450 2.821 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -18.489 -9.814 4.112 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -19.110 -9.493 2.505 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -18.111 -11.881 1.934 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.144 -12.111 3.671 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -19.985 -13.231 4.296 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.579 -13.022 3.564 1.00 23.44 H new ATOM 107 N LYS A 9 -15.424 -11.350 3.225 1.00 54.03 N ATOM 108 CA LYS A 9 -14.322 -11.969 3.956 1.00 31.31 C ATOM 109 C LYS A 9 -13.015 -11.260 3.619 1.00 71.23 C ATOM 110 O LYS A 9 -12.309 -10.822 4.524 1.00 2.24 O ATOM 111 CB LYS A 9 -14.252 -13.477 3.666 1.00 54.31 C ATOM 112 CG LYS A 9 -15.506 -14.205 4.183 1.00 72.00 C ATOM 113 CD LYS A 9 -15.428 -15.730 4.065 1.00 23.34 C ATOM 114 CE LYS A 9 -15.299 -16.207 2.615 1.00 1.24 C ATOM 115 NZ LYS A 9 -15.259 -17.680 2.513 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.861 -11.957 2.531 1.00 54.03 H new ATOM 0 HA LYS A 9 -14.496 -11.861 5.027 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -14.152 -13.639 2.593 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -13.364 -13.899 4.136 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -15.665 -13.938 5.228 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -16.375 -13.851 3.628 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.575 -16.091 4.639 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -16.320 -16.170 4.510 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -16.139 -15.827 2.033 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -14.393 -15.789 2.176 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -15.171 -17.957 1.514 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.443 -18.043 3.046 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -16.135 -18.079 2.907 1.00 21.22 H new ATOM 129 N THR A 10 -12.693 -11.134 2.333 1.00 74.25 N ATOM 130 CA THR A 10 -11.462 -10.524 1.848 1.00 13.54 C ATOM 131 C THR A 10 -11.274 -9.121 2.439 1.00 52.52 C ATOM 132 O THR A 10 -10.192 -8.800 2.927 1.00 61.23 O ATOM 133 CB THR A 10 -11.518 -10.518 0.312 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.808 -11.824 -0.152 1.00 34.44 O ATOM 135 CG2 THR A 10 -10.224 -10.057 -0.353 1.00 21.15 C ATOM 0 H THR A 10 -13.299 -11.463 1.582 1.00 74.25 H new ATOM 0 HA THR A 10 -10.592 -11.097 2.170 1.00 13.54 H new ATOM 0 HB THR A 10 -12.296 -9.804 0.042 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.846 -11.822 -1.131 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.343 -10.081 -1.436 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.994 -9.040 -0.035 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.409 -10.721 -0.063 1.00 21.15 H new ATOM 143 N PHE A 11 -12.328 -8.308 2.413 1.00 2.31 N ATOM 144 CA PHE A 11 -12.401 -6.960 2.946 1.00 54.43 C ATOM 145 C PHE A 11 -12.048 -6.963 4.439 1.00 2.41 C ATOM 146 O PHE A 11 -11.121 -6.270 4.862 1.00 32.02 O ATOM 147 CB PHE A 11 -13.825 -6.461 2.657 1.00 25.32 C ATOM 148 CG PHE A 11 -14.121 -5.020 2.997 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.803 -4.006 2.074 1.00 71.24 C ATOM 150 CD2 PHE A 11 -14.810 -4.704 4.183 1.00 32.05 C ATOM 151 CE1 PHE A 11 -14.166 -2.676 2.346 1.00 72.32 C ATOM 152 CE2 PHE A 11 -15.181 -3.376 4.445 1.00 20.31 C ATOM 153 CZ PHE A 11 -14.855 -2.362 3.528 1.00 65.24 C ATOM 0 H PHE A 11 -13.209 -8.598 1.990 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.682 -6.286 2.481 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.029 -6.609 1.596 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.524 -7.091 3.207 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -13.282 -4.249 1.160 1.00 71.24 H new ATOM 0 HD2 PHE A 11 -15.053 -5.483 4.891 1.00 32.05 H new ATOM 0 HE1 PHE A 11 -13.915 -1.894 1.645 1.00 72.32 H new ATOM 0 HE2 PHE A 11 -15.717 -3.133 5.351 1.00 20.31 H new ATOM 0 HZ PHE A 11 -15.135 -1.339 3.733 1.00 65.24 H new ATOM 163 N SER A 12 -12.746 -7.783 5.226 1.00 52.41 N ATOM 164 CA SER A 12 -12.570 -7.875 6.672 1.00 3.30 C ATOM 165 C SER A 12 -11.158 -8.341 7.055 1.00 51.11 C ATOM 166 O SER A 12 -10.582 -7.833 8.022 1.00 3.04 O ATOM 167 CB SER A 12 -13.642 -8.812 7.240 1.00 34.53 C ATOM 168 OG SER A 12 -14.925 -8.389 6.800 1.00 33.32 O ATOM 0 H SER A 12 -13.463 -8.413 4.867 1.00 52.41 H new ATOM 0 HA SER A 12 -12.686 -6.881 7.105 1.00 3.30 H new ATOM 0 HB2 SER A 12 -13.454 -9.835 6.915 1.00 34.53 H new ATOM 0 HB3 SER A 12 -13.601 -8.810 8.329 1.00 34.53 H new ATOM 0 HG SER A 12 -15.146 -8.837 5.957 1.00 33.32 H new ATOM 174 N ILE A 13 -10.583 -9.274 6.285 1.00 45.32 N ATOM 175 CA ILE A 13 -9.216 -9.759 6.466 1.00 14.50 C ATOM 176 C ILE A 13 -8.235 -8.608 6.226 1.00 34.12 C ATOM 177 O ILE A 13 -7.346 -8.388 7.051 1.00 34.35 O ATOM 178 CB ILE A 13 -8.956 -10.977 5.546 1.00 15.23 C ATOM 179 CG1 ILE A 13 -9.787 -12.202 5.996 1.00 24.34 C ATOM 180 CG2 ILE A 13 -7.459 -11.349 5.511 1.00 52.31 C ATOM 181 CD1 ILE A 13 -9.976 -13.242 4.884 1.00 3.22 C ATOM 0 H ILE A 13 -11.067 -9.719 5.505 1.00 45.32 H new ATOM 0 HA ILE A 13 -9.068 -10.106 7.489 1.00 14.50 H new ATOM 0 HB ILE A 13 -9.265 -10.690 4.541 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -9.296 -12.674 6.847 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -10.765 -11.864 6.339 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -7.313 -12.208 4.856 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.883 -10.504 5.135 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -7.123 -11.599 6.517 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -10.567 -14.076 5.263 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -10.494 -12.784 4.041 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -9.002 -13.606 4.557 1.00 3.22 H new ATOM 193 N CYS A 14 -8.391 -7.852 5.130 1.00 42.43 N ATOM 194 CA CYS A 14 -7.527 -6.708 4.852 1.00 71.02 C ATOM 195 C CYS A 14 -7.555 -5.714 6.018 1.00 75.44 C ATOM 196 O CYS A 14 -6.503 -5.207 6.406 1.00 53.24 O ATOM 197 CB CYS A 14 -7.928 -6.000 3.555 1.00 61.45 C ATOM 198 SG CYS A 14 -7.709 -7.066 2.103 1.00 44.54 S ATOM 0 H CYS A 14 -9.109 -8.016 4.425 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.513 -7.089 4.731 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -8.970 -5.686 3.620 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.330 -5.097 3.435 1.00 61.45 H new ATOM 0 HG CYS A 14 -8.628 -7.986 2.097 1.00 44.54 H new ATOM 204 N LYS A 15 -8.731 -5.470 6.604 1.00 61.20 N ATOM 205 CA LYS A 15 -8.900 -4.526 7.706 1.00 71.41 C ATOM 206 C LYS A 15 -8.068 -4.905 8.934 1.00 64.32 C ATOM 207 O LYS A 15 -7.580 -3.997 9.613 1.00 53.44 O ATOM 208 CB LYS A 15 -10.399 -4.401 8.022 1.00 2.12 C ATOM 209 CG LYS A 15 -10.764 -3.055 8.663 1.00 72.43 C ATOM 210 CD LYS A 15 -12.283 -2.979 8.865 1.00 54.23 C ATOM 211 CE LYS A 15 -12.772 -1.580 9.260 1.00 22.04 C ATOM 212 NZ LYS A 15 -12.422 -1.206 10.648 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.598 -5.927 6.322 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.520 -3.551 7.402 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.971 -4.527 7.103 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.692 -5.209 8.693 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -10.253 -2.946 9.620 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -10.430 -2.235 8.028 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -12.781 -3.284 7.945 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -12.576 -3.690 9.637 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -12.345 -0.847 8.575 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.855 -1.534 9.141 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -12.781 -0.251 10.851 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -12.851 -1.885 11.309 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -11.388 -1.219 10.761 1.00 53.52 H new ATOM 226 N GLU A 16 -7.858 -6.198 9.198 1.00 32.01 N ATOM 227 CA GLU A 16 -6.947 -6.646 10.252 1.00 34.41 C ATOM 228 C GLU A 16 -5.499 -6.674 9.774 1.00 35.03 C ATOM 229 O GLU A 16 -4.604 -6.377 10.567 1.00 3.44 O ATOM 230 CB GLU A 16 -7.344 -8.032 10.785 1.00 11.31 C ATOM 231 CG GLU A 16 -8.540 -7.977 11.743 1.00 11.31 C ATOM 232 CD GLU A 16 -8.239 -7.154 13.007 1.00 44.31 C ATOM 233 OE1 GLU A 16 -8.451 -5.919 12.972 1.00 73.22 O ATOM 234 OE2 GLU A 16 -7.788 -7.736 14.016 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.312 -6.958 8.691 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.028 -5.922 11.062 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.586 -8.684 9.946 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.492 -8.477 11.299 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.397 -7.545 11.226 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.819 -8.991 12.030 1.00 11.31 H new ATOM 241 N ARG A 17 -5.232 -6.989 8.500 1.00 63.14 N ATOM 242 CA ARG A 17 -3.862 -6.949 7.984 1.00 23.14 C ATOM 243 C ARG A 17 -3.292 -5.542 8.135 1.00 53.13 C ATOM 244 O ARG A 17 -2.132 -5.392 8.510 1.00 22.52 O ATOM 245 CB ARG A 17 -3.774 -7.420 6.518 1.00 51.25 C ATOM 246 CG ARG A 17 -2.629 -8.433 6.323 1.00 12.51 C ATOM 247 CD ARG A 17 -3.089 -9.831 6.752 1.00 23.13 C ATOM 248 NE ARG A 17 -1.981 -10.800 6.895 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.125 -12.131 6.852 1.00 41.23 C ATOM 250 NH1 ARG A 17 -3.341 -12.642 6.664 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -1.092 -12.949 6.991 1.00 54.34 N ATOM 0 H ARG A 17 -5.936 -7.270 7.818 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.266 -7.645 8.574 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.719 -7.875 6.223 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -3.617 -6.560 5.866 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.319 -8.448 5.278 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -1.761 -8.131 6.909 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.619 -9.755 7.701 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -3.801 -10.211 6.019 1.00 23.13 H new ATOM 0 HE ARG A 17 -1.041 -10.429 7.036 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -4.144 -12.022 6.556 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -3.469 -13.653 6.629 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -0.156 -12.569 7.135 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -1.232 -13.959 6.954 1.00 54.34 H new ATOM 265 N MET A 18 -4.108 -4.519 7.884 1.00 71.35 N ATOM 266 CA MET A 18 -3.797 -3.102 8.018 1.00 21.12 C ATOM 267 C MET A 18 -3.906 -2.645 9.487 1.00 10.24 C ATOM 268 O MET A 18 -4.556 -1.644 9.800 1.00 60.01 O ATOM 269 CB MET A 18 -4.713 -2.319 7.052 1.00 35.41 C ATOM 270 CG MET A 18 -3.964 -1.410 6.076 1.00 63.51 C ATOM 271 SD MET A 18 -3.565 -2.156 4.472 1.00 62.02 S ATOM 272 CE MET A 18 -2.189 -3.236 4.918 1.00 72.55 C ATOM 0 H MET A 18 -5.064 -4.671 7.561 1.00 71.35 H new ATOM 0 HA MET A 18 -2.762 -2.902 7.741 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.313 -3.029 6.482 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.406 -1.713 7.637 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.565 -0.517 5.903 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.037 -1.084 6.547 1.00 63.51 H new ATOM 0 HE1 MET A 18 -1.895 -3.828 4.051 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.344 -2.631 5.248 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.496 -3.902 5.725 1.00 72.55 H new ATOM 282 N ARG A 19 -3.268 -3.368 10.410 1.00 70.53 N ATOM 283 CA ARG A 19 -3.090 -2.955 11.804 1.00 32.31 C ATOM 284 C ARG A 19 -1.799 -2.162 11.987 1.00 1.35 C ATOM 285 O ARG A 19 -1.901 -1.037 12.483 1.00 33.22 O ATOM 286 CB ARG A 19 -3.161 -4.145 12.783 1.00 55.31 C ATOM 287 CG ARG A 19 -4.588 -4.394 13.315 1.00 70.22 C ATOM 288 CD ARG A 19 -4.664 -5.479 14.406 1.00 11.33 C ATOM 289 NE ARG A 19 -3.757 -5.200 15.539 1.00 22.22 N ATOM 290 CZ ARG A 19 -3.980 -4.418 16.601 1.00 44.22 C ATOM 291 NH1 ARG A 19 -5.185 -3.884 16.781 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -2.993 -4.158 17.459 1.00 44.53 N ATOM 0 H ARG A 19 -2.852 -4.276 10.205 1.00 70.53 H new ATOM 0 HA ARG A 19 -3.925 -2.298 12.047 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -2.802 -5.044 12.282 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -2.492 -3.960 13.623 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -4.984 -3.461 13.715 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.231 -4.683 12.483 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.688 -5.551 14.773 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -4.412 -6.446 13.971 1.00 11.33 H new ATOM 0 HE ARG A 19 -2.848 -5.661 15.507 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -5.931 -4.072 16.112 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -5.363 -3.287 17.588 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -2.066 -4.556 17.306 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -3.165 -3.561 18.268 1.00 44.53 H new ATOM 306 N PRO A 20 -0.613 -2.656 11.583 1.00 55.23 N ATOM 307 CA PRO A 20 0.635 -1.931 11.793 1.00 5.31 C ATOM 308 C PRO A 20 0.593 -0.529 11.175 1.00 5.24 C ATOM 309 O PRO A 20 0.855 0.462 11.858 1.00 22.40 O ATOM 310 CB PRO A 20 1.726 -2.828 11.198 1.00 24.21 C ATOM 311 CG PRO A 20 1.005 -3.796 10.274 1.00 41.52 C ATOM 312 CD PRO A 20 -0.312 -3.968 11.016 1.00 62.13 C ATOM 0 HA PRO A 20 0.828 -1.742 12.849 1.00 5.31 H new ATOM 0 HB2 PRO A 20 2.462 -2.239 10.651 1.00 24.21 H new ATOM 0 HB3 PRO A 20 2.264 -3.362 11.981 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.866 -3.387 9.273 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.542 -4.738 10.161 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.103 -4.295 10.341 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.227 -4.723 11.797 1.00 62.13 H new ATOM 320 N VAL A 21 0.159 -0.425 9.919 1.00 53.43 N ATOM 321 CA VAL A 21 0.230 0.804 9.121 1.00 65.33 C ATOM 322 C VAL A 21 -1.098 1.580 9.131 1.00 34.13 C ATOM 323 O VAL A 21 -1.346 2.391 8.246 1.00 65.24 O ATOM 324 CB VAL A 21 0.754 0.482 7.697 1.00 4.30 C ATOM 325 CG1 VAL A 21 2.250 0.161 7.734 1.00 52.03 C ATOM 326 CG2 VAL A 21 0.013 -0.682 7.019 1.00 41.14 C ATOM 0 H VAL A 21 -0.260 -1.207 9.416 1.00 53.43 H new ATOM 0 HA VAL A 21 0.949 1.482 9.582 1.00 65.33 H new ATOM 0 HB VAL A 21 0.568 1.378 7.105 1.00 4.30 H new ATOM 0 HG11 VAL A 21 2.599 -0.062 6.726 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.797 1.019 8.126 1.00 52.03 H new ATOM 0 HG13 VAL A 21 2.421 -0.703 8.377 1.00 52.03 H new ATOM 0 HG21 VAL A 21 0.432 -0.851 6.027 1.00 41.14 H new ATOM 0 HG22 VAL A 21 0.126 -1.585 7.620 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.045 -0.436 6.929 1.00 41.14 H new ATOM 336 N LYS A 22 -1.989 1.351 10.104 1.00 4.01 N ATOM 337 CA LYS A 22 -3.358 1.887 10.066 1.00 52.15 C ATOM 338 C LYS A 22 -3.400 3.423 9.970 1.00 32.24 C ATOM 339 O LYS A 22 -4.195 3.970 9.193 1.00 35.14 O ATOM 340 CB LYS A 22 -4.148 1.339 11.269 1.00 14.31 C ATOM 341 CG LYS A 22 -5.658 1.236 11.011 1.00 51.24 C ATOM 342 CD LYS A 22 -6.422 2.522 11.337 1.00 4.42 C ATOM 343 CE LYS A 22 -7.881 2.387 10.889 1.00 30.13 C ATOM 344 NZ LYS A 22 -8.826 2.305 12.019 1.00 62.13 N1+ ATOM 0 H LYS A 22 -1.785 0.794 10.934 1.00 4.01 H new ATOM 0 HA LYS A 22 -3.839 1.546 9.149 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -3.763 0.353 11.528 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -3.977 1.984 12.131 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -5.823 0.980 9.964 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.066 0.420 11.607 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.378 2.721 12.408 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -5.955 3.370 10.836 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -8.144 3.240 10.264 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -7.984 1.495 10.271 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -9.796 2.215 11.655 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -8.597 1.476 12.603 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -8.752 3.167 12.597 1.00 62.13 H new ATOM 358 N ALA A 23 -2.538 4.125 10.713 1.00 3.10 N ATOM 359 CA ALA A 23 -2.427 5.568 10.545 1.00 60.23 C ATOM 360 C ALA A 23 -2.047 5.884 9.105 1.00 22.25 C ATOM 361 O ALA A 23 -2.751 6.654 8.473 1.00 61.41 O ATOM 362 CB ALA A 23 -1.422 6.197 11.510 1.00 13.54 C ATOM 0 H ALA A 23 -1.922 3.724 11.420 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.399 6.003 10.778 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.380 7.273 11.341 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -1.733 6.003 12.537 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.436 5.764 11.342 1.00 13.54 H new ATOM 368 N ALA A 24 -0.985 5.275 8.568 1.00 33.30 N ATOM 369 CA ALA A 24 -0.499 5.561 7.226 1.00 54.32 C ATOM 370 C ALA A 24 -1.588 5.325 6.176 1.00 25.33 C ATOM 371 O ALA A 24 -1.717 6.142 5.270 1.00 41.25 O ATOM 372 CB ALA A 24 0.757 4.736 6.936 1.00 1.31 C ATOM 0 H ALA A 24 -0.440 4.567 9.060 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.233 6.617 7.171 1.00 54.32 H new ATOM 0 HB1 ALA A 24 1.113 4.957 5.930 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.533 4.988 7.659 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.521 3.675 7.012 1.00 1.31 H new ATOM 378 N LEU A 25 -2.403 4.268 6.317 1.00 62.25 N ATOM 379 CA LEU A 25 -3.587 4.047 5.513 1.00 63.42 C ATOM 380 C LEU A 25 -4.470 5.291 5.549 1.00 64.02 C ATOM 381 O LEU A 25 -4.765 5.861 4.500 1.00 34.33 O ATOM 382 CB LEU A 25 -4.326 2.820 6.069 1.00 1.32 C ATOM 383 CG LEU A 25 -5.726 2.575 5.485 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.608 1.916 4.117 1.00 2.21 C ATOM 385 CD2 LEU A 25 -6.491 1.704 6.484 1.00 60.44 C ATOM 0 H LEU A 25 -2.243 3.537 7.010 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.319 3.860 4.473 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.715 1.936 5.888 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -4.415 2.929 7.150 1.00 1.32 H new ATOM 0 HG LEU A 25 -6.268 3.509 5.336 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -6.604 1.745 3.708 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -5.048 2.567 3.446 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -5.088 0.963 4.216 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -7.493 1.508 6.103 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.964 0.760 6.622 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -6.561 2.223 7.440 1.00 60.44 H new ATOM 397 N LYS A 26 -4.919 5.695 6.744 1.00 54.00 N ATOM 398 CA LYS A 26 -5.869 6.808 6.816 1.00 74.52 C ATOM 399 C LYS A 26 -5.248 8.151 6.398 1.00 13.22 C ATOM 400 O LYS A 26 -5.938 8.980 5.808 1.00 65.43 O ATOM 401 CB LYS A 26 -6.507 6.831 8.206 1.00 21.25 C ATOM 402 CG LYS A 26 -7.650 7.853 8.282 1.00 45.03 C ATOM 403 CD LYS A 26 -8.661 7.441 9.354 1.00 54.44 C ATOM 404 CE LYS A 26 -9.565 8.627 9.692 1.00 30.32 C ATOM 405 NZ LYS A 26 -10.433 8.364 10.851 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.653 5.287 7.640 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.660 6.648 6.084 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.887 5.839 8.450 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -5.750 7.074 8.951 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.249 8.840 8.511 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.146 7.927 7.314 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.261 6.603 8.999 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.139 7.102 10.249 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -8.949 9.503 9.896 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -10.183 8.866 8.827 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -11.025 9.198 11.038 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -11.042 7.545 10.650 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -9.846 8.162 11.685 1.00 3.34 H new ATOM 419 N GLN A 27 -3.955 8.352 6.636 1.00 44.31 N ATOM 420 CA GLN A 27 -3.206 9.565 6.300 1.00 45.20 C ATOM 421 C GLN A 27 -3.107 9.783 4.785 1.00 75.11 C ATOM 422 O GLN A 27 -2.765 10.880 4.332 1.00 3.23 O ATOM 423 CB GLN A 27 -1.807 9.475 6.904 1.00 63.33 C ATOM 424 CG GLN A 27 -1.881 9.490 8.434 1.00 62.13 C ATOM 425 CD GLN A 27 -1.624 10.848 9.055 1.00 71.01 C ATOM 426 OE1 GLN A 27 -2.199 11.855 8.658 1.00 33.44 O ATOM 427 NE2 GLN A 27 -0.764 10.889 10.056 1.00 1.20 N ATOM 0 H GLN A 27 -3.374 7.646 7.087 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.743 10.418 6.715 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.317 8.562 6.567 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.200 10.310 6.555 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.867 9.143 8.742 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -1.155 8.779 8.829 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -0.300 10.035 10.365 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -0.563 11.775 10.520 1.00 1.20 H new ATOM 436 N LEU A 28 -3.362 8.733 4.000 1.00 32.11 N ATOM 437 CA LEU A 28 -3.338 8.751 2.549 1.00 1.43 C ATOM 438 C LEU A 28 -4.745 8.864 1.963 1.00 13.42 C ATOM 439 O LEU A 28 -4.865 8.930 0.741 1.00 2.11 O ATOM 440 CB LEU A 28 -2.574 7.516 2.027 1.00 33.02 C ATOM 441 CG LEU A 28 -1.101 7.785 1.655 1.00 3.21 C ATOM 442 CD1 LEU A 28 -0.994 8.743 0.463 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.260 8.319 2.817 1.00 62.12 C ATOM 0 H LEU A 28 -3.599 7.816 4.379 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.805 9.641 2.214 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -2.607 6.736 2.788 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.092 7.128 1.150 1.00 33.02 H new ATOM 0 HG LEU A 28 -0.693 6.812 1.384 1.00 3.21 H new ATOM 0 HD11 LEU A 28 0.056 8.912 0.226 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.495 8.306 -0.401 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.467 9.692 0.716 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.763 8.484 2.480 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -0.682 9.260 3.169 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.261 7.594 3.631 1.00 62.12 H new ATOM 455 N ASP A 29 -5.798 8.909 2.789 1.00 4.35 N ATOM 456 CA ASP A 29 -7.095 9.433 2.364 1.00 23.20 C ATOM 457 C ASP A 29 -6.918 10.936 2.171 1.00 70.54 C ATOM 458 O ASP A 29 -6.847 11.417 1.037 1.00 54.23 O ATOM 459 CB ASP A 29 -8.202 9.078 3.377 1.00 44.14 C ATOM 460 CG ASP A 29 -9.620 9.502 2.962 1.00 22.52 C ATOM 461 OD1 ASP A 29 -9.810 10.553 2.310 1.00 42.44 O ATOM 462 OD2 ASP A 29 -10.573 8.799 3.375 1.00 31.42 O1- ATOM 0 H ASP A 29 -5.773 8.587 3.757 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.420 8.981 1.427 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -8.194 8.000 3.539 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.964 9.546 4.332 1.00 44.14 H new ATOM 467 N ARG A 30 -6.753 11.673 3.271 1.00 1.15 N ATOM 468 CA ARG A 30 -6.460 13.102 3.280 1.00 60.23 C ATOM 469 C ARG A 30 -5.602 13.432 4.506 1.00 21.12 C ATOM 470 O ARG A 30 -5.630 12.650 5.462 1.00 42.23 O ATOM 471 CB ARG A 30 -7.776 13.912 3.274 1.00 12.30 C ATOM 472 CG ARG A 30 -8.375 14.024 1.864 1.00 32.22 C ATOM 473 CD ARG A 30 -9.224 15.287 1.708 1.00 61.42 C ATOM 474 NE ARG A 30 -10.484 15.203 2.459 1.00 74.33 N ATOM 475 CZ ARG A 30 -11.041 16.148 3.221 1.00 54.25 C ATOM 476 NH1 ARG A 30 -10.442 17.306 3.454 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -12.237 15.913 3.738 1.00 42.22 N ATOM 0 H ARG A 30 -6.822 11.276 4.208 1.00 1.15 H new ATOM 0 HA ARG A 30 -5.902 13.374 2.384 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -8.498 13.436 3.938 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -7.589 14.911 3.669 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -7.572 14.032 1.127 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -8.987 13.146 1.658 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -8.655 16.151 2.052 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -9.442 15.449 0.652 1.00 61.42 H new ATOM 0 HE ARG A 30 -10.992 14.321 2.391 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -9.527 17.498 3.046 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -10.896 18.006 4.041 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -12.709 15.028 3.550 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -12.687 16.617 4.324 1.00 42.22 H new ATOM 491 N PRO A 31 -4.894 14.575 4.508 1.00 42.22 N ATOM 492 CA PRO A 31 -4.020 14.996 5.604 1.00 54.35 C ATOM 493 C PRO A 31 -4.730 15.149 6.954 1.00 4.11 C ATOM 494 O PRO A 31 -5.956 15.263 7.013 1.00 74.21 O ATOM 495 CB PRO A 31 -3.432 16.340 5.156 1.00 32.13 C ATOM 496 CG PRO A 31 -4.350 16.819 4.035 1.00 42.02 C ATOM 497 CD PRO A 31 -4.794 15.517 3.400 1.00 44.54 C ATOM 0 HA PRO A 31 -3.266 14.229 5.782 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -3.408 17.054 5.979 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.407 16.225 4.804 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -5.194 17.393 4.418 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -3.825 17.459 3.326 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -5.751 15.632 2.891 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.076 15.176 2.655 1.00 44.54 H new ATOM 505 N GLU A 32 -3.936 15.229 8.031 1.00 1.13 N ATOM 506 CA GLU A 32 -4.415 15.470 9.394 1.00 30.44 C ATOM 507 C GLU A 32 -4.107 16.883 9.899 1.00 4.33 C ATOM 508 O GLU A 32 -4.502 17.231 11.012 1.00 30.13 O ATOM 509 CB GLU A 32 -3.930 14.368 10.359 1.00 33.11 C ATOM 510 CG GLU A 32 -2.511 14.546 10.948 1.00 14.44 C ATOM 511 CD GLU A 32 -2.028 13.306 11.715 1.00 31.31 C ATOM 512 OE1 GLU A 32 -2.848 12.511 12.230 1.00 23.13 O1- ATOM 513 OE2 GLU A 32 -0.791 13.090 11.776 1.00 41.22 O ATOM 0 H GLU A 32 -2.923 15.126 7.975 1.00 1.13 H new ATOM 0 HA GLU A 32 -5.503 15.414 9.362 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -4.637 14.302 11.186 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -3.965 13.414 9.833 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -1.812 14.764 10.141 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -2.505 15.407 11.616 1.00 14.44 H new ATOM 520 N LYS A 33 -3.441 17.716 9.091 1.00 52.24 N ATOM 521 CA LYS A 33 -3.101 19.113 9.395 1.00 32.14 C ATOM 522 C LYS A 33 -2.182 19.263 10.623 1.00 2.41 C ATOM 523 O LYS A 33 -1.982 20.374 11.111 1.00 0.40 O ATOM 524 CB LYS A 33 -4.402 19.946 9.477 1.00 62.42 C ATOM 525 CG LYS A 33 -4.391 21.309 8.766 1.00 63.41 C ATOM 526 CD LYS A 33 -3.609 22.392 9.521 1.00 51.51 C ATOM 527 CE LYS A 33 -4.053 23.820 9.174 1.00 43.22 C ATOM 528 NZ LYS A 33 -3.741 24.245 7.793 1.00 43.21 N1+ ATOM 0 H LYS A 33 -3.111 17.425 8.171 1.00 52.24 H new ATOM 0 HA LYS A 33 -2.497 19.512 8.580 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -5.215 19.351 9.061 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -4.635 20.112 10.529 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -3.959 21.187 7.773 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -5.419 21.645 8.628 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -3.727 22.234 10.593 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -2.548 22.285 9.298 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -5.129 23.899 9.330 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -3.578 24.513 9.869 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -4.075 25.219 7.646 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -2.713 24.205 7.641 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -4.215 23.611 7.119 1.00 43.21 H new ATOM 542 N GLY A 34 -1.602 18.176 11.135 1.00 62.23 N ATOM 543 CA GLY A 34 -0.859 18.161 12.392 1.00 43.33 C ATOM 544 C GLY A 34 0.628 18.494 12.256 1.00 1.12 C ATOM 545 O GLY A 34 1.353 18.347 13.238 1.00 35.04 O ATOM 0 H GLY A 34 -1.637 17.265 10.677 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.316 18.874 13.078 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -0.957 17.175 12.845 1.00 43.33 H new ATOM 549 N LEU A 35 1.124 18.890 11.074 1.00 20.30 N ATOM 550 CA LEU A 35 2.542 19.097 10.820 1.00 75.01 C ATOM 551 C LEU A 35 2.750 20.427 10.098 1.00 50.32 C ATOM 552 O LEU A 35 1.806 21.138 9.748 1.00 62.14 O ATOM 553 CB LEU A 35 3.074 17.932 9.955 1.00 30.55 C ATOM 554 CG LEU A 35 2.932 16.529 10.571 1.00 75.10 C ATOM 555 CD1 LEU A 35 3.252 15.480 9.512 1.00 74.41 C ATOM 556 CD2 LEU A 35 3.879 16.367 11.755 1.00 10.10 C ATOM 0 H LEU A 35 0.536 19.076 10.262 1.00 20.30 H new ATOM 0 HA LEU A 35 3.086 19.125 11.764 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.551 17.944 8.999 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.128 18.112 9.744 1.00 30.55 H new ATOM 0 HG LEU A 35 1.909 16.399 10.924 1.00 75.10 H new ATOM 0 HD11 LEU A 35 3.153 14.484 9.944 1.00 74.41 H new ATOM 0 HD12 LEU A 35 2.560 15.584 8.676 1.00 74.41 H new ATOM 0 HD13 LEU A 35 4.273 15.621 9.157 1.00 74.41 H new ATOM 0 HD21 LEU A 35 3.765 15.369 12.178 1.00 10.10 H new ATOM 0 HD22 LEU A 35 4.907 16.504 11.420 1.00 10.10 H new ATOM 0 HD23 LEU A 35 3.643 17.112 12.514 1.00 10.10 H new ATOM 568 N SER A 36 3.997 20.696 9.745 1.00 13.30 N ATOM 569 CA SER A 36 4.371 21.686 8.769 1.00 21.20 C ATOM 570 C SER A 36 4.059 21.164 7.361 1.00 65.31 C ATOM 571 O SER A 36 4.041 19.958 7.125 1.00 60.15 O ATOM 572 CB SER A 36 5.844 22.074 8.934 1.00 50.44 C ATOM 573 OG SER A 36 6.064 22.726 10.175 1.00 62.23 O ATOM 0 H SER A 36 4.798 20.210 10.149 1.00 13.30 H new ATOM 0 HA SER A 36 3.787 22.594 8.924 1.00 21.20 H new ATOM 0 HB2 SER A 36 6.467 21.182 8.873 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.144 22.730 8.117 1.00 50.44 H new ATOM 0 HG SER A 36 7.012 22.962 10.257 1.00 62.23 H new ATOM 579 N GLU A 37 3.865 22.048 6.389 1.00 43.12 N ATOM 580 CA GLU A 37 3.372 21.712 5.061 1.00 23.33 C ATOM 581 C GLU A 37 4.348 20.818 4.307 1.00 0.42 C ATOM 582 O GLU A 37 3.980 19.776 3.763 1.00 53.05 O ATOM 583 CB GLU A 37 3.185 23.005 4.275 1.00 4.24 C ATOM 584 CG GLU A 37 1.919 23.780 4.632 1.00 51.34 C ATOM 585 CD GLU A 37 1.603 24.730 3.485 1.00 10.03 C ATOM 586 OE1 GLU A 37 2.259 25.793 3.372 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 0.718 24.383 2.674 1.00 20.55 O ATOM 0 H GLU A 37 4.051 23.044 6.507 1.00 43.12 H new ATOM 0 HA GLU A 37 2.431 21.172 5.169 1.00 23.33 H new ATOM 0 HB2 GLU A 37 4.050 23.647 4.443 1.00 4.24 H new ATOM 0 HB3 GLU A 37 3.165 22.770 3.211 1.00 4.24 H new ATOM 0 HG2 GLU A 37 1.088 23.095 4.798 1.00 51.34 H new ATOM 0 HG3 GLU A 37 2.063 24.337 5.558 1.00 51.34 H new ATOM 594 N ARG A 38 5.616 21.222 4.277 1.00 21.15 N ATOM 595 CA ARG A 38 6.656 20.457 3.598 1.00 61.30 C ATOM 596 C ARG A 38 6.887 19.126 4.315 1.00 25.54 C ATOM 597 O ARG A 38 7.430 18.199 3.716 1.00 2.34 O ATOM 598 CB ARG A 38 7.942 21.298 3.561 1.00 12.35 C ATOM 599 CG ARG A 38 8.721 21.247 2.226 1.00 63.40 C ATOM 600 CD ARG A 38 10.049 20.477 2.240 1.00 71.42 C ATOM 601 NE ARG A 38 11.088 21.109 3.070 1.00 64.41 N ATOM 602 CZ ARG A 38 12.115 21.884 2.693 1.00 71.50 C ATOM 603 NH1 ARG A 38 12.223 22.369 1.460 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 13.063 22.173 3.574 1.00 51.23 N ATOM 0 H ARG A 38 5.948 22.080 4.718 1.00 21.15 H new ATOM 0 HA ARG A 38 6.348 20.231 2.577 1.00 61.30 H new ATOM 0 HB2 ARG A 38 7.685 22.336 3.775 1.00 12.35 H new ATOM 0 HB3 ARG A 38 8.601 20.961 4.361 1.00 12.35 H new ATOM 0 HG2 ARG A 38 8.075 20.800 1.470 1.00 63.40 H new ATOM 0 HG3 ARG A 38 8.923 22.270 1.909 1.00 63.40 H new ATOM 0 HD2 ARG A 38 9.869 19.466 2.605 1.00 71.42 H new ATOM 0 HD3 ARG A 38 10.417 20.386 1.218 1.00 71.42 H new ATOM 0 HE ARG A 38 11.016 20.933 4.072 1.00 64.41 H new ATOM 0 HH11 ARG A 38 11.509 22.155 0.763 1.00 14.30 H new ATOM 0 HH12 ARG A 38 13.019 22.955 1.211 1.00 14.30 H new ATOM 0 HH21 ARG A 38 13.005 21.807 4.524 1.00 51.23 H new ATOM 0 HH22 ARG A 38 13.850 22.761 3.301 1.00 51.23 H new ATOM 618 N GLU A 39 6.505 19.018 5.591 1.00 34.32 N ATOM 619 CA GLU A 39 6.566 17.777 6.350 1.00 22.23 C ATOM 620 C GLU A 39 5.383 16.894 6.021 1.00 4.10 C ATOM 621 O GLU A 39 5.576 15.694 5.937 1.00 34.05 O ATOM 622 CB GLU A 39 6.648 18.020 7.863 1.00 71.25 C ATOM 623 CG GLU A 39 7.838 18.912 8.247 1.00 31.04 C ATOM 624 CD GLU A 39 9.214 18.370 7.805 1.00 75.22 C ATOM 625 OE1 GLU A 39 9.356 17.184 7.419 1.00 73.33 O ATOM 626 OE2 GLU A 39 10.155 19.186 7.675 1.00 14.54 O1- ATOM 0 H GLU A 39 6.140 19.805 6.128 1.00 34.32 H new ATOM 0 HA GLU A 39 7.484 17.268 6.056 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.723 18.485 8.205 1.00 71.25 H new ATOM 0 HB3 GLU A 39 6.733 17.063 8.378 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.692 19.899 7.808 1.00 31.04 H new ATOM 0 HG3 GLU A 39 7.844 19.042 9.329 1.00 31.04 H new ATOM 633 N GLN A 40 4.203 17.448 5.735 1.00 75.44 N ATOM 634 CA GLN A 40 3.095 16.658 5.194 1.00 33.21 C ATOM 635 C GLN A 40 3.576 15.994 3.901 1.00 45.12 C ATOM 636 O GLN A 40 3.397 14.793 3.704 1.00 73.12 O ATOM 637 CB GLN A 40 1.861 17.532 4.907 1.00 44.22 C ATOM 638 CG GLN A 40 1.254 18.261 6.112 1.00 34.02 C ATOM 639 CD GLN A 40 0.110 17.469 6.722 1.00 3.44 C ATOM 640 OE1 GLN A 40 -1.057 17.752 6.465 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.414 16.444 7.490 1.00 2.34 N ATOM 0 H GLN A 40 3.990 18.437 5.868 1.00 75.44 H new ATOM 0 HA GLN A 40 2.796 15.910 5.929 1.00 33.21 H new ATOM 0 HB2 GLN A 40 2.134 18.276 4.158 1.00 44.22 H new ATOM 0 HB3 GLN A 40 1.090 16.902 4.464 1.00 44.22 H new ATOM 0 HG2 GLN A 40 2.025 18.427 6.864 1.00 34.02 H new ATOM 0 HG3 GLN A 40 0.894 19.242 5.802 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.391 16.228 7.690 1.00 2.34 H new ATOM 0 HE22 GLN A 40 -0.327 15.866 7.886 1.00 2.34 H new ATOM 650 N LEU A 41 4.255 16.781 3.055 1.00 41.12 N ATOM 651 CA LEU A 41 4.816 16.331 1.788 1.00 15.34 C ATOM 652 C LEU A 41 5.816 15.190 1.997 1.00 23.34 C ATOM 653 O LEU A 41 6.014 14.375 1.102 1.00 52.42 O ATOM 654 CB LEU A 41 5.515 17.516 1.087 1.00 21.03 C ATOM 655 CG LEU A 41 5.351 17.618 -0.445 1.00 0.11 C ATOM 656 CD1 LEU A 41 5.632 16.323 -1.213 1.00 22.31 C ATOM 657 CD2 LEU A 41 3.951 18.117 -0.808 1.00 65.33 C ATOM 0 H LEU A 41 4.429 17.768 3.243 1.00 41.12 H new ATOM 0 HA LEU A 41 4.003 15.957 1.165 1.00 15.34 H new ATOM 0 HB2 LEU A 41 5.143 18.440 1.530 1.00 21.03 H new ATOM 0 HB3 LEU A 41 6.580 17.462 1.311 1.00 21.03 H new ATOM 0 HG LEU A 41 6.114 18.332 -0.754 1.00 0.11 H new ATOM 0 HD11 LEU A 41 5.491 16.495 -2.280 1.00 22.31 H new ATOM 0 HD12 LEU A 41 6.659 16.007 -1.029 1.00 22.31 H new ATOM 0 HD13 LEU A 41 4.947 15.545 -0.877 1.00 22.31 H new ATOM 0 HD21 LEU A 41 3.857 18.181 -1.892 1.00 65.33 H new ATOM 0 HD22 LEU A 41 3.205 17.423 -0.420 1.00 65.33 H new ATOM 0 HD23 LEU A 41 3.791 19.103 -0.371 1.00 65.33 H new ATOM 669 N GLU A 42 6.505 15.142 3.137 1.00 33.24 N ATOM 670 CA GLU A 42 7.441 14.079 3.480 1.00 33.03 C ATOM 671 C GLU A 42 6.674 12.870 4.005 1.00 40.42 C ATOM 672 O GLU A 42 6.893 11.747 3.538 1.00 21.43 O ATOM 673 CB GLU A 42 8.482 14.629 4.466 1.00 30.51 C ATOM 674 CG GLU A 42 9.717 13.726 4.605 1.00 14.32 C ATOM 675 CD GLU A 42 9.750 12.796 5.824 1.00 3.02 C ATOM 676 OE1 GLU A 42 8.764 12.712 6.589 1.00 44.20 O ATOM 677 OE2 GLU A 42 10.824 12.172 6.027 1.00 2.14 O1- ATOM 0 H GLU A 42 6.424 15.857 3.860 1.00 33.24 H new ATOM 0 HA GLU A 42 7.987 13.734 2.602 1.00 33.03 H new ATOM 0 HB2 GLU A 42 8.798 15.619 4.136 1.00 30.51 H new ATOM 0 HB3 GLU A 42 8.017 14.752 5.444 1.00 30.51 H new ATOM 0 HG2 GLU A 42 9.795 13.114 3.706 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.602 14.361 4.636 1.00 14.32 H new ATOM 684 N HIS A 43 5.725 13.125 4.903 1.00 44.33 N ATOM 685 CA HIS A 43 4.905 12.142 5.583 1.00 44.01 C ATOM 686 C HIS A 43 4.195 11.253 4.572 1.00 54.41 C ATOM 687 O HIS A 43 4.100 10.053 4.811 1.00 14.03 O ATOM 688 CB HIS A 43 3.892 12.843 6.504 1.00 30.04 C ATOM 689 CG HIS A 43 3.597 12.110 7.787 1.00 15.00 C ATOM 690 ND1 HIS A 43 4.495 11.923 8.814 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.373 11.665 8.212 1.00 25.41 C ATOM 692 CE1 HIS A 43 3.829 11.399 9.855 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.533 11.218 9.534 1.00 71.41 N ATOM 0 H HIS A 43 5.500 14.079 5.187 1.00 44.33 H new ATOM 0 HA HIS A 43 5.547 11.511 6.197 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.269 13.836 6.747 1.00 30.04 H new ATOM 0 HB3 HIS A 43 2.959 12.981 5.957 1.00 30.04 H new ATOM 0 HD2 HIS A 43 1.458 11.659 7.639 1.00 25.41 H new ATOM 0 HE1 HIS A 43 4.268 11.157 10.812 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.807 10.830 10.136 1.00 71.41 H new ATOM 701 N THR A 44 3.737 11.802 3.443 1.00 62.13 N ATOM 702 CA THR A 44 3.082 11.024 2.404 1.00 71.14 C ATOM 703 C THR A 44 4.041 9.958 1.871 1.00 32.51 C ATOM 704 O THR A 44 3.648 8.798 1.777 1.00 73.14 O ATOM 705 CB THR A 44 2.607 11.966 1.287 1.00 22.00 C ATOM 706 OG1 THR A 44 1.823 13.012 1.831 1.00 22.10 O ATOM 707 CG2 THR A 44 1.765 11.269 0.219 1.00 62.22 C ATOM 0 H THR A 44 3.813 12.797 3.230 1.00 62.13 H new ATOM 0 HA THR A 44 2.211 10.512 2.813 1.00 71.14 H new ATOM 0 HB THR A 44 3.515 12.343 0.816 1.00 22.00 H new ATOM 0 HG1 THR A 44 2.404 13.647 2.299 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.464 11.994 -0.538 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.352 10.479 -0.249 1.00 62.22 H new ATOM 0 HG23 THR A 44 0.877 10.837 0.680 1.00 62.22 H new ATOM 715 N ARG A 45 5.295 10.305 1.542 1.00 24.01 N ATOM 716 CA ARG A 45 6.227 9.317 0.995 1.00 72.21 C ATOM 717 C ARG A 45 6.574 8.282 2.051 1.00 64.44 C ATOM 718 O ARG A 45 6.560 7.100 1.715 1.00 71.53 O ATOM 719 CB ARG A 45 7.514 9.934 0.423 1.00 64.22 C ATOM 720 CG ARG A 45 7.250 10.844 -0.791 1.00 11.44 C ATOM 721 CD ARG A 45 7.532 12.305 -0.447 1.00 54.04 C ATOM 722 NE ARG A 45 8.962 12.644 -0.579 1.00 4.24 N ATOM 723 CZ ARG A 45 9.528 13.787 -0.175 1.00 42.41 C ATOM 724 NH1 ARG A 45 8.787 14.715 0.421 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 10.830 13.987 -0.363 1.00 0.40 N ATOM 0 H ARG A 45 5.678 11.245 1.644 1.00 24.01 H new ATOM 0 HA ARG A 45 5.712 8.844 0.159 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.013 10.511 1.202 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.196 9.135 0.131 1.00 64.22 H new ATOM 0 HG2 ARG A 45 7.879 10.535 -1.626 1.00 11.44 H new ATOM 0 HG3 ARG A 45 6.215 10.735 -1.114 1.00 11.44 H new ATOM 0 HD2 ARG A 45 6.946 12.950 -1.102 1.00 54.04 H new ATOM 0 HD3 ARG A 45 7.206 12.505 0.574 1.00 54.04 H new ATOM 0 HE ARG A 45 9.569 11.950 -1.014 1.00 4.24 H new ATOM 0 HH11 ARG A 45 7.791 14.555 0.569 1.00 25.00 H new ATOM 0 HH12 ARG A 45 9.215 15.588 0.731 1.00 25.00 H new ATOM 0 HH21 ARG A 45 11.396 13.269 -0.815 1.00 0.40 H new ATOM 0 HH22 ARG A 45 11.262 14.858 -0.055 1.00 0.40 H new ATOM 739 N GLN A 46 6.863 8.702 3.288 1.00 54.25 N ATOM 740 CA GLN A 46 7.229 7.769 4.349 1.00 14.35 C ATOM 741 C GLN A 46 6.076 6.801 4.630 1.00 34.32 C ATOM 742 O GLN A 46 6.290 5.592 4.674 1.00 63.33 O ATOM 743 CB GLN A 46 7.670 8.523 5.614 1.00 1.03 C ATOM 744 CG GLN A 46 8.839 9.494 5.387 1.00 71.03 C ATOM 745 CD GLN A 46 10.076 8.851 4.766 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.139 8.647 3.555 1.00 2.51 O ATOM 747 NE2 GLN A 46 11.092 8.551 5.552 1.00 72.22 N ATOM 0 H GLN A 46 6.849 9.681 3.574 1.00 54.25 H new ATOM 0 HA GLN A 46 8.082 7.177 4.017 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.820 9.080 6.008 1.00 1.03 H new ATOM 0 HB3 GLN A 46 7.956 7.798 6.376 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.502 10.305 4.742 1.00 71.03 H new ATOM 0 HG3 GLN A 46 9.116 9.941 6.342 1.00 71.03 H new ATOM 0 HE21 GLN A 46 11.029 8.724 6.555 1.00 72.22 H new ATOM 0 HE22 GLN A 46 11.940 8.146 5.157 1.00 72.22 H new ATOM 756 N CYS A 47 4.842 7.306 4.736 1.00 43.24 N ATOM 757 CA CYS A 47 3.649 6.498 4.833 1.00 44.42 C ATOM 758 C CYS A 47 3.593 5.512 3.666 1.00 2.22 C ATOM 759 O CYS A 47 3.515 4.310 3.896 1.00 63.24 O ATOM 760 CB CYS A 47 2.429 7.425 4.837 1.00 3.33 C ATOM 761 SG CYS A 47 2.229 8.241 6.445 1.00 22.35 S ATOM 0 H CYS A 47 4.655 8.308 4.756 1.00 43.24 H new ATOM 0 HA CYS A 47 3.657 5.919 5.756 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.538 8.177 4.056 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.532 6.851 4.604 1.00 3.33 H new ATOM 0 HG CYS A 47 2.920 9.342 6.462 1.00 22.35 H new ATOM 767 N LEU A 48 3.630 6.009 2.428 1.00 4.13 N ATOM 768 CA LEU A 48 3.498 5.230 1.201 1.00 3.12 C ATOM 769 C LEU A 48 4.495 4.061 1.156 1.00 50.02 C ATOM 770 O LEU A 48 4.089 2.918 0.919 1.00 33.14 O ATOM 771 CB LEU A 48 3.580 6.231 0.032 1.00 72.14 C ATOM 772 CG LEU A 48 3.595 5.730 -1.420 1.00 60.44 C ATOM 773 CD1 LEU A 48 4.998 5.314 -1.869 1.00 73.51 C ATOM 774 CD2 LEU A 48 2.569 4.636 -1.718 1.00 44.04 C ATOM 0 H LEU A 48 3.758 7.005 2.249 1.00 4.13 H new ATOM 0 HA LEU A 48 2.538 4.718 1.137 1.00 3.12 H new ATOM 0 HB2 LEU A 48 2.733 6.911 0.130 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.483 6.824 0.178 1.00 72.14 H new ATOM 0 HG LEU A 48 3.288 6.590 -2.015 1.00 60.44 H new ATOM 0 HD11 LEU A 48 4.962 4.967 -2.901 1.00 73.51 H new ATOM 0 HD12 LEU A 48 5.671 6.168 -1.797 1.00 73.51 H new ATOM 0 HD13 LEU A 48 5.362 4.511 -1.228 1.00 73.51 H new ATOM 0 HD21 LEU A 48 2.647 4.340 -2.764 1.00 44.04 H new ATOM 0 HD22 LEU A 48 2.762 3.773 -1.081 1.00 44.04 H new ATOM 0 HD23 LEU A 48 1.566 5.015 -1.522 1.00 44.04 H new ATOM 786 N ILE A 49 5.791 4.290 1.396 1.00 4.15 N ATOM 787 CA ILE A 49 6.774 3.217 1.428 1.00 22.35 C ATOM 788 C ILE A 49 6.536 2.256 2.600 1.00 73.31 C ATOM 789 O ILE A 49 6.661 1.043 2.405 1.00 54.42 O ATOM 790 CB ILE A 49 8.236 3.720 1.300 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.725 4.696 2.395 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.413 4.384 -0.081 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.385 4.035 3.606 1.00 33.54 C ATOM 0 H ILE A 49 6.179 5.217 1.571 1.00 4.15 H new ATOM 0 HA ILE A 49 6.621 2.623 0.527 1.00 22.35 H new ATOM 0 HB ILE A 49 8.853 2.830 1.426 1.00 2.24 H new ATOM 0 HG12 ILE A 49 9.435 5.392 1.949 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.875 5.285 2.740 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.437 4.742 -0.184 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.203 3.656 -0.864 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.724 5.224 -0.172 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.693 4.802 4.316 1.00 33.54 H new ATOM 0 HD12 ILE A 49 8.675 3.361 4.085 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.258 3.470 3.281 1.00 33.54 H new ATOM 805 N LYS A 50 6.144 2.746 3.783 1.00 54.03 N ATOM 806 CA LYS A 50 5.931 1.874 4.937 1.00 10.45 C ATOM 807 C LYS A 50 4.705 0.986 4.724 1.00 65.14 C ATOM 808 O LYS A 50 4.739 -0.171 5.145 1.00 21.01 O ATOM 809 CB LYS A 50 5.892 2.706 6.238 1.00 64.21 C ATOM 810 CG LYS A 50 6.430 1.989 7.494 1.00 11.34 C ATOM 811 CD LYS A 50 7.956 1.771 7.461 1.00 30.02 C ATOM 812 CE LYS A 50 8.489 1.140 8.761 1.00 53.21 C ATOM 813 NZ LYS A 50 9.915 0.758 8.664 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.970 3.735 3.962 1.00 54.03 H new ATOM 0 HA LYS A 50 6.773 1.190 5.044 1.00 10.45 H new ATOM 0 HB2 LYS A 50 6.469 3.618 6.085 1.00 64.21 H new ATOM 0 HB3 LYS A 50 4.862 3.009 6.426 1.00 64.21 H new ATOM 0 HG2 LYS A 50 6.172 2.574 8.377 1.00 11.34 H new ATOM 0 HG3 LYS A 50 5.934 1.024 7.594 1.00 11.34 H new ATOM 0 HD2 LYS A 50 8.210 1.128 6.618 1.00 30.02 H new ATOM 0 HD3 LYS A 50 8.453 2.727 7.294 1.00 30.02 H new ATOM 0 HE2 LYS A 50 8.360 1.845 9.582 1.00 53.21 H new ATOM 0 HE3 LYS A 50 7.896 0.258 9.002 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 10.224 0.339 9.564 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 10.037 0.064 7.899 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 10.487 1.602 8.461 1.00 51.25 H new ATOM 827 N ILE A 51 3.661 1.480 4.047 1.00 24.51 N ATOM 828 CA ILE A 51 2.509 0.689 3.612 1.00 1.44 C ATOM 829 C ILE A 51 3.012 -0.411 2.693 1.00 1.23 C ATOM 830 O ILE A 51 2.763 -1.587 2.957 1.00 42.41 O ATOM 831 CB ILE A 51 1.416 1.551 2.913 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.826 2.564 3.916 1.00 72.01 C ATOM 833 CG2 ILE A 51 0.297 0.640 2.385 1.00 64.43 C ATOM 834 CD1 ILE A 51 0.084 3.717 3.225 1.00 62.13 C ATOM 0 H ILE A 51 3.595 2.463 3.782 1.00 24.51 H new ATOM 0 HA ILE A 51 2.026 0.260 4.490 1.00 1.44 H new ATOM 0 HB ILE A 51 1.867 2.091 2.080 1.00 34.42 H new ATOM 0 HG12 ILE A 51 0.141 2.047 4.588 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.629 2.971 4.531 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.466 1.246 1.897 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.712 -0.068 1.668 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.150 0.094 3.216 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.310 4.399 3.978 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.773 4.255 2.574 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -0.738 3.317 2.632 1.00 62.13 H new ATOM 846 N GLY A 52 3.658 -0.032 1.589 1.00 60.25 N ATOM 847 CA GLY A 52 3.941 -0.983 0.533 1.00 12.12 C ATOM 848 C GLY A 52 4.845 -2.111 1.015 1.00 41.42 C ATOM 849 O GLY A 52 4.675 -3.252 0.571 1.00 1.12 O ATOM 0 H GLY A 52 3.988 0.917 1.411 1.00 60.25 H new ATOM 0 HA2 GLY A 52 3.006 -1.401 0.160 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.416 -0.468 -0.302 1.00 12.12 H new ATOM 853 N ASP A 53 5.771 -1.826 1.932 1.00 15.43 N ATOM 854 CA ASP A 53 6.628 -2.864 2.498 1.00 23.03 C ATOM 855 C ASP A 53 5.906 -3.710 3.535 1.00 4.51 C ATOM 856 O ASP A 53 6.006 -4.930 3.452 1.00 64.45 O ATOM 857 CB ASP A 53 7.900 -2.282 3.112 1.00 51.04 C ATOM 858 CG ASP A 53 9.191 -2.901 2.570 1.00 41.21 C ATOM 859 OD1 ASP A 53 9.192 -3.772 1.666 1.00 2.34 O ATOM 860 OD2 ASP A 53 10.258 -2.345 2.903 1.00 74.02 O1- ATOM 0 H ASP A 53 5.945 -0.889 2.296 1.00 15.43 H new ATOM 0 HA ASP A 53 6.903 -3.507 1.662 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.920 -1.207 2.931 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.867 -2.423 4.192 1.00 51.04 H new ATOM 865 N HIS A 54 5.136 -3.111 4.456 1.00 4.14 N ATOM 866 CA HIS A 54 4.376 -3.917 5.421 1.00 61.14 C ATOM 867 C HIS A 54 3.399 -4.835 4.704 1.00 71.00 C ATOM 868 O HIS A 54 3.103 -5.930 5.179 1.00 13.33 O ATOM 869 CB HIS A 54 3.569 -3.058 6.395 1.00 31.12 C ATOM 870 CG HIS A 54 4.355 -2.651 7.602 1.00 71.42 C ATOM 871 ND1 HIS A 54 5.119 -1.518 7.710 1.00 41.41 N ATOM 872 CD2 HIS A 54 4.400 -3.315 8.797 1.00 41.53 C ATOM 873 CE1 HIS A 54 5.594 -1.479 8.966 1.00 33.05 C ATOM 874 NE2 HIS A 54 5.183 -2.550 9.663 1.00 52.53 N ATOM 0 H HIS A 54 5.025 -2.102 4.552 1.00 4.14 H new ATOM 0 HA HIS A 54 5.116 -4.491 5.978 1.00 61.14 H new ATOM 0 HB2 HIS A 54 3.218 -2.165 5.878 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.685 -3.611 6.713 1.00 31.12 H new ATOM 0 HD1 HIS A 54 5.294 -0.833 6.975 1.00 41.41 H new ATOM 0 HD2 HIS A 54 3.920 -4.255 9.027 1.00 41.53 H new ATOM 0 HE1 HIS A 54 6.221 -0.693 9.361 1.00 33.05 H new ATOM 882 N ILE A 55 2.852 -4.399 3.572 1.00 14.30 N ATOM 883 CA ILE A 55 2.044 -5.264 2.748 1.00 11.25 C ATOM 884 C ILE A 55 2.946 -6.350 2.193 1.00 40.53 C ATOM 885 O ILE A 55 2.593 -7.509 2.351 1.00 21.05 O ATOM 886 CB ILE A 55 1.305 -4.465 1.680 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.248 -3.598 2.376 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.646 -5.412 0.662 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.417 -2.617 1.427 1.00 63.25 C ATOM 0 H ILE A 55 2.959 -3.450 3.213 1.00 14.30 H new ATOM 0 HA ILE A 55 1.256 -5.743 3.330 1.00 11.25 H new ATOM 0 HB ILE A 55 2.004 -3.830 1.136 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.512 -4.242 2.818 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.715 -3.048 3.193 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.122 -4.826 -0.094 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.412 -6.021 0.183 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.064 -6.060 1.175 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.156 -2.029 1.971 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.336 -1.952 1.004 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.909 -3.165 0.624 1.00 63.25 H new ATOM 901 N THR A 56 4.072 -6.013 1.559 1.00 5.22 N ATOM 902 CA THR A 56 4.982 -7.000 0.993 1.00 13.14 C ATOM 903 C THR A 56 5.259 -8.118 2.008 1.00 44.41 C ATOM 904 O THR A 56 5.047 -9.284 1.687 1.00 3.10 O ATOM 905 CB THR A 56 6.265 -6.313 0.492 1.00 23.42 C ATOM 906 OG1 THR A 56 5.940 -5.369 -0.515 1.00 70.12 O ATOM 907 CG2 THR A 56 7.235 -7.316 -0.118 1.00 44.22 C ATOM 0 H THR A 56 4.374 -5.048 1.426 1.00 5.22 H new ATOM 0 HA THR A 56 4.517 -7.473 0.128 1.00 13.14 H new ATOM 0 HB THR A 56 6.731 -5.832 1.352 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.765 -4.498 -0.102 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.129 -6.795 -0.461 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.512 -8.057 0.632 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.759 -7.815 -0.963 1.00 44.22 H new ATOM 915 N GLU A 57 5.665 -7.759 3.221 1.00 33.02 N ATOM 916 CA GLU A 57 6.089 -8.629 4.312 1.00 24.11 C ATOM 917 C GLU A 57 4.936 -9.445 4.911 1.00 32.24 C ATOM 918 O GLU A 57 5.174 -10.522 5.462 1.00 3.40 O ATOM 919 CB GLU A 57 6.753 -7.749 5.373 1.00 61.11 C ATOM 920 CG GLU A 57 8.059 -7.131 4.845 1.00 73.54 C ATOM 921 CD GLU A 57 9.214 -8.132 4.771 1.00 61.31 C ATOM 922 OE1 GLU A 57 9.765 -8.473 5.839 1.00 1.40 O ATOM 923 OE2 GLU A 57 9.666 -8.475 3.654 1.00 10.24 O1- ATOM 0 H GLU A 57 5.710 -6.775 3.488 1.00 33.02 H new ATOM 0 HA GLU A 57 6.791 -9.367 3.925 1.00 24.11 H new ATOM 0 HB2 GLU A 57 6.068 -6.956 5.673 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.962 -8.343 6.263 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.882 -6.717 3.852 1.00 73.54 H new ATOM 0 HG3 GLU A 57 8.347 -6.301 5.490 1.00 73.54 H new ATOM 930 N CYS A 58 3.697 -8.967 4.783 1.00 11.34 N ATOM 931 CA CYS A 58 2.488 -9.693 5.167 1.00 0.31 C ATOM 932 C CYS A 58 2.061 -10.640 4.050 1.00 73.23 C ATOM 933 O CYS A 58 1.629 -11.757 4.310 1.00 13.34 O ATOM 934 CB CYS A 58 1.337 -8.713 5.416 1.00 31.54 C ATOM 935 SG CYS A 58 1.326 -8.116 7.133 1.00 43.24 S ATOM 0 H CYS A 58 3.503 -8.042 4.400 1.00 11.34 H new ATOM 0 HA CYS A 58 2.710 -10.255 6.074 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.426 -7.866 4.736 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.388 -9.201 5.194 1.00 31.54 H new ATOM 0 HG CYS A 58 0.338 -7.288 7.298 1.00 43.24 H new ATOM 941 N LEU A 59 2.156 -10.197 2.799 1.00 64.12 N ATOM 942 CA LEU A 59 1.948 -11.040 1.633 1.00 53.20 C ATOM 943 C LEU A 59 2.938 -12.204 1.721 1.00 72.32 C ATOM 944 O LEU A 59 2.496 -13.334 1.579 1.00 72.00 O ATOM 945 CB LEU A 59 2.066 -10.252 0.310 1.00 14.43 C ATOM 946 CG LEU A 59 1.038 -9.126 0.113 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.479 -8.256 -1.066 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.363 -9.675 -0.132 1.00 3.53 C ATOM 0 H LEU A 59 2.383 -9.230 2.568 1.00 64.12 H new ATOM 0 HA LEU A 59 0.929 -11.428 1.630 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.066 -9.821 0.253 1.00 14.43 H new ATOM 0 HB3 LEU A 59 1.973 -10.953 -0.519 1.00 14.43 H new ATOM 0 HG LEU A 59 0.995 -8.531 1.025 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.757 -7.453 -1.216 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.459 -7.828 -0.856 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.535 -8.866 -1.967 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -1.060 -8.848 -0.266 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.359 -10.295 -1.028 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.673 -10.275 0.723 1.00 3.53 H new ATOM 960 N LYS A 60 4.232 -11.988 2.029 1.00 42.43 N ATOM 961 CA LYS A 60 5.214 -13.084 2.155 1.00 35.12 C ATOM 962 C LYS A 60 4.708 -14.191 3.072 1.00 40.54 C ATOM 963 O LYS A 60 5.016 -15.360 2.826 1.00 41.41 O ATOM 964 CB LYS A 60 6.570 -12.626 2.735 1.00 54.12 C ATOM 965 CG LYS A 60 7.318 -11.471 2.069 1.00 34.15 C ATOM 966 CD LYS A 60 7.281 -11.343 0.547 1.00 11.14 C ATOM 967 CE LYS A 60 8.407 -12.131 -0.140 1.00 52.11 C ATOM 968 NZ LYS A 60 8.237 -13.601 -0.122 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.623 -11.061 2.196 1.00 42.43 H new ATOM 0 HA LYS A 60 5.350 -13.441 1.134 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.404 -12.351 3.777 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.235 -13.490 2.735 1.00 54.12 H new ATOM 0 HG2 LYS A 60 6.928 -10.543 2.487 1.00 34.15 H new ATOM 0 HG3 LYS A 60 8.364 -11.541 2.368 1.00 34.15 H new ATOM 0 HD2 LYS A 60 6.318 -11.698 0.180 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.359 -10.291 0.273 1.00 11.14 H new ATOM 0 HE2 LYS A 60 8.482 -11.801 -1.176 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.352 -11.883 0.343 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 9.014 -14.047 -0.650 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 8.247 -13.940 0.861 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 7.330 -13.851 -0.565 1.00 72.35 H new ATOM 982 N GLU A 61 3.936 -13.823 4.094 1.00 54.21 N ATOM 983 CA GLU A 61 3.471 -14.725 5.129 1.00 54.40 C ATOM 984 C GLU A 61 2.680 -15.884 4.547 1.00 62.01 C ATOM 985 O GLU A 61 2.753 -16.996 5.081 1.00 3.42 O ATOM 986 CB GLU A 61 2.599 -13.968 6.135 1.00 64.41 C ATOM 987 CG GLU A 61 2.780 -14.552 7.541 1.00 21.14 C ATOM 988 CD GLU A 61 1.757 -14.046 8.551 1.00 34.24 C ATOM 989 OE1 GLU A 61 1.226 -12.924 8.395 1.00 3.14 O ATOM 990 OE2 GLU A 61 1.445 -14.836 9.477 1.00 63.12 O1- ATOM 0 H GLU A 61 3.613 -12.864 4.222 1.00 54.21 H new ATOM 0 HA GLU A 61 4.350 -15.129 5.632 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.866 -12.911 6.136 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.552 -14.032 5.839 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.715 -15.639 7.485 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.781 -14.311 7.899 1.00 21.14 H new ATOM 997 N TYR A 62 1.935 -15.638 3.461 1.00 60.23 N ATOM 998 CA TYR A 62 1.058 -16.659 2.912 1.00 13.04 C ATOM 999 C TYR A 62 1.822 -17.865 2.404 1.00 13.02 C ATOM 1000 O TYR A 62 1.248 -18.948 2.388 1.00 51.53 O ATOM 1001 CB TYR A 62 0.208 -16.095 1.771 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.749 -15.018 2.233 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -1.693 -15.323 3.230 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.679 -13.716 1.713 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -2.552 -14.334 3.726 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.528 -12.718 2.226 1.00 62.34 C ATOM 1007 CZ TYR A 62 -2.472 -13.019 3.227 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.276 -12.038 3.718 1.00 10.34 O ATOM 0 H TYR A 62 1.927 -14.751 2.957 1.00 60.23 H new ATOM 0 HA TYR A 62 0.415 -16.980 3.731 1.00 13.04 H new ATOM 0 HB2 TYR A 62 0.864 -15.687 1.002 1.00 44.44 H new ATOM 0 HB3 TYR A 62 -0.358 -16.905 1.310 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -1.756 -16.329 3.617 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.021 -13.482 0.925 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -3.275 -14.579 4.490 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.455 -11.709 1.848 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.968 -11.821 3.059 1.00 10.34 H new ATOM 1018 N THR A 63 3.050 -17.656 1.919 1.00 43.11 N ATOM 1019 CA THR A 63 3.956 -18.613 1.286 1.00 35.33 C ATOM 1020 C THR A 63 3.327 -19.525 0.197 1.00 12.01 C ATOM 1021 O THR A 63 4.026 -20.342 -0.410 1.00 41.13 O ATOM 1022 CB THR A 63 4.832 -19.264 2.368 1.00 2.33 C ATOM 1023 OG1 THR A 63 6.058 -19.727 1.839 1.00 32.45 O ATOM 1024 CG2 THR A 63 4.111 -20.391 3.075 1.00 31.03 C ATOM 0 H THR A 63 3.471 -16.728 1.965 1.00 43.11 H new ATOM 0 HA THR A 63 4.641 -18.077 0.629 1.00 35.33 H new ATOM 0 HB THR A 63 5.047 -18.486 3.101 1.00 2.33 H new ATOM 0 HG1 THR A 63 5.909 -20.097 0.944 1.00 32.45 H new ATOM 0 HG21 THR A 63 4.766 -20.824 3.832 1.00 31.03 H new ATOM 0 HG22 THR A 63 3.211 -20.004 3.552 1.00 31.03 H new ATOM 0 HG23 THR A 63 3.837 -21.158 2.351 1.00 31.03 H new ATOM 1032 N ASN A 64 2.039 -19.380 -0.137 1.00 22.12 N ATOM 1033 CA ASN A 64 1.421 -19.997 -1.300 1.00 20.34 C ATOM 1034 C ASN A 64 1.507 -19.009 -2.446 1.00 62.22 C ATOM 1035 O ASN A 64 1.207 -17.832 -2.234 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.055 -20.326 -0.991 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.163 -21.798 -0.620 1.00 21.22 C ATOM 1038 OD1 ASN A 64 0.557 -22.284 0.249 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -0.981 -22.563 -1.313 1.00 53.22 N ATOM 0 H ASN A 64 1.389 -18.816 0.411 1.00 22.12 H new ATOM 0 HA ASN A 64 1.931 -20.924 -1.562 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.417 -19.703 -0.173 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.679 -20.109 -1.858 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -1.020 -23.566 -1.130 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.576 -22.153 -2.033 1.00 53.22 H new ATOM 1046 N PRO A 65 1.753 -19.472 -3.679 1.00 2.25 N ATOM 1047 CA PRO A 65 1.920 -18.574 -4.804 1.00 15.53 C ATOM 1048 C PRO A 65 0.595 -17.925 -5.164 1.00 14.03 C ATOM 1049 O PRO A 65 0.573 -16.728 -5.422 1.00 64.50 O ATOM 1050 CB PRO A 65 2.506 -19.411 -5.936 1.00 31.12 C ATOM 1051 CG PRO A 65 2.085 -20.829 -5.582 1.00 31.01 C ATOM 1052 CD PRO A 65 2.104 -20.829 -4.060 1.00 54.11 C ATOM 0 HA PRO A 65 2.593 -17.747 -4.578 1.00 15.53 H new ATOM 0 HB2 PRO A 65 2.113 -19.106 -6.906 1.00 31.12 H new ATOM 0 HB3 PRO A 65 3.591 -19.315 -5.987 1.00 31.12 H new ATOM 0 HG2 PRO A 65 1.095 -21.064 -5.972 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.773 -21.568 -5.993 1.00 31.01 H new ATOM 0 HD2 PRO A 65 1.392 -21.549 -3.657 1.00 54.11 H new ATOM 0 HD3 PRO A 65 3.087 -21.104 -3.678 1.00 54.11 H new ATOM 1060 N GLU A 66 -0.510 -18.670 -5.141 1.00 13.54 N ATOM 1061 CA GLU A 66 -1.798 -18.090 -5.496 1.00 32.01 C ATOM 1062 C GLU A 66 -2.233 -17.077 -4.436 1.00 34.31 C ATOM 1063 O GLU A 66 -2.811 -16.057 -4.802 1.00 2.21 O ATOM 1064 CB GLU A 66 -2.856 -19.182 -5.687 1.00 33.45 C ATOM 1065 CG GLU A 66 -2.499 -20.191 -6.786 1.00 24.12 C ATOM 1066 CD GLU A 66 -2.474 -19.559 -8.175 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -1.392 -19.094 -8.603 1.00 45.54 O1- ATOM 1068 OE2 GLU A 66 -3.515 -19.590 -8.875 1.00 0.13 O ATOM 0 H GLU A 66 -0.538 -19.657 -4.885 1.00 13.54 H new ATOM 0 HA GLU A 66 -1.692 -17.566 -6.446 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -2.992 -19.714 -4.746 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -3.810 -18.714 -5.929 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -1.523 -20.627 -6.571 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -3.222 -21.007 -6.775 1.00 24.12 H new ATOM 1075 N GLN A 67 -1.932 -17.295 -3.144 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.274 -16.336 -2.127 1.00 44.41 C ATOM 1077 C GLN A 67 -1.426 -15.095 -2.309 1.00 71.14 C ATOM 1078 O GLN A 67 -2.004 -14.023 -2.443 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.104 -16.924 -0.719 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.447 -17.431 -0.188 1.00 13.40 C ATOM 1081 CD GLN A 67 -3.685 -17.477 1.327 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -4.661 -16.911 1.814 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.878 -18.168 2.108 1.00 3.24 N ATOM 0 H GLN A 67 -1.455 -18.128 -2.799 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.326 -16.070 -2.231 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.383 -17.741 -0.744 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.703 -16.165 -0.047 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -4.228 -16.808 -0.624 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.592 -18.440 -0.573 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -2.066 -18.641 1.712 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -3.066 -18.230 3.109 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.092 -15.202 -2.324 1.00 1.22 N ATOM 1093 CA ILE A 68 0.738 -14.005 -2.446 1.00 12.50 C ATOM 1094 C ILE A 68 0.368 -13.238 -3.737 1.00 71.12 C ATOM 1095 O ILE A 68 0.336 -12.006 -3.726 1.00 55.41 O ATOM 1096 CB ILE A 68 2.251 -14.306 -2.306 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.875 -15.187 -3.388 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.535 -14.991 -0.975 1.00 13.44 C ATOM 1099 CD1 ILE A 68 3.398 -14.407 -4.595 1.00 33.44 C ATOM 0 H ILE A 68 0.422 -16.081 -2.255 1.00 1.22 H new ATOM 0 HA ILE A 68 0.522 -13.347 -1.605 1.00 12.50 H new ATOM 0 HB ILE A 68 2.705 -13.319 -2.395 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.696 -15.756 -2.951 1.00 13.11 H new ATOM 0 HG13 ILE A 68 2.133 -15.909 -3.728 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.602 -15.196 -0.892 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.226 -14.340 -0.157 1.00 13.44 H new ATOM 0 HG23 ILE A 68 1.981 -15.928 -0.922 1.00 13.44 H new ATOM 0 HD11 ILE A 68 3.826 -15.101 -5.319 1.00 33.44 H new ATOM 0 HD12 ILE A 68 2.577 -13.860 -5.058 1.00 33.44 H new ATOM 0 HD13 ILE A 68 4.165 -13.704 -4.269 1.00 33.44 H new ATOM 1111 N LYS A 69 0.013 -13.947 -4.828 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.448 -13.356 -6.083 1.00 12.30 C ATOM 1113 C LYS A 69 -1.755 -12.590 -5.899 1.00 53.31 C ATOM 1114 O LYS A 69 -1.825 -11.437 -6.326 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.652 -14.414 -7.186 1.00 34.45 C ATOM 1116 CG LYS A 69 0.642 -14.855 -7.887 1.00 41.45 C ATOM 1117 CD LYS A 69 0.362 -16.078 -8.777 1.00 30.22 C ATOM 1118 CE LYS A 69 1.621 -16.695 -9.403 1.00 41.34 C ATOM 1119 NZ LYS A 69 2.211 -15.880 -10.489 1.00 65.32 N1+ ATOM 0 H LYS A 69 0.042 -14.966 -4.853 1.00 64.12 H new ATOM 0 HA LYS A 69 0.339 -12.668 -6.391 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -1.131 -15.290 -6.749 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.338 -14.015 -7.933 1.00 34.45 H new ATOM 0 HG2 LYS A 69 1.036 -14.037 -8.490 1.00 41.45 H new ATOM 0 HG3 LYS A 69 1.403 -15.100 -7.146 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -0.146 -16.838 -8.183 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -0.322 -15.786 -9.574 1.00 30.22 H new ATOM 0 HE2 LYS A 69 2.369 -16.840 -8.623 1.00 41.34 H new ATOM 0 HE3 LYS A 69 1.374 -17.681 -9.795 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 3.055 -16.358 -10.863 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 1.514 -15.762 -11.252 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 2.478 -14.947 -10.116 1.00 65.32 H new ATOM 1133 N GLN A 70 -2.794 -13.234 -5.368 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.141 -12.682 -5.309 1.00 72.22 C ATOM 1135 C GLN A 70 -4.195 -11.586 -4.250 1.00 73.44 C ATOM 1136 O GLN A 70 -4.643 -10.472 -4.533 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.138 -13.805 -4.978 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.593 -13.391 -5.228 1.00 63.14 C ATOM 1139 CD GLN A 70 -6.858 -13.231 -6.722 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -6.885 -14.213 -7.461 1.00 54.22 O ATOM 1141 NE2 GLN A 70 -7.045 -12.018 -7.214 1.00 61.54 N ATOM 0 H GLN A 70 -2.719 -14.167 -4.962 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.408 -12.249 -6.273 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -4.905 -14.683 -5.581 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.020 -14.095 -3.934 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.266 -14.141 -4.812 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -6.803 -12.453 -4.714 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -7.021 -11.207 -6.595 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -7.213 -11.893 -8.212 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.715 -11.883 -3.040 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.680 -10.945 -1.934 1.00 1.41 C ATOM 1152 C TRP A 71 -2.884 -9.695 -2.304 1.00 43.13 C ATOM 1153 O TRP A 71 -3.281 -8.609 -1.887 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.135 -11.627 -0.674 1.00 34.40 C ATOM 1155 CG TRP A 71 -4.096 -12.520 0.037 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -4.000 -13.858 0.211 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.301 -12.106 0.741 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -5.054 -14.283 0.992 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.897 -13.253 1.334 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.977 -10.876 0.893 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -7.109 -13.188 2.036 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -7.196 -10.801 1.589 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.756 -11.951 2.169 1.00 10.30 C ATOM 0 H TRP A 71 -3.335 -12.800 -2.805 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.697 -10.619 -1.716 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.257 -12.212 -0.949 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.800 -10.856 0.020 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.224 -14.490 -0.195 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -5.192 -15.251 1.283 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.551 -9.979 0.468 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.539 -14.079 2.469 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.705 -9.853 1.678 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.684 -11.883 2.717 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.828 -9.809 -3.130 1.00 1.43 N ATOM 1175 CA ARG A 72 -1.096 -8.643 -3.636 1.00 44.24 C ATOM 1176 C ARG A 72 -2.068 -7.598 -4.186 1.00 25.40 C ATOM 1177 O ARG A 72 -1.995 -6.428 -3.820 1.00 72.43 O ATOM 1178 CB ARG A 72 -0.016 -9.046 -4.666 1.00 20.22 C ATOM 1179 CG ARG A 72 0.365 -7.951 -5.690 1.00 24.51 C ATOM 1180 CD ARG A 72 1.802 -8.107 -6.197 1.00 4.10 C ATOM 1181 NE ARG A 72 1.956 -8.109 -7.661 1.00 14.41 N ATOM 1182 CZ ARG A 72 3.147 -8.231 -8.266 1.00 35.32 C ATOM 1183 NH1 ARG A 72 4.269 -8.224 -7.549 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 3.216 -8.367 -9.586 1.00 74.24 N ATOM 0 H ARG A 72 -1.465 -10.703 -3.460 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.562 -8.187 -2.802 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.883 -9.344 -4.127 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.366 -9.923 -5.211 1.00 20.22 H new ATOM 0 HG2 ARG A 72 -0.323 -7.991 -6.535 1.00 24.51 H new ATOM 0 HG3 ARG A 72 0.248 -6.970 -5.230 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.405 -7.297 -5.786 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.209 -9.039 -5.804 1.00 4.10 H new ATOM 0 HE ARG A 72 1.122 -8.014 -8.240 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.225 -8.126 -6.535 1.00 54.04 H new ATOM 0 HH12 ARG A 72 5.172 -8.317 -8.014 1.00 54.04 H new ATOM 0 HH21 ARG A 72 2.361 -8.379 -10.143 1.00 74.24 H new ATOM 0 HH22 ARG A 72 4.123 -8.459 -10.042 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.946 -8.006 -5.105 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.936 -7.123 -5.703 1.00 2.53 C ATOM 1200 C LYS A 73 -4.949 -6.691 -4.663 1.00 1.23 C ATOM 1201 O LYS A 73 -5.238 -5.500 -4.605 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.653 -7.821 -6.862 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.896 -7.614 -8.172 1.00 63.11 C ATOM 1204 CD LYS A 73 -4.421 -8.586 -9.225 1.00 42.23 C ATOM 1205 CE LYS A 73 -3.945 -8.140 -10.606 1.00 22.32 C ATOM 1206 NZ LYS A 73 -4.220 -9.165 -11.626 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.986 -8.964 -5.453 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.420 -6.244 -6.088 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.741 -8.887 -6.652 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.666 -7.430 -6.957 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.019 -6.587 -8.517 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -2.829 -7.772 -8.016 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -4.067 -9.595 -9.014 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -5.510 -8.618 -9.196 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -4.441 -7.209 -10.880 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -2.875 -7.934 -10.575 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -3.885 -8.832 -12.552 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -3.726 -10.045 -11.375 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -5.244 -9.343 -11.672 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.495 -7.621 -3.876 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.581 -7.290 -2.962 1.00 31.13 C ATOM 1222 C ASN A 74 -6.156 -6.203 -1.974 1.00 50.53 C ATOM 1223 O ASN A 74 -6.933 -5.279 -1.746 1.00 74.44 O ATOM 1224 CB ASN A 74 -7.130 -8.544 -2.260 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.979 -9.417 -3.185 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.538 -8.955 -4.179 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -8.124 -10.699 -2.894 1.00 4.44 N ATOM 0 H ASN A 74 -5.204 -8.598 -3.855 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.403 -6.881 -3.549 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.298 -9.133 -1.875 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.730 -8.241 -1.402 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.696 -11.296 -3.492 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.664 -11.091 -2.072 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.931 -6.253 -1.437 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.422 -5.193 -0.564 1.00 4.53 C ATOM 1236 C LEU A 75 -4.236 -3.866 -1.315 1.00 24.52 C ATOM 1237 O LEU A 75 -4.523 -2.802 -0.752 1.00 41.55 O ATOM 1238 CB LEU A 75 -3.107 -5.614 0.122 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.251 -6.328 1.483 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.992 -5.472 2.518 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -3.917 -7.703 1.378 1.00 54.21 C ATOM 0 H LEU A 75 -4.275 -7.018 -1.593 1.00 65.10 H new ATOM 0 HA LEU A 75 -5.176 -5.033 0.207 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.562 -6.272 -0.555 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.494 -4.724 0.264 1.00 10.04 H new ATOM 0 HG LEU A 75 -2.227 -6.480 1.825 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -4.066 -6.020 3.457 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -3.444 -4.544 2.682 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -4.993 -5.243 2.151 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -3.987 -8.150 2.370 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -4.917 -7.592 0.958 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -3.322 -8.347 0.731 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.762 -3.892 -2.565 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.661 -2.679 -3.372 1.00 2.42 C ATOM 1255 C TRP A 76 -5.032 -2.048 -3.614 1.00 30.11 C ATOM 1256 O TRP A 76 -5.163 -0.835 -3.454 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.838 -2.915 -4.648 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.353 -2.776 -4.436 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.422 -3.730 -4.659 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.622 -1.645 -3.862 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.823 -3.278 -4.265 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.761 -1.979 -3.805 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.993 -0.398 -3.317 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.717 -1.101 -3.264 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 -0.052 0.457 -2.703 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.306 0.122 -2.716 1.00 33.11 C ATOM 0 H TRP A 76 -3.444 -4.739 -3.036 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.101 -1.936 -2.805 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -3.051 -3.914 -5.030 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.156 -2.207 -5.413 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.622 -4.703 -5.083 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.678 -3.833 -4.309 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -2.026 -0.088 -3.371 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.763 -1.368 -3.271 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.380 1.368 -2.224 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.036 0.804 -2.305 1.00 33.11 H new ATOM 1277 N ILE A 77 -6.046 -2.857 -3.930 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.430 -2.417 -4.075 1.00 32.02 C ATOM 1279 C ILE A 77 -7.880 -1.785 -2.758 1.00 35.11 C ATOM 1280 O ILE A 77 -8.360 -0.654 -2.778 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.336 -3.579 -4.539 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.927 -3.980 -5.972 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.830 -3.201 -4.502 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -8.530 -5.305 -6.439 1.00 32.44 C ATOM 0 H ILE A 77 -5.922 -3.856 -4.095 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.510 -1.660 -4.856 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.203 -4.416 -3.853 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -8.230 -3.191 -6.660 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.840 -4.048 -6.024 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.428 -4.049 -4.836 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.113 -2.936 -3.483 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -10.006 -2.350 -5.160 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -8.197 -5.519 -7.455 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -8.206 -6.106 -5.775 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -9.618 -5.236 -6.421 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.689 -2.491 -1.644 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.096 -2.087 -0.306 1.00 71.52 C ATOM 1298 C PHE A 78 -7.609 -0.674 0.020 1.00 63.24 C ATOM 1299 O PHE A 78 -8.407 0.163 0.442 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.588 -3.128 0.706 1.00 45.03 C ATOM 1301 CG PHE A 78 -7.989 -2.879 2.142 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.324 -3.095 2.530 1.00 64.41 C ATOM 1303 CD2 PHE A 78 -7.039 -2.456 3.096 1.00 11.10 C ATOM 1304 CE1 PHE A 78 -9.721 -2.872 3.857 1.00 14.45 C ATOM 1305 CE2 PHE A 78 -7.445 -2.228 4.423 1.00 12.10 C ATOM 1306 CZ PHE A 78 -8.785 -2.423 4.800 1.00 25.55 C ATOM 0 H PHE A 78 -7.226 -3.400 -1.654 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.184 -2.051 -0.250 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -7.955 -4.110 0.408 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.500 -3.164 0.650 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.047 -3.434 1.803 1.00 64.41 H new ATOM 0 HD2 PHE A 78 -6.008 -2.309 2.809 1.00 11.10 H new ATOM 0 HE1 PHE A 78 -10.745 -3.046 4.152 1.00 14.45 H new ATOM 0 HE2 PHE A 78 -6.723 -1.901 5.157 1.00 12.10 H new ATOM 0 HZ PHE A 78 -9.094 -2.227 5.816 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.315 -0.396 -0.161 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.788 0.933 0.148 1.00 72.11 C ATOM 1318 C VAL A 79 -6.379 1.962 -0.821 1.00 63.14 C ATOM 1319 O VAL A 79 -6.772 3.037 -0.368 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.248 0.930 0.170 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.640 2.306 0.480 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.762 -0.037 1.260 1.00 22.13 C ATOM 0 H VAL A 79 -5.626 -1.060 -0.513 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.096 1.222 1.153 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.928 0.632 -0.828 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.553 2.232 0.480 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.955 3.022 -0.279 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.980 2.642 1.459 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.672 -0.044 1.281 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.141 0.287 2.229 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.127 -1.041 1.045 1.00 22.13 H new ATOM 1332 N SER A 80 -6.513 1.633 -2.111 1.00 34.12 N ATOM 1333 CA SER A 80 -7.114 2.508 -3.128 1.00 61.41 C ATOM 1334 C SER A 80 -8.619 2.784 -2.939 1.00 21.53 C ATOM 1335 O SER A 80 -9.281 3.219 -3.886 1.00 43.34 O ATOM 1336 CB SER A 80 -6.780 1.997 -4.539 1.00 54.34 C ATOM 1337 OG SER A 80 -7.392 0.762 -4.852 1.00 43.03 O ATOM 0 H SER A 80 -6.202 0.737 -2.485 1.00 34.12 H new ATOM 0 HA SER A 80 -6.656 3.488 -2.993 1.00 61.41 H new ATOM 0 HB2 SER A 80 -7.091 2.743 -5.270 1.00 54.34 H new ATOM 0 HB3 SER A 80 -5.699 1.891 -4.632 1.00 54.34 H new ATOM 0 HG SER A 80 -7.910 0.449 -4.081 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.217 2.480 -1.783 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.491 3.073 -1.386 1.00 53.15 C ATOM 1345 C LYS A 81 -10.300 4.183 -0.363 1.00 44.31 C ATOM 1346 O LYS A 81 -11.013 5.177 -0.447 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.477 2.006 -0.888 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.335 1.456 -2.036 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.598 0.463 -2.952 1.00 70.23 C ATOM 1350 CE LYS A 81 -11.954 0.624 -4.436 1.00 21.01 C ATOM 1351 NZ LYS A 81 -11.481 1.908 -5.002 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.834 1.822 -1.104 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.928 3.528 -2.275 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.926 1.190 -0.420 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.123 2.435 -0.122 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -13.212 0.964 -1.616 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -12.695 2.290 -2.638 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.523 0.594 -2.827 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.834 -0.554 -2.638 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.518 -0.200 -5.001 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -13.035 0.556 -4.555 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -11.241 1.778 -6.005 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -12.231 2.623 -4.916 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -10.638 2.227 -4.483 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.360 4.055 0.574 1.00 71.53 N ATOM 1366 CA PHE A 82 -9.002 5.182 1.428 1.00 3.11 C ATOM 1367 C PHE A 82 -8.414 6.284 0.554 1.00 61.04 C ATOM 1368 O PHE A 82 -8.940 7.395 0.554 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.064 4.744 2.563 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.842 4.158 3.728 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -9.601 2.992 3.545 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -8.934 4.853 4.949 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -10.465 2.537 4.548 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -9.802 4.397 5.957 1.00 11.10 C ATOM 1375 CZ PHE A 82 -10.586 3.247 5.750 1.00 61.24 C ATOM 0 H PHE A 82 -8.841 3.196 0.758 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.889 5.577 1.924 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.356 4.005 2.188 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.481 5.599 2.906 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -9.518 2.440 2.621 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -8.337 5.738 5.112 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -11.040 1.636 4.395 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -9.867 4.931 6.893 1.00 11.10 H new ATOM 0 HZ PHE A 82 -11.276 2.914 6.512 1.00 61.24 H new ATOM 1385 N THR A 83 -7.365 5.983 -0.213 1.00 61.12 N ATOM 1386 CA THR A 83 -6.744 6.975 -1.078 1.00 12.22 C ATOM 1387 C THR A 83 -7.502 7.081 -2.406 1.00 51.24 C ATOM 1388 O THR A 83 -8.339 6.240 -2.747 1.00 21.11 O ATOM 1389 CB THR A 83 -5.242 6.663 -1.215 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.498 7.782 -1.666 1.00 14.11 O ATOM 1391 CG2 THR A 83 -4.936 5.480 -2.130 1.00 21.44 C ATOM 0 H THR A 83 -6.932 5.060 -0.250 1.00 61.12 H new ATOM 0 HA THR A 83 -6.810 7.970 -0.637 1.00 12.22 H new ATOM 0 HB THR A 83 -4.937 6.398 -0.203 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.458 8.456 -0.956 1.00 14.11 H new ATOM 0 HG21 THR A 83 -3.858 5.324 -2.175 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.417 4.583 -1.739 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.314 5.687 -3.131 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.175 8.123 -3.169 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.792 8.421 -4.454 1.00 74.01 C ATOM 1401 C GLU A 84 -7.075 7.699 -5.605 1.00 43.32 C ATOM 1402 O GLU A 84 -7.683 7.448 -6.647 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.787 9.943 -4.668 1.00 14.25 C ATOM 1404 CG GLU A 84 -8.599 10.660 -3.574 1.00 22.52 C ATOM 1405 CD GLU A 84 -8.845 12.144 -3.847 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -8.348 12.686 -4.865 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -9.520 12.792 -3.013 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.457 8.797 -2.902 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.820 8.058 -4.447 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -6.761 10.311 -4.663 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -8.205 10.177 -5.647 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -9.560 10.158 -3.463 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -8.075 10.559 -2.623 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.789 7.375 -5.444 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.983 6.724 -6.472 1.00 60.43 C ATOM 1416 C PHE A 85 -5.424 5.277 -6.656 1.00 31.05 C ATOM 1417 O PHE A 85 -5.422 4.510 -5.693 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.497 6.797 -6.097 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.851 8.118 -6.475 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -2.724 8.472 -7.832 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -2.396 9.007 -5.485 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -2.144 9.700 -8.195 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -1.786 10.220 -5.851 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.663 10.572 -7.205 1.00 71.12 C ATOM 0 H PHE A 85 -5.275 7.561 -4.583 1.00 73.53 H new ATOM 0 HA PHE A 85 -5.128 7.245 -7.418 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.391 6.642 -5.023 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.964 5.984 -6.590 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.074 7.796 -8.598 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -2.515 8.758 -4.441 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -2.068 9.973 -9.237 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -1.410 10.884 -5.087 1.00 70.20 H new ATOM 0 HZ PHE A 85 -1.201 11.508 -7.483 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.756 4.901 -7.896 1.00 63.21 N ATOM 1435 CA ASP A 86 -6.115 3.529 -8.239 1.00 42.44 C ATOM 1436 C ASP A 86 -4.959 2.585 -7.957 1.00 50.23 C ATOM 1437 O ASP A 86 -3.789 2.953 -8.029 1.00 3.02 O ATOM 1438 CB ASP A 86 -6.563 3.405 -9.704 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.457 1.984 -10.272 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.250 1.117 -9.834 1.00 54.44 O ATOM 1441 OD2 ASP A 86 -5.551 1.679 -11.088 1.00 23.14 O1- ATOM 0 H ASP A 86 -5.782 5.544 -8.688 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.960 3.248 -7.610 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -7.596 3.742 -9.787 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.959 4.075 -10.316 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.316 1.329 -7.731 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.432 0.231 -7.376 1.00 54.34 C ATOM 1448 C ALA A 87 -3.201 0.138 -8.292 1.00 42.15 C ATOM 1449 O ALA A 87 -2.102 -0.157 -7.814 1.00 54.10 O ATOM 1450 CB ALA A 87 -5.238 -1.073 -7.407 1.00 13.05 C ATOM 0 H ALA A 87 -6.290 1.033 -7.795 1.00 34.50 H new ATOM 0 HA ALA A 87 -4.044 0.412 -6.374 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.589 -1.908 -7.143 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -6.059 -1.011 -6.692 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.640 -1.229 -8.408 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.341 0.375 -9.607 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.185 0.361 -10.510 1.00 71.23 C ATOM 1458 C ARG A 88 -1.289 1.565 -10.248 1.00 35.22 C ATOM 1459 O ARG A 88 -0.070 1.400 -10.199 1.00 74.21 O ATOM 1460 CB ARG A 88 -2.606 0.359 -11.988 1.00 33.21 C ATOM 1461 CG ARG A 88 -3.337 -0.915 -12.431 1.00 42.33 C ATOM 1462 CD ARG A 88 -3.777 -0.734 -13.888 1.00 12.42 C ATOM 1463 NE ARG A 88 -4.555 -1.872 -14.402 1.00 52.53 N ATOM 1464 CZ ARG A 88 -4.094 -2.886 -15.143 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -2.791 -3.086 -15.311 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -4.960 -3.695 -15.730 1.00 13.42 N ATOM 0 H ARG A 88 -4.232 0.576 -10.061 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.638 -0.560 -10.309 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.252 1.218 -12.172 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -1.719 0.489 -12.607 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -2.682 -1.781 -12.337 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -4.202 -1.098 -11.793 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -4.375 0.174 -13.971 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -2.895 -0.593 -14.513 1.00 12.42 H new ATOM 0 HE ARG A 88 -5.548 -1.890 -14.169 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -2.118 -2.459 -14.870 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -2.464 -3.866 -15.881 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -5.962 -3.541 -15.614 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -4.626 -4.473 -16.299 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.865 2.768 -10.153 1.00 15.10 N ATOM 1481 CA LYS A 89 -1.110 3.995 -9.908 1.00 14.14 C ATOM 1482 C LYS A 89 -0.407 3.904 -8.558 1.00 2.34 C ATOM 1483 O LYS A 89 0.762 4.264 -8.475 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.999 5.251 -9.997 1.00 41.42 C ATOM 1485 CG LYS A 89 -1.989 5.901 -11.392 1.00 43.13 C ATOM 1486 CD LYS A 89 -2.715 5.081 -12.469 1.00 64.32 C ATOM 1487 CE LYS A 89 -2.619 5.722 -13.865 1.00 13.54 C ATOM 1488 NZ LYS A 89 -3.566 6.837 -14.084 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.870 2.915 -10.244 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.359 4.095 -10.692 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -3.023 4.983 -9.735 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.662 5.980 -9.261 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.452 6.886 -11.326 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -0.956 6.055 -11.702 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -2.291 4.078 -12.504 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -3.764 4.974 -12.194 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -1.603 6.087 -14.016 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -2.797 4.955 -14.618 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -3.441 7.215 -15.045 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -4.541 6.492 -13.972 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -3.384 7.589 -13.389 1.00 75.22 H new ATOM 1502 N LEU A 90 -1.075 3.392 -7.527 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.513 3.207 -6.201 1.00 62.33 C ATOM 1504 C LEU A 90 0.676 2.248 -6.241 1.00 70.22 C ATOM 1505 O LEU A 90 1.766 2.604 -5.803 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.604 2.706 -5.248 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.710 3.569 -3.984 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -2.788 2.951 -3.102 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.370 3.788 -3.268 1.00 43.35 C ATOM 0 H LEU A 90 -2.046 3.088 -7.597 1.00 2.34 H new ATOM 0 HA LEU A 90 -0.142 4.164 -5.834 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.563 2.704 -5.766 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -1.392 1.675 -4.965 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.999 4.584 -4.256 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -2.893 3.539 -2.190 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.736 2.942 -3.639 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.507 1.930 -2.845 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -0.526 4.407 -2.385 1.00 43.35 H new ATOM 0 HD22 LEU A 90 0.044 2.825 -2.968 1.00 43.35 H new ATOM 0 HD23 LEU A 90 0.326 4.287 -3.942 1.00 43.35 H new ATOM 1521 N HIS A 91 0.494 1.042 -6.789 1.00 11.24 N ATOM 1522 CA HIS A 91 1.567 0.056 -6.872 1.00 44.30 C ATOM 1523 C HIS A 91 2.792 0.620 -7.598 1.00 65.40 C ATOM 1524 O HIS A 91 3.918 0.455 -7.123 1.00 62.10 O ATOM 1525 CB HIS A 91 1.083 -1.232 -7.553 1.00 74.21 C ATOM 1526 CG HIS A 91 2.137 -2.318 -7.580 1.00 23.33 C ATOM 1527 ND1 HIS A 91 2.775 -2.836 -6.477 1.00 12.20 N ATOM 1528 CD2 HIS A 91 2.618 -2.983 -8.678 1.00 63.15 C ATOM 1529 CE1 HIS A 91 3.575 -3.829 -6.891 1.00 30.45 C ATOM 1530 NE2 HIS A 91 3.532 -3.947 -8.229 1.00 10.32 N ATOM 0 H HIS A 91 -0.393 0.728 -7.183 1.00 11.24 H new ATOM 0 HA HIS A 91 1.864 -0.187 -5.852 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.200 -1.603 -7.032 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.778 -1.004 -8.574 1.00 74.21 H new ATOM 0 HD1 HIS A 91 2.660 -2.520 -5.514 1.00 12.20 H new ATOM 0 HD2 HIS A 91 2.342 -2.798 -9.706 1.00 63.15 H new ATOM 0 HE1 HIS A 91 4.172 -4.449 -6.239 1.00 30.45 H new ATOM 1538 N LYS A 92 2.599 1.269 -8.755 1.00 0.33 N ATOM 1539 CA LYS A 92 3.734 1.810 -9.501 1.00 62.41 C ATOM 1540 C LYS A 92 4.368 2.991 -8.765 1.00 4.02 C ATOM 1541 O LYS A 92 5.596 3.083 -8.760 1.00 61.24 O ATOM 1542 CB LYS A 92 3.362 2.116 -10.960 1.00 22.30 C ATOM 1543 CG LYS A 92 2.496 3.362 -11.175 1.00 2.40 C ATOM 1544 CD LYS A 92 2.031 3.564 -12.624 1.00 24.33 C ATOM 1545 CE LYS A 92 1.141 2.410 -13.106 1.00 65.23 C ATOM 1546 NZ LYS A 92 1.799 1.589 -14.141 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.687 1.428 -9.184 1.00 0.33 H new ATOM 0 HA LYS A 92 4.505 1.042 -9.555 1.00 62.41 H new ATOM 0 HB2 LYS A 92 4.281 2.231 -11.534 1.00 22.30 H new ATOM 0 HB3 LYS A 92 2.836 1.254 -11.370 1.00 22.30 H new ATOM 0 HG2 LYS A 92 1.620 3.297 -10.530 1.00 2.40 H new ATOM 0 HG3 LYS A 92 3.059 4.241 -10.860 1.00 2.40 H new ATOM 0 HD2 LYS A 92 1.482 4.503 -12.702 1.00 24.33 H new ATOM 0 HD3 LYS A 92 2.901 3.648 -13.276 1.00 24.33 H new ATOM 0 HE2 LYS A 92 0.878 1.778 -12.258 1.00 65.23 H new ATOM 0 HE3 LYS A 92 0.210 2.814 -13.504 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 1.160 0.823 -14.435 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 2.027 2.184 -14.963 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 2.674 1.181 -13.756 1.00 43.32 H new ATOM 1560 N LEU A 93 3.565 3.841 -8.110 1.00 63.33 N ATOM 1561 CA LEU A 93 4.038 4.935 -7.272 1.00 20.11 C ATOM 1562 C LEU A 93 4.937 4.376 -6.182 1.00 43.43 C ATOM 1563 O LEU A 93 6.049 4.865 -6.035 1.00 62.13 O ATOM 1564 CB LEU A 93 2.865 5.729 -6.664 1.00 1.11 C ATOM 1565 CG LEU A 93 3.290 6.830 -5.672 1.00 52.21 C ATOM 1566 CD1 LEU A 93 4.139 7.914 -6.346 1.00 23.33 C ATOM 1567 CD2 LEU A 93 2.037 7.457 -5.055 1.00 24.41 C ATOM 0 H LEU A 93 2.548 3.780 -8.154 1.00 63.33 H new ATOM 0 HA LEU A 93 4.607 5.630 -7.890 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.293 6.185 -7.472 1.00 1.11 H new ATOM 0 HB3 LEU A 93 2.197 5.035 -6.154 1.00 1.11 H new ATOM 0 HG LEU A 93 3.905 6.372 -4.898 1.00 52.21 H new ATOM 0 HD11 LEU A 93 4.416 8.669 -5.610 1.00 23.33 H new ATOM 0 HD12 LEU A 93 5.041 7.464 -6.761 1.00 23.33 H new ATOM 0 HD13 LEU A 93 3.565 8.381 -7.146 1.00 23.33 H new ATOM 0 HD21 LEU A 93 2.329 8.237 -4.352 1.00 24.41 H new ATOM 0 HD22 LEU A 93 1.421 7.891 -5.843 1.00 24.41 H new ATOM 0 HD23 LEU A 93 1.467 6.690 -4.530 1.00 24.41 H new ATOM 1579 N TYR A 94 4.487 3.357 -5.446 1.00 62.42 N ATOM 1580 CA TYR A 94 5.286 2.677 -4.438 1.00 42.52 C ATOM 1581 C TYR A 94 6.596 2.176 -5.034 1.00 73.20 C ATOM 1582 O TYR A 94 7.668 2.527 -4.539 1.00 63.02 O ATOM 1583 CB TYR A 94 4.485 1.546 -3.781 1.00 5.32 C ATOM 1584 CG TYR A 94 5.352 0.658 -2.911 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.841 1.149 -1.688 1.00 12.54 C ATOM 1586 CD2 TYR A 94 5.753 -0.614 -3.365 1.00 3.30 C ATOM 1587 CE1 TYR A 94 6.754 0.394 -0.932 1.00 73.21 C ATOM 1588 CE2 TYR A 94 6.637 -1.393 -2.595 1.00 21.21 C ATOM 1589 CZ TYR A 94 7.159 -0.882 -1.384 1.00 54.02 C ATOM 1590 OH TYR A 94 8.049 -1.621 -0.667 1.00 52.45 O ATOM 0 H TYR A 94 3.544 2.980 -5.539 1.00 62.42 H new ATOM 0 HA TYR A 94 5.539 3.392 -3.655 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.685 1.974 -3.177 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.011 0.942 -4.555 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.513 2.113 -1.327 1.00 12.54 H new ATOM 0 HD2 TYR A 94 5.381 -0.992 -4.306 1.00 3.30 H new ATOM 0 HE1 TYR A 94 7.146 0.789 -0.006 1.00 73.21 H new ATOM 0 HE2 TYR A 94 6.917 -2.381 -2.929 1.00 21.21 H new ATOM 0 HH TYR A 94 8.212 -2.472 -1.125 1.00 52.45 H new ATOM 1600 N LYS A 95 6.521 1.368 -6.095 1.00 41.45 N ATOM 1601 CA LYS A 95 7.701 0.721 -6.653 1.00 54.30 C ATOM 1602 C LYS A 95 8.734 1.763 -7.103 1.00 22.23 C ATOM 1603 O LYS A 95 9.924 1.584 -6.853 1.00 35.23 O ATOM 1604 CB LYS A 95 7.276 -0.262 -7.756 1.00 32.21 C ATOM 1605 CG LYS A 95 8.323 -1.373 -7.934 1.00 61.25 C ATOM 1606 CD LYS A 95 7.934 -2.388 -9.018 1.00 54.15 C ATOM 1607 CE LYS A 95 6.743 -3.307 -8.704 1.00 22.41 C ATOM 1608 NZ LYS A 95 7.042 -4.306 -7.654 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.652 1.149 -6.582 1.00 41.45 H new ATOM 0 HA LYS A 95 8.205 0.131 -5.887 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.312 -0.703 -7.504 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.146 0.274 -8.696 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.283 -0.924 -8.190 1.00 61.25 H new ATOM 0 HG3 LYS A 95 8.458 -1.894 -6.986 1.00 61.25 H new ATOM 0 HD2 LYS A 95 7.710 -1.840 -9.933 1.00 54.15 H new ATOM 0 HD3 LYS A 95 8.802 -3.014 -9.226 1.00 54.15 H new ATOM 0 HE2 LYS A 95 5.896 -2.699 -8.388 1.00 22.41 H new ATOM 0 HE3 LYS A 95 6.441 -3.825 -9.614 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 6.202 -4.896 -7.486 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 7.832 -4.908 -7.963 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 7.303 -3.817 -6.774 1.00 12.11 H new ATOM 1622 N HIS A 96 8.303 2.872 -7.710 1.00 2.14 N ATOM 1623 CA HIS A 96 9.198 3.979 -8.040 1.00 2.00 C ATOM 1624 C HIS A 96 9.690 4.697 -6.780 1.00 64.43 C ATOM 1625 O HIS A 96 10.888 4.915 -6.648 1.00 42.32 O ATOM 1626 CB HIS A 96 8.531 4.932 -9.045 1.00 24.51 C ATOM 1627 CG HIS A 96 8.727 4.488 -10.479 1.00 14.41 C ATOM 1628 ND1 HIS A 96 8.977 5.311 -11.557 1.00 42.35 N ATOM 1629 CD2 HIS A 96 8.825 3.195 -10.923 1.00 62.44 C ATOM 1630 CE1 HIS A 96 9.210 4.533 -12.625 1.00 43.34 C ATOM 1631 NE2 HIS A 96 9.112 3.233 -12.292 1.00 62.31 N ATOM 0 H HIS A 96 7.332 3.025 -7.984 1.00 2.14 H new ATOM 0 HA HIS A 96 10.086 3.573 -8.524 1.00 2.00 H new ATOM 0 HB2 HIS A 96 7.464 4.994 -8.829 1.00 24.51 H new ATOM 0 HB3 HIS A 96 8.941 5.934 -8.919 1.00 24.51 H new ATOM 0 HD2 HIS A 96 8.703 2.305 -10.323 1.00 62.44 H new ATOM 0 HE1 HIS A 96 9.444 4.899 -13.614 1.00 43.34 H new ATOM 0 HE2 HIS A 96 9.225 2.433 -12.915 1.00 62.31 H new ATOM 1639 N ALA A 97 8.814 5.022 -5.827 1.00 74.32 N ATOM 1640 CA ALA A 97 9.162 5.727 -4.594 1.00 62.11 C ATOM 1641 C ALA A 97 10.192 4.978 -3.742 1.00 21.45 C ATOM 1642 O ALA A 97 10.892 5.625 -2.956 1.00 62.01 O ATOM 1643 CB ALA A 97 7.905 6.000 -3.766 1.00 12.11 C ATOM 0 H ALA A 97 7.821 4.797 -5.894 1.00 74.32 H new ATOM 0 HA ALA A 97 9.622 6.668 -4.896 1.00 62.11 H new ATOM 0 HB1 ALA A 97 8.179 6.525 -2.851 1.00 12.11 H new ATOM 0 HB2 ALA A 97 7.215 6.614 -4.344 1.00 12.11 H new ATOM 0 HB3 ALA A 97 7.424 5.055 -3.512 1.00 12.11 H new ATOM 1649 N ILE A 98 10.311 3.653 -3.893 1.00 4.01 N ATOM 1650 CA ILE A 98 11.371 2.883 -3.256 1.00 65.43 C ATOM 1651 C ILE A 98 12.615 2.783 -4.151 1.00 70.52 C ATOM 1652 O ILE A 98 13.727 2.986 -3.658 1.00 31.14 O ATOM 1653 CB ILE A 98 10.818 1.537 -2.731 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.773 0.883 -1.717 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.455 0.515 -3.815 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.886 1.694 -0.423 1.00 25.45 C ATOM 0 H ILE A 98 9.675 3.092 -4.459 1.00 4.01 H new ATOM 0 HA ILE A 98 11.728 3.411 -2.372 1.00 65.43 H new ATOM 0 HB ILE A 98 9.884 1.816 -2.243 1.00 34.23 H new ATOM 0 HG12 ILE A 98 11.421 -0.122 -1.484 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.761 0.779 -2.166 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.077 -0.394 -3.346 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.688 0.933 -4.467 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.341 0.278 -4.403 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.571 1.193 0.262 1.00 25.45 H new ATOM 0 HD12 ILE A 98 12.264 2.691 -0.650 1.00 25.45 H new ATOM 0 HD13 ILE A 98 10.904 1.776 0.042 1.00 25.45 H new ATOM 1668 N LYS A 99 12.453 2.532 -5.458 1.00 65.44 N ATOM 1669 CA LYS A 99 13.572 2.452 -6.411 1.00 2.32 C ATOM 1670 C LYS A 99 14.331 3.772 -6.560 1.00 44.52 C ATOM 1671 O LYS A 99 15.530 3.721 -6.820 1.00 12.43 O ATOM 1672 CB LYS A 99 13.078 1.989 -7.794 1.00 70.12 C ATOM 1673 CG LYS A 99 12.885 0.466 -7.899 1.00 70.31 C ATOM 1674 CD LYS A 99 14.177 -0.286 -8.276 1.00 52.12 C ATOM 1675 CE LYS A 99 13.881 -1.790 -8.347 1.00 11.33 C ATOM 1676 NZ LYS A 99 14.632 -2.505 -9.404 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.540 2.378 -5.886 1.00 65.44 H new ATOM 0 HA LYS A 99 14.266 1.720 -5.998 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.133 2.483 -8.017 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.792 2.310 -8.552 1.00 70.12 H new ATOM 0 HG2 LYS A 99 12.517 0.087 -6.946 1.00 70.31 H new ATOM 0 HG3 LYS A 99 12.118 0.254 -8.644 1.00 70.31 H new ATOM 0 HD2 LYS A 99 14.552 0.069 -9.236 1.00 52.12 H new ATOM 0 HD3 LYS A 99 14.955 -0.090 -7.538 1.00 52.12 H new ATOM 0 HE2 LYS A 99 14.114 -2.241 -7.382 1.00 11.33 H new ATOM 0 HE3 LYS A 99 12.813 -1.932 -8.516 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 14.378 -3.513 -9.388 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 14.393 -2.102 -10.333 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 15.653 -2.402 -9.235 1.00 60.11 H new ATOM 1690 N LYS A 100 13.679 4.933 -6.417 1.00 42.13 N ATOM 1691 CA LYS A 100 14.334 6.241 -6.508 1.00 4.50 C ATOM 1692 C LYS A 100 15.402 6.384 -5.435 1.00 64.53 C ATOM 1693 O LYS A 100 16.581 6.491 -5.762 1.00 65.31 O ATOM 1694 CB LYS A 100 13.323 7.405 -6.523 1.00 23.44 C ATOM 1695 CG LYS A 100 12.241 7.481 -5.431 1.00 42.32 C ATOM 1696 CD LYS A 100 12.438 8.541 -4.335 1.00 74.15 C ATOM 1697 CE LYS A 100 12.247 9.990 -4.802 1.00 14.21 C ATOM 1698 NZ LYS A 100 12.434 10.935 -3.678 1.00 55.41 N1+ ATOM 0 H LYS A 100 12.677 4.990 -6.234 1.00 42.13 H new ATOM 0 HA LYS A 100 14.842 6.296 -7.471 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.893 8.333 -6.484 1.00 23.44 H new ATOM 0 HB3 LYS A 100 12.814 7.384 -7.487 1.00 23.44 H new ATOM 0 HG2 LYS A 100 11.282 7.666 -5.915 1.00 42.32 H new ATOM 0 HG3 LYS A 100 12.173 6.505 -4.951 1.00 42.32 H new ATOM 0 HD2 LYS A 100 11.738 8.340 -3.524 1.00 74.15 H new ATOM 0 HD3 LYS A 100 13.442 8.436 -3.923 1.00 74.15 H new ATOM 0 HE2 LYS A 100 12.958 10.217 -5.596 1.00 14.21 H new ATOM 0 HE3 LYS A 100 11.249 10.112 -5.223 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 12.300 11.909 -4.017 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 11.739 10.729 -2.932 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 13.395 10.831 -3.294 1.00 55.41 H new ATOM 1712 N ARG A 101 14.975 6.304 -4.174 1.00 13.00 N ATOM 1713 CA ARG A 101 15.836 6.211 -2.994 1.00 21.24 C ATOM 1714 C ARG A 101 16.914 5.156 -3.239 1.00 32.44 C ATOM 1715 O ARG A 101 18.106 5.453 -3.232 1.00 41.23 O ATOM 1716 CB ARG A 101 15.002 5.860 -1.741 1.00 43.10 C ATOM 1717 CG ARG A 101 14.076 6.955 -1.189 1.00 13.42 C ATOM 1718 CD ARG A 101 14.817 8.114 -0.506 1.00 31.55 C ATOM 1719 NE ARG A 101 15.254 7.800 0.870 1.00 14.22 N ATOM 1720 CZ ARG A 101 16.115 8.529 1.596 1.00 32.10 C ATOM 1721 NH1 ARG A 101 16.723 9.580 1.060 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 16.363 8.222 2.863 1.00 74.22 N ATOM 0 H ARG A 101 13.983 6.302 -3.938 1.00 13.00 H new ATOM 0 HA ARG A 101 16.313 7.175 -2.818 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.393 4.987 -1.974 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.690 5.567 -0.948 1.00 43.10 H new ATOM 0 HG2 ARG A 101 13.474 7.353 -2.006 1.00 13.42 H new ATOM 0 HG3 ARG A 101 13.386 6.507 -0.474 1.00 13.42 H new ATOM 0 HD2 ARG A 101 15.688 8.381 -1.104 1.00 31.55 H new ATOM 0 HD3 ARG A 101 14.166 8.988 -0.482 1.00 31.55 H new ATOM 0 HE ARG A 101 14.870 6.960 1.303 1.00 14.22 H new ATOM 0 HH11 ARG A 101 16.537 9.838 0.091 1.00 32.33 H new ATOM 0 HH12 ARG A 101 17.377 10.130 1.617 1.00 32.33 H new ATOM 0 HH21 ARG A 101 15.897 7.424 3.295 1.00 74.22 H new ATOM 0 HH22 ARG A 101 17.020 8.784 3.405 1.00 74.22 H new ATOM 1736 N GLN A 102 16.478 3.915 -3.457 1.00 34.41 N ATOM 1737 CA GLN A 102 17.300 2.712 -3.567 1.00 70.10 C ATOM 1738 C GLN A 102 18.103 2.373 -2.301 1.00 61.44 C ATOM 1739 O GLN A 102 18.863 1.406 -2.291 1.00 72.53 O ATOM 1740 CB GLN A 102 18.193 2.809 -4.817 1.00 2.55 C ATOM 1741 CG GLN A 102 18.583 1.444 -5.395 1.00 72.35 C ATOM 1742 CD GLN A 102 20.073 1.391 -5.704 1.00 41.42 C ATOM 1743 OE1 GLN A 102 20.484 1.571 -6.850 1.00 50.15 O ATOM 1744 NE2 GLN A 102 20.887 1.173 -4.686 1.00 20.33 N ATOM 0 H GLN A 102 15.485 3.712 -3.568 1.00 34.41 H new ATOM 0 HA GLN A 102 16.617 1.870 -3.677 1.00 70.10 H new ATOM 0 HB2 GLN A 102 17.672 3.384 -5.583 1.00 2.55 H new ATOM 0 HB3 GLN A 102 19.099 3.361 -4.565 1.00 2.55 H new ATOM 0 HG2 GLN A 102 18.326 0.657 -4.686 1.00 72.35 H new ATOM 0 HG3 GLN A 102 18.012 1.253 -6.304 1.00 72.35 H new ATOM 0 HE21 GLN A 102 20.507 1.028 -3.751 1.00 20.33 H new ATOM 0 HE22 GLN A 102 21.896 1.149 -4.836 1.00 20.33 H new ATOM 1753 N GLU A 103 17.885 3.120 -1.224 1.00 12.25 N ATOM 1754 CA GLU A 103 18.789 3.246 -0.077 1.00 25.11 C ATOM 1755 C GLU A 103 18.075 3.152 1.281 1.00 60.21 C ATOM 1756 O GLU A 103 18.721 3.159 2.332 1.00 74.11 O ATOM 1757 CB GLU A 103 19.581 4.565 -0.234 1.00 24.43 C ATOM 1758 CG GLU A 103 18.753 5.846 0.018 1.00 2.13 C ATOM 1759 CD GLU A 103 19.210 7.079 -0.784 1.00 32.20 C ATOM 1760 OE1 GLU A 103 20.427 7.338 -0.920 1.00 72.01 O ATOM 1761 OE2 GLU A 103 18.337 7.820 -1.298 1.00 44.44 O1- ATOM 0 H GLU A 103 17.039 3.680 -1.118 1.00 12.25 H new ATOM 0 HA GLU A 103 19.473 2.397 -0.076 1.00 25.11 H new ATOM 0 HB2 GLU A 103 20.424 4.552 0.456 1.00 24.43 H new ATOM 0 HB3 GLU A 103 19.994 4.608 -1.242 1.00 24.43 H new ATOM 0 HG2 GLU A 103 17.710 5.640 -0.222 1.00 2.13 H new ATOM 0 HG3 GLU A 103 18.795 6.085 1.081 1.00 2.13 H new ATOM 1768 N SER A 104 16.746 3.049 1.249 1.00 64.23 N ATOM 1769 CA SER A 104 15.843 3.297 2.370 1.00 2.21 C ATOM 1770 C SER A 104 15.994 2.280 3.504 1.00 64.02 C ATOM 1771 O SER A 104 15.488 1.163 3.382 1.00 13.35 O ATOM 1772 CB SER A 104 14.387 3.306 1.889 1.00 15.03 C ATOM 1773 OG SER A 104 14.211 4.140 0.761 1.00 22.12 O ATOM 0 H SER A 104 16.248 2.778 0.401 1.00 64.23 H new ATOM 0 HA SER A 104 16.117 4.273 2.771 1.00 2.21 H new ATOM 0 HB2 SER A 104 14.080 2.290 1.641 1.00 15.03 H new ATOM 0 HB3 SER A 104 13.740 3.646 2.697 1.00 15.03 H new ATOM 0 HG SER A 104 13.254 4.246 0.579 1.00 22.12 H new ATOM 1779 N GLN A 105 16.660 2.640 4.598 1.00 14.34 N ATOM 1780 CA GLN A 105 16.644 1.916 5.857 1.00 24.32 C ATOM 1781 C GLN A 105 16.996 2.866 6.999 1.00 1.12 C ATOM 1782 O GLN A 105 17.824 3.763 6.796 1.00 74.43 O ATOM 1783 CB GLN A 105 17.644 0.764 5.736 1.00 3.52 C ATOM 1784 CG GLN A 105 19.126 1.158 5.649 1.00 44.01 C ATOM 1785 CD GLN A 105 19.837 1.191 6.998 1.00 2.34 C ATOM 1786 OE1 GLN A 105 19.763 0.250 7.783 1.00 35.04 O ATOM 1787 NE2 GLN A 105 20.588 2.241 7.281 1.00 3.01 N ATOM 0 H GLN A 105 17.245 3.475 4.629 1.00 14.34 H new ATOM 0 HA GLN A 105 15.656 1.510 6.075 1.00 24.32 H new ATOM 0 HB2 GLN A 105 17.514 0.106 6.595 1.00 3.52 H new ATOM 0 HB3 GLN A 105 17.391 0.183 4.849 1.00 3.52 H new ATOM 0 HG2 GLN A 105 19.641 0.454 4.995 1.00 44.01 H new ATOM 0 HG3 GLN A 105 19.204 2.141 5.184 1.00 44.01 H new ATOM 0 HE21 GLN A 105 20.645 3.019 6.624 1.00 3.01 H new ATOM 0 HE22 GLN A 105 21.111 2.273 8.156 1.00 3.01 H new ATOM 1796 N GLN A 106 16.454 2.615 8.198 1.00 52.33 N ATOM 1797 CA GLN A 106 16.689 3.406 9.411 1.00 11.21 C ATOM 1798 C GLN A 106 16.309 4.879 9.226 1.00 2.01 C ATOM 1799 O GLN A 106 15.851 5.275 8.156 1.00 54.13 O ATOM 1800 CB GLN A 106 18.159 3.210 9.873 1.00 23.02 C ATOM 1801 CG GLN A 106 18.311 2.301 11.090 1.00 32.41 C ATOM 1802 CD GLN A 106 17.501 1.014 10.970 1.00 50.04 C ATOM 1803 OE1 GLN A 106 16.502 0.863 11.673 1.00 40.21 O ATOM 1804 NE2 GLN A 106 17.844 0.119 10.061 1.00 32.23 N ATOM 0 H GLN A 106 15.820 1.831 8.354 1.00 52.33 H new ATOM 0 HA GLN A 106 16.033 3.045 10.203 1.00 11.21 H new ATOM 0 HB2 GLN A 106 18.736 2.794 9.047 1.00 23.02 H new ATOM 0 HB3 GLN A 106 18.590 4.184 10.104 1.00 23.02 H new ATOM 0 HG2 GLN A 106 19.364 2.052 11.222 1.00 32.41 H new ATOM 0 HG3 GLN A 106 17.997 2.841 11.983 1.00 32.41 H new ATOM 0 HE21 GLN A 106 18.676 0.265 9.490 1.00 32.23 H new ATOM 0 HE22 GLN A 106 17.277 -0.718 9.930 1.00 32.23 H new ATOM 1813 N ASN A 107 16.536 5.699 10.259 1.00 32.25 N ATOM 1814 CA ASN A 107 16.309 7.142 10.250 1.00 60.35 C ATOM 1815 C ASN A 107 14.848 7.464 9.924 1.00 23.12 C ATOM 1816 O ASN A 107 14.506 7.723 8.770 1.00 75.20 O ATOM 1817 CB ASN A 107 17.317 7.827 9.316 1.00 44.30 C ATOM 1818 CG ASN A 107 17.202 9.336 9.419 1.00 2.23 C ATOM 1819 OD1 ASN A 107 17.839 9.941 10.272 1.00 42.51 O ATOM 1820 ND2 ASN A 107 16.419 9.970 8.562 1.00 50.11 N ATOM 0 H ASN A 107 16.895 5.361 11.152 1.00 32.25 H new ATOM 0 HA ASN A 107 16.483 7.547 11.247 1.00 60.35 H new ATOM 0 HB2 ASN A 107 18.329 7.516 9.574 1.00 44.30 H new ATOM 0 HB3 ASN A 107 17.139 7.513 8.287 1.00 44.30 H new ATOM 0 HD21 ASN A 107 16.336 10.986 8.603 1.00 50.11 H new ATOM 0 HD22 ASN A 107 15.899 9.443 7.861 1.00 50.11 H new ATOM 1827 N SER A 108 13.981 7.424 10.939 1.00 10.55 N ATOM 1828 CA SER A 108 12.617 6.920 10.784 1.00 41.44 C ATOM 1829 C SER A 108 12.683 5.544 10.123 1.00 63.20 C ATOM 1830 O SER A 108 13.524 4.744 10.582 1.00 75.32 O ATOM 1831 CB SER A 108 11.701 7.921 10.064 1.00 45.42 C ATOM 1832 OG SER A 108 11.694 9.179 10.729 1.00 34.25 O ATOM 0 H SER A 108 14.204 7.738 11.884 1.00 10.55 H new ATOM 0 HA SER A 108 12.150 6.802 11.762 1.00 41.44 H new ATOM 0 HB2 SER A 108 12.037 8.052 9.035 1.00 45.42 H new ATOM 0 HB3 SER A 108 10.687 7.524 10.020 1.00 45.42 H new ATOM 0 HG SER A 108 11.105 9.799 10.250 1.00 34.25 H new TER 1838 SER A 108